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Sample records for site substitution behavior

  1. Substitution in recreation choice behavior

    Science.gov (United States)

    George L. Peterson; Daniel J. Stynes; Donald H. Rosenthal; John F. Dwyer

    1985-01-01

    This review discusses concepts and theories of substitution in recreation choice. It brings together the literature of recreation research, psychology, geography, economics, and transportation. Parallel and complementary developments need integration into an improved theory of substitution. Recreation decision behavior is characterized as a nested or sequential choice...

  2. Behavioral service substitution (Chapter 9)

    NARCIS (Netherlands)

    Stahl, C.; Aalst, van der W.M.P.; Bouguettaya, A.; Sheng, Q.Z.; Daniel, F.

    2014-01-01

    Service-oriented design supports system evolution and encourages reuse and modularization. A key ingredient of service orientation is the ability to substitute one service by another without reconfiguring the overall system. This chapter aims to give an overview of the state of the art and open

  3. Calculated site substitution in ternary gamma'-Ni3Al: Temperature and composition effects

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt

    1997-01-01

    -tin orbitals method in conjunction with the local-density and multisublattice coherent-potential approximations and include all 3d, 4d, 5d, and noble metals. The calculations show the existence of simple trends in the alloying behavior of the gamma' phase which may be explained in a Friedel-like model based...... on the interaction between Ni and the added species. It is shown that the commonly accepted interpretation of the site substitution behavior of Cu and Pd may be incorrect because of site substitution reversal at high temperatures. It is further shown that the direction of the solubility lobe in the ternary phase...

  4. Arsenic in ZnO and GaN: substitutional cation or anion sites?

    CERN Document Server

    Wahl, Ulrich; Rita, Elisabete; Marques, Ana Claudia; Alves, Eduardo; Carvalho Soares, José

    2007-01-01

    We have determined the lattice location of ion implanted As in ZnO and GaN by means of conversion electron emission channeling from radioactive $^{73}$As. In contrast to what one might expect from its nature as a group V element, we find that As does not occupy substitutional O sites in ZnO but in its large majority substitutional Zn sites. Arsenic in ZnO is thus an interesting example for an impurity in a semiconductor where the major impurity lattice site is determined by atomic size and electronegativity rather than its position in the periodic system. In contrast, in GaN the preference of As for substitutional cation sites is less pronounced and about half of the implanted As atoms occupy Ga and the other half N sites. Apparently, the smaller size-mismatch between As and N and the chemical similarity of both elements make it feasible that As partly substitutes for N atoms.

  5. Effects of site substitution and metal ion addition on doped manganites

    CERN Document Server

    Pradhan, A K; Roul, B K; Sahu, D R; Muralidhar, M

    2002-01-01

    We report transport, magnetization and transmission electron microscopy studies of the effects of A-and B-site substitution, and the addition of metal ions such as Pt, Ag and Sr, on doped ABO sub 3 perovskites, where A = La, Pr etc and B = Mn. Disorder induced by such substitution changes the behaviour of the charge-ordered (CO) state significantly. A-and B-site substitution suppresses the CO phase due to size mismatch and disorder produced by inhomogeneity. On the other hand, addition of metal ions such as Pt and Ag improves several colossal-magnetoresistance properties significantly due to microstructural effects and enhanced current percolation through grain boundaries.

  6. Amphoteric Be in GaN: Experimental Evidence for Switching between Substitutional and Interstitial Lattice Sites

    Science.gov (United States)

    Tuomisto, Filip; Prozheeva, Vera; Makkonen, Ilja; Myers, Thomas H.; Bockowski, Michal; Teisseyre, Henryk

    2017-11-01

    We show that Be exhibits amphoteric behavior in GaN, involving switching between substitutional and interstitial positions in the lattice. This behavior is observed through the dominance of BeGa in the positron annihilation signals in Be-doped GaN, while the emergence of VGa at high temperatures is a consequence of the Be impurities being driven to interstitial positions. The similarity of this behavior to that found for Na and Li in ZnO suggests that this could be a universal property of light dopants substituting for heavy cations in compound semiconductors.

  7. The interaction of substituted benzamides with brain benzodiazepine binding sites in vitro.

    OpenAIRE

    Horton, R. W.; Lowther, S.; Chivers, J.; Jenner, P.; Marsden, C. D.; Testa, B.

    1988-01-01

    1. The interaction of substituted benzamides with brain benzodiazepine (BDZ) binding sites was examined by their ability to displace [3H]-flunitrazepam ([3H]-FNM) from specific binding sites in bovine cortical membranes in vitro. 2. Clebopride, Delagrange 2674, Delagrange 2335 and BRL 20627 displayed concentration-dependent displacement of [3H]-FNM with IC50 values of 73 nM, 132 nM, 7.7 microM and 5.9 microM, respectively. Other substituted benzamides including metoclopramide, sulpiride, tiap...

  8. An Empirical Examination of Symptom Substitution Associated with Behavior Therapy for Tourette's Disorder

    OpenAIRE

    Peterson, Alan L.; McGuire, Joseph F.; Wilhelm, Sabine; Piacentini, John; Woods, Douglas W.; Walkup, John T.; Hatch, John P.; Villarreal, Robert; Scahill, Lawrence

    2015-01-01

    Over the past 6 decades, behavior therapy has been a major contributor to the development of evidence-based psychotherapy treatments. However, a longstanding concern with behavior therapy among many nonbehavioral clinicians has been the potential risk for symptom substitution. Few studies have been conducted to evaluate symptom substitution in response to behavioral treatments, largely due to measurement and definitional challenges associated with treated psychiatric symptoms. Given the overt...

  9. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-02-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  10. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-06-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  11. Structural transitions in hybrid improper ferroelectric C a3T i2O7 tuned by site-selective isovalent substitutions: A first-principles study

    Science.gov (United States)

    Li, C. F.; Zheng, S. H.; Wang, H. W.; Gong, J. J.; Li, X.; Zhang, Y.; Yang, K. L.; Lin, L.; Yan, Z. B.; Dong, Shuai; Liu, J.-M.

    2018-05-01

    C a3T i2O7 is an experimentally confirmed hybrid improper ferroelectric material, in which the electric polarization is induced by a combination of the coherent Ti O6 octahedral rotation and tilting. In this work, we investigate the tuning of ferroelectricity of C a3T i2O7 using isovalent substitutions on Ca sites. Due to the size mismatch, larger/smaller alkaline earths prefer A'/A sites, respectively, allowing the possibility for site-selective substitutions. Without extra carriers, such site-selected isovalent substitutions can significantly tune the Ti O6 octahedral rotation and tilting, and thus change the structure and polarization. Using the first-principles calculations, our study reveals that three substituted cases (Sr, Mg, and Sr+Mg) show divergent physical behaviors. In particular, (CaTiO3) 2SrO becomes nonpolar, which can reasonably explain the suppression of polarization upon Sr substitution observed in experiment. In contrast, the polarization in (MgTiO3) 2CaO is almost doubled upon substitutions, while the estimated coercivity for ferroelectric switching does not change. The (MgTiO3) 2SrO remains polar but its structural space group changes, with moderate increased polarization and possible different ferroelectric switching paths. Our study reveals the subtle ferroelectricity in the A3T i2O7 family and suggests one more practical route to tune hybrid improper ferroelectricity, in addition to the strain effect.

  12. Electrochemical behavior of meso-substituted iron porphyrins in alkaline aqueous media

    Science.gov (United States)

    Berezina, N. M.; Bazanov, M. I.; Maksimova, A. A.; Semeikin, A. S.

    2017-12-01

    The effect meso-substitution in iron porphyrin complexes has on their redox behavior in alkaline aqueous solutions is studied via cyclic voltammetry. The voltammetric features of the reduction of iron pyridylporphyrins suggest that the sites of electron transfer lie at the ligand, the metal ion, and the pyridyl moieties. The electron transfer reactions between the different forms of these compounds, including the oxygen reduction reaction they mediate, are outlined to show the sequence and potential ranges in which they occur in alkaline aqueous media. Under our experimental conditions, the iron porphyrins exist as μ-oxo dimmers whose activity for the electrocatalytic reduction of oxygen displays a considerable dependence on the nature of the substitutents and nitrogen isomerization (for pyridylporphyrins) and grows in the order (Fe( ms-Ph)4P)2O, (Fe[ ms-(Py-3)Ph3]P)2O, (Fe[ ms-(Py-4)4]P)2O, and (Fe[ ms-(Py-3)4]P)2O.

  13. On the substitution of Sr ions at Y sites in YBa2Cu3O7-d

    International Nuclear Information System (INIS)

    Siddiqi, S.A.; Sreedhar, K.; Drobac, D.; Infante, C.; Matacotta, F.C.; Ganguly, P.

    1989-10-01

    The effect of Sr substitution at the Ba sites in YBa 2 Cu 3 O 7-d has been studied, attempts to substitute Sr exclusively at Y sites have not been successful. We have been able to substitute Sr at Y sites only when the Ba ions are simultaneously substituted by Sr to give solid solutions of the type Y 1-x Sr x Ba 2-2x Sr 2x Cu 3 O 7- x /2-d . These examples show superconducting transitions higher than 78K without significant deterioration in the magnitude of the ac susceptibility. The substitutions are best understood in terms of site constraints on the ions occupying the Y and Ba sites. 4 refs, 2 figs, 2 tabs

  14. Impact of generic substitution decision support on electronic prescribing behavior.

    Science.gov (United States)

    Stenner, Shane P; Chen, Qingxia; Johnson, Kevin B

    2010-01-01

    To evaluate the impact of generic substitution decision support on electronic (e-) prescribing of generic medications. The authors analyzed retrospective outpatient e-prescribing data from an academic medical center and affiliated network for July 1, 2005-September 30, 2008 using an interrupted time-series design to assess the rate of generic prescribing before and after implementing generic substitution decision support. To assess background secular trends, e-prescribing was compared with a concurrent random sample of hand-generated prescriptions. Proportion of generic medications prescribed before and after the intervention, evaluated over time, and compared with a sample of prescriptions generated without e-prescribing. The proportion of generic medication prescriptions increased from 32.1% to 54.2% after the intervention (22.1% increase, 95% CI 21.9% to 22.3%), with no diminution in magnitude of improvement post-intervention. In the concurrent control group, increases in proportion of generic prescriptions (29.3% to 31.4% to 37.4% in the pre-intervention, post-intervention, and end-of-study periods, respectively) were not commensurate with the intervention. There was a larger change in generic prescribing rates among authorized prescribers (24.6%) than nurses (18.5%; adjusted OR 1.38, 95% CI 1.17 to 1.63). Two years after the intervention, the proportion of generic prescribing remained significantly higher for e-prescriptions (58.1%; 95% CI 57.5% to 58.7%) than for hand-generated prescriptions ordered at the same time (37.4%; 95% CI 34.9% to 39.9%) (p<0.0001). Generic prescribing increased significantly in every specialty. Implementation of generic substitution decision support was associated with dramatic and sustained improvements in the rate of outpatient generic e-prescribing across all specialties.

  15. The Dielectric Behavior of Cyano-Substituted Poly imides

    International Nuclear Information System (INIS)

    Elshazly, E.S.; Abdelrahman, A.A.M.; Elmasry, M.A.A.

    2013-01-01

    A number of amorphous poly imides containing polar functional groups, cyano group, have been synthesized and investigated for potential use as high temperature piezoelectric sensors. The piezoelectric constants are related to the polarization. The remanent polarization and hence piezoelectric response of a material is determined by dielectric relaxation strength which is the difference in dielectric constant at the glass transition temperature vicinity. The intent of this work is to clarify the mechanism and key components required for developing piezoelectricity in amorphous polymers and further to apply this understanding in designing a unique high temperature piezoelectric polyimide. In this paper, experimental investigations of dielectric constant of piezoelectric cyano -substituted poly imides have been tested as a function of temperature to measure the dielectric relaxation strength in the glass transition temperature region.

  16. Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

    International Nuclear Information System (INIS)

    Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.

    2008-01-01

    A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

  17. An Empirical Examination of Symptom Substitution Associated with Behavior Therapy for Tourette's Disorder

    Science.gov (United States)

    Peterson, Alan L.; McGuire, Joseph F.; Wilhelm, Sabine; Piacentini, John; Woods, Douglas W.; Walkup, John T.; Hatch, John P.; Villarreal, Robert; Scahill, Lawrence

    2018-01-01

    Over the past 6 decades, behavior therapy has been a major contributor to the development of evidence-based psychotherapy treatments. However, a longstanding concern with behavior therapy among many nonbehavioral clinicians has been the potential risk for symptom substitution. Few studies have been conducted to evaluate symptom substitution in response to behavioral treatments, largely due to measurement and definitional challenges associated with treated psychiatric symptoms. Given the overt motor and vocal tics associated with Tourette’s disorder, it presents an excellent opportunity to empirically evaluate the potential risk for symptom substitution associated with behavior therapy. The present study examined the possible presence of symptom substitution using 4 methods: (1) the onset of new tic symptoms; (2) the occurrence of adverse events; (3) change in tic medications; and (4) worsening of co-occurring psychiatric symptoms. Two hundred twenty-eight participants with Tourette’s disorder or persistent motor or vocal tic disorders were randomly assigned to receive behavioral therapy or supportive therapy for tics. Both therapies consisted of 8 sessions over 10 weeks. Results indicated that participants treated with behavior therapy were not more likely to have an onset of new tic symptoms, experience adverse events, increase tic medications, or have an exacerbation in co-occurring psychiatric symptoms relative to participants treated with supportive therapy. Further analysis suggested that the emergence of new tics was attributed with the normal waxing and waning nature of Tourette’s disorder. Findings provide empirical support to counter the longstanding concern of symptom substitution in response to behavior therapy for individuals with Tourette's Disorder. PMID:26763495

  18. An Empirical Examination of Symptom Substitution Associated With Behavior Therapy for Tourette's Disorder.

    Science.gov (United States)

    Peterson, Alan L; McGuire, Joseph F; Wilhelm, Sabine; Piacentini, John; Woods, Douglas W; Walkup, John T; Hatch, John P; Villarreal, Robert; Scahill, Lawrence

    2016-01-01

    Over the past six decades, behavior therapy has been a major contributor to the development of evidence-based psychotherapy treatments. However, a long-standing concern with behavior therapy among many nonbehavioral clinicians has been the potential risk for symptom substitution. Few studies have been conducted to evaluate symptom substitution in response to behavioral treatments, largely due to measurement and definitional challenges associated with treated psychiatric symptoms. Given the overt motor and vocal tics associated with Tourette's disorder, it presents an excellent opportunity to empirically evaluate the potential risk for symptom substitution associated with behavior therapy. The present study examined the possible presence of symptom substitution using four methods: (a) the onset of new tic symptoms, (b) the occurrence of adverse events, (c) change in tic medications, and (d) worsening of co-occurring psychiatric symptoms. Two hundred twenty-eight participants with Tourette's disorder or persistent motor or vocal tic disorders were randomly assigned to receive behavioral therapy or supportive therapy for tics. Both therapies consisted of eight sessions over 10 weeks. Results indicated that participants treated with behavior therapy were not more likely to have an onset of new tic symptoms, experience adverse events, increase tic medications, or have an exacerbation in co-occurring psychiatric symptoms relative to participants treated with supportive therapy. Further analysis suggested that the emergence of new tics was attributed with the normal waxing and waning nature of Tourette's disorder. Findings provide empirical support to counter the long-standing concern of symptom substitution in response to behavior therapy for individuals with Tourette's disorder. Copyright © 2015. Published by Elsevier Ltd.

  19. Substitution of arginine for histidine-47 in the coenzyme binding site of yeast alcohol dehydrogenase I

    International Nuclear Information System (INIS)

    Gould, R.M.; Plapp, B.V.

    1990-01-01

    Molecular modeling of alcohol dehydrogenases suggests that His-47 in the yeast enzyme (His-44 in the protein sequence, corresponding to Arg-47 in the horse liver enzyme) binds the pyrophosphate of the NAD coenzyme. His-47 in the Saccharomyces cerevisiae isoenzyme I was substituted with an arginine by a directed mutation. Steady-state kinetic results at pH 7.3 and 30 degree C of the mutant and wild-type enzymes were consistent with an ordered Bi-Bi mechanism. The substitution decreased dissociation constants by 4-fold for NAD + and 2-fold for NADH while turnover numbers were decreased by 4-fold for ethanol oxidation and 6-fold for acetaldehyde reduction. The magnitudes of these effects are smaller than those found for the same mutation in the human liver β enzyme, suggesting that other amino acid residues in the active site modulate the effects of the substitution. The pH dependencies of dissociation constants and other kinetic constants were similar in the two yeast enzymes. Thus, it appears that His-47 is not solely responsible for a pK value near 7 that controls activity and coenzyme binding rates in the wild-type enzyme. The small substrate deuterium isotope effect above pH 7 and the single exponential phase of NADH production during the transient oxidation of ethanol by the Arg-47 enzyme suggest that the mutation makes an isomerization of the enzyme-NAD + complex limiting for turnover with ethanol

  20. B-site substituted solid solutions on the base of sodium-bismuth titanate

    Directory of Open Access Journals (Sweden)

    V. M. Ishchuk

    2016-12-01

    Full Text Available The paper presents results of studies of the formation of phases during the solid-state synthesis in the [(Na0.5Bi0.50.80Ba0.20](Ti1–yByO3 system of solid solutions with B-site substitutions. The substitutions by zirconium, tin and ion complexes (In0.5Nb0.5 and (Fe0.5Nb0.5 have been studied. It has been found that the synthesis is a multi-step process associated with the formation of a number of intermediate phases (depending on the compositions and calcination temperatures. Single-phase solid solutions have been produced at the calcination temperatures in the interval 1000–1100∘C. An increase in the substituting ions concentration leads to a linear increase of the crystal cell size. At the same time, the tolerance factor gets reduced boosting the stability of the antiferroelectric phase as compared to that of the ferroelectric phase.

  1. The interaction of substituted benzamides with brain benzodiazepine binding sites in vitro.

    Science.gov (United States)

    Horton, R W; Lowther, S; Chivers, J; Jenner, P; Marsden, C D; Testa, B

    1988-08-01

    1. The interaction of substituted benzamides with brain benzodiazepine (BDZ) binding sites was examined by their ability to displace [3H]-flunitrazepam ([3H]-FNM) from specific binding sites in bovine cortical membranes in vitro. 2. Clebopride, Delagrange 2674, Delagrange 2335 and BRL 20627 displayed concentration-dependent displacement of [3H]-FNM with IC50 values of 73 nM, 132 nM, 7.7 microM and 5.9 microM, respectively. Other substituted benzamides including metoclopramide, sulpiride, tiapride, sultopride and cisapride were inactive at 10(-5) M. 3. Inhibition by clebopride and Delagrange 2674 of [3H]-FNM binding was apparently competitive and readily reversible. 4. In the presence of gamma-aminobutyric acid (GABA), the ability of diazepam and Delagrange 2674 to displace [3H]-Ro 15-1788 binding was increased 3.6 and 1.6 fold respectively, compared to the absence of GABA, while ethyl beta-carboline-3-carboxylate (beta CCE) and clebopride were less potent in the presence of GABA. 5. Diazepam was 30 fold less potent at displacing [3H]-Ro 15-1788 in membranes that had been photoaffinity labelled with FNM than in control membranes, whereas the potency of beta CCE did not differ. Clebopride and Delagrange 2674 showed a less than two fold loss of potency in photoaffinity labelled membranes. 6. The pattern of binding of clebopride and Delagrange 2674 in these in vitro tests is similar to that found previously with partial agonists or antagonists at BDZ binding sites. 7. Clebopride and Delagrange 2674 inhibited [3H]-FNM binding with similar potency in rat cerebellar and hippocampal membranes, suggesting they have no selectivity for BDZ1 and BDZ2 binding sites. 8. Clebopride and Delagrange 2674 are structurally dissimilar to other BDZ ligands and represent another chemical structure to probe brain BDZ binding sites.

  2. Site occupancy and magnetic properties of Al-substituted M-type strontium hexaferrite

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Vivek; Nandadasa, Chandani N.; Kim, Seong-Gon, E-mail: kimsg@ccs.msstate.edu [Department of Physics and Astronomy, Mississippi State University, Mississippi State, Mississippi 39762 (United States); Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762 (United States); Kim, Sungho [Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762 (United States); Park, Jihoon; Hong, Yang-Ki [Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, Alabama 35487 (United States); Liyanage, Laalitha S. I. [Department of Physics, University of North Texas, Denton, Texas 76203 (United States); Moitra, Amitava [Thematic Unit of Excellence on Computational Materials Science, S.N. Bose National Centre for Basic Sciences, Sector-III, Block-JD, Salt Lake, Kolkata-700098 (India)

    2015-06-28

    We use first-principles total-energy calculations based on density functional theory to study the site occupancy and magnetic properties of Al-substituted M-type strontium hexaferrite SrFe{sub 12−x}Al{sub x}O{sub 19} with x = 0.5 and x = 1.0. We find that the non-magnetic Al{sup 3+} ions preferentially replace Fe{sup 3+} ions at two of the majority spin sites, 2a and 12k, eliminating their positive contribution to the total magnetization causing the saturation magnetization M{sub s} to be reduced as Al concentration x is increased. Our formation probability analysis further provides the explanation for increased magnetic anisotropy field when the fraction of Al is increased. Although Al{sup 3+} ions preferentially occupy the 2a sites at a low temperature, the occupation probability of the 12k site increases with the rise of the temperature. At a typical annealing temperature (>700 °C) Al{sup 3+} ions are much more likely to occupy the 12k site than the 2a site. Although this causes the magnetocrystalline anisotropy K{sub 1} to be reduced slightly, the reduction in M{sub s} is much more significant. Their combined effect causes the anisotropy field H{sub a} to increase as the fraction of Al is increased, consistent with recent experimental measurements.

  3. Effect of the substitution of F on the photoswitching behavior in single molecular device

    Science.gov (United States)

    Bian, Baoan; Zheng, Yapeng; Yuan, Peipei; Liao, Bin; Chen, Wei; An, Xiuhua; Mo, Xiaotong; Ding, Yuqiang

    2017-09-01

    We carry out first-principles calculations based on density functional theory and non-equilibrium Green's function to investigate the electronic transport properties of a 5-arylidenehydantoin molecule sandwiched between two Au electrodes. A reversible switching behavior between E and Z isomerization can be observed in the device through light irradiation, and their currents display different characteristic. Furthermore, it is found that the substitution of F in the molecule enlarges the switching ratio of device. The different characteristics of currents for E/Z forms and E/Z with the substitution of F are discussed by the transmission spectra and the molecular projected self-consistent Hamiltonian states. We discuss the change of Fermi level alignment due to the substitution of F, and the polarization effect under bias. We find the negative differential resistance effect in the E form with the substitution of F, which is explained by change of molecule-electrode coupling with the varied bias. The results suggest that the 5-arylidenehydantoin molecule with the substitution of F that improves the performance of device, becoming one of the methods for improving single molecular photoswitching performance in the future.

  4. Receptor binding profiles and behavioral pharmacology of ring-substituted N,N-diallyltryptamine analogs.

    Science.gov (United States)

    Klein, Landon M; Cozzi, Nicholas V; Daley, Paul F; Brandt, Simon D; Halberstadt, Adam L

    2018-02-27

    Substantial effort has been devoted toward understanding the psychopharmacological effects of tryptamine hallucinogens, which are thought to be mediated by activation of 5-HT 2A and 5-HT 1A receptors. Recently, several psychoactive tryptamines based on the N,N-diallyltryptamine (DALT) scaffold have been encountered as recreational drugs. Despite the apparent widespread use of DALT derivatives in humans, little is known about their pharmacological properties. We compared the binding affinities of DALT and its 2-phenyl-, 4-acetoxy-, 4-hydroxy-, 5-methoxy-, 5-methoxy-2-methyl-, 5-fluoro-, 5-fluoro-2-methyl-, 5-bromo-, and 7-ethyl-derivatives at 45 receptor and transporter binding sites. Additionally, studies in C57BL/6 J mice examined whether these substances induce the head twitch response (HTR), a 5-HT 2A receptor-mediated response that is widely used as a behavioral proxy for hallucinogen effects in humans. Most of the test drugs bound to serotonin receptors, σ sites, α 2 -adrenoceptors, dopaminergic D 3 receptors, histaminergic H 1 receptors, and the serotonin transporter. DALT and several of the ring-substituted derivatives were active in the HTR assay with the following rank order of potency: 4-acetoxy-DALT > 5-fluoro-DALT > 5-methoxy-DALT > 4-hydroxy-DALT > DALT > 5-bromo-DALT. 2-Phenyl-DALT, 5-methoxy-2-methyl-DALT, 5-fluoro-2-methyl-DALT, and 7-ethyl-DALT did not induce the HTR. HTR potency was not correlated with either 5-HT 1A or 5-HT 2A receptor binding affinity, but a multiple regression analysis indicated that 5-HT 2A and 5-HT 1A receptors make positive and negative contributions, respectively, to HTR potency (R 2  = 0.8729). In addition to supporting the established role of 5-HT 2A receptors in the HTR, these findings are consistent with evidence that 5-HT 1A activation by tryptamine hallucinogens buffers their effects on HTR. Published by Elsevier Ltd.

  5. High-Temperature Decomposition of Brønsted Acid Sites in Gallium-Substituted Zeolites

    Energy Technology Data Exchange (ETDEWEB)

    K Al-majnouni; N Hould; W Lonergan; D Vlachos; R Lobo

    2011-12-31

    The dehydroxylation of Broensted acid sites (BAS) in Ga-substituted zeolites was investigated at temperatures up to 850 C using X-ray absorption spectroscopy (XAS), Fourier transform infrared spectroscopy (FTIR), and mass spectrometry-temperature programmed desorption (MS-TPD). X-ray absorption near-edge spectroscopy (XANES) revealed that the majority of gallium has tetrahedral coordination even after complete dehydroxylation. The interatomic gallium-oxygen distance and gallium coordination number determined by extended X-ray absorption fine structure (EXAFS) are consistent with gallium in tetrahedral coordination at low T (< 550 C). Upon heating Ga-Beta and Ga-ZSM5 to 850 C, analysis of the EXAFS showed that 70 and 80% of the gallium was still in tetrahedral coordination. The remainder of the gallium was found to be in octahedral coordination. No trigonal Ga atoms were observed. FTIR measurements carried out at similar temperatures show that the intensity of the OH vibration due to BAS has been eliminated. MS-TPD revealed that hydrogen in addition to water evolved from the samples during dehydroxylation. This shows that dehydrogenation in addition to dehydration is a mechanism that contributes to BAS decomposition. Dehydrogenation was further confirmed by exposing the sample to hydrogen to regenerate some of the BAS as monitored by FTIR and MS-TPD.

  6. Synthesis and Preliminary Characterization of a PPE-Type Polymer Containing Substituted Fullerenes and Transition Metal Ligation Sites

    Directory of Open Access Journals (Sweden)

    Corinne A. Basinger

    2015-01-01

    Full Text Available A substituted fullerene was incorporated into a PPE-conjugated polymer repeat unit. This subunit was then polymerized via Sonogashira coupling with other repeat units to create polymeric systems approaching 50 repeat units (based on GPC characterization. Bipyridine ligands were incorporated into some of these repeat units to provide sites for transition metal coordination. Photophysical characterization of the absorption and emission properties of these systems shows excited states located on both the fullerene and aromatic backbone of the polymers that exist in a thermally controlled equilibrium. Future work will explore other substituted polyaromatic systems using similar methodologies.

  7. Behavioral economic substitutability of e-cigarettes, tobacco cigarettes, and nicotine gum.

    Science.gov (United States)

    Johnson, Matthew W; Johnson, Patrick S; Rass, Olga; Pacek, Lauren R

    2017-07-01

    The public health impact of e-cigarettes may depend on their substitutability for tobacco cigarettes. Dual users of e-cigarettes and tobacco cigarettes completed purchasing tasks in which they specified daily use levels under hypothetical conditions that varied the availability and price of e-cigarettes, tobacco cigarettes, and nicotine gum (for those with nicotine gum experience). When either e-cigarettes or tobacco cigarettes were the only available commodity, as price per puff increased, purchasing decreased, revealing similar reinforcement profiles. When available concurrently, as the price of tobacco puffs increased, purchasing of tobacco puffs decreased while purchasing of fixed-price e-cigarette puffs increased. Among those with nicotine gum experience, when the price of tobacco puffs was closest to the actual market value of tobacco puffs, e-cigarette availability decreased median tobacco puff purchases by 44% compared to when tobacco was available alone. In contrast, nicotine gum availability caused no decrease in tobacco puff purchases. E-cigarettes may serve as a behavioral economic substitute for tobacco cigarettes, and may be a superior substitute compared to nicotine gum in their ability to decrease tobacco use. Although important questions remain regarding the health impacts of e-cigarettes, these data are consistent with the possibility that e-cigarettes may serve as smoking cessation/reduction aids.

  8. Behavioral Ecology of Coral Reef Fishes at Spawning Aggregation Sites

    National Research Council Canada - National Science Library

    Sancho, Gorka

    1998-01-01

    This thesis is an extensive investigation of the behavioral and ecological relationships between spawning reef fishes, their predators, and various environmental parameters at spawning aggregation sites...

  9. High-temperature Thermoelectric and Microstructural Characteristics of Ga Substituted on the Co-site in Cobalt-based Oxides

    DEFF Research Database (Denmark)

    Van Nong, Ngo; Yanagiya, S.; Sonne, Monica

    2011-01-01

    The effects of Ga substitution on the Co-site on the high-temperature thermoelectric properties and microstructure are investigated for the misfitlayered Ca3Co4O9 and the complex perovskite-related Sr3RECo4O10.5 (RE = rare earth) cobalt-based oxides. For both systems, substitution of Ga for Co...... results in a simultaneous increase in the Seebeck coefficient (S) and the electrical conductivity (σ), and the influence is more significant in the high temperature region. The power factor (S 2 σ) is thereby remarkably improved by Ga substitution, particularly at high temperatures. Texture factor......0.05O9 shows the best ZT value of 0.45 at 1200 K, which is about 87.5% higher than the nondoped one, a considerable improvement....

  10. Site occupancy and magnetic study of Al3+ and Cr3+ co-substituted Y3Fe5O12

    International Nuclear Information System (INIS)

    Bouziane, K.; Yousif, A.; Widatallah, H.M.; Amighian, J.

    2008-01-01

    Single-phased polycrystalline Y 3 Fe 5-2x Al x Cr x O 12 garnet samples (x=0, 0.2, 0.4 and 0.6) have been prepared by the conventional ceramic technique. Rietveld refinement of X-ray diffraction patterns of the samples shows them to crystallize in the Ia3d space group and the corresponding lattice constant to decrease with increasing Al 3+ and Cr 3+ contents (x). Moessbauer results indicate that Cr 3+ substitutes for Fe 3+ at the octahedral sites whilst Al 3+ essentially replaces Fe 3+ at the tetrahedral sites. This result indicates that co-doping of Y 3 Fe 5 O 12 does not affect the preferential site occupancy for separate individual substitution of either Cr 3+ or Al 3+ . The magnetization measurements reveal that the Curie temperature (T c ) monotonically decreases with increasing x while the magnetic moment per unit formula decreases up to x=0.4 and then slightly increases for x=0.6. This reflects a progressive weakening of the ferrimagnetic exchange interaction between the Fe 3+ ions at octahedral and tetrahedral sites due to co-substitution. The magnetic moment was calculated using the cations distribution inferred from the Moessbauer data and the collinear ferrimagnetic model, and was found to agree reasonably with the experimentally measured value. The phenomenological amplitude crossover, characterized by the temperature T*, has also been observed in the doped YIG and briefly discussed

  11. Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

    Science.gov (United States)

    Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

    2014-01-01

    In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.

  12. Base substitutions at scissile bond sites are sufficient to alter RNA-binding and cleavage activity of RNase III.

    Science.gov (United States)

    Kim, Kyungsub; Sim, Se-Hoon; Jeon, Che Ok; Lee, Younghoon; Lee, Kangseok

    2011-02-01

    RNase III, a double-stranded RNA-specific endoribonuclease, degrades bdm mRNA via cleavage at specific sites. To better understand the mechanism of cleavage site selection by RNase III, we performed a genetic screen for sequences containing mutations at the bdm RNA cleavage sites that resulted in altered mRNA stability using a transcriptional bdm'-'cat fusion construct. While most of the isolated mutants showed the increased bdm'-'cat mRNA stability that resulted from the inability of RNase III to cleave the mutated sequences, one mutant sequence (wt-L) displayed in vivo RNA stability similar to that of the wild-type sequence. In vivo and in vitro analyses of the wt-L RNA substrate showed that it was cut only once on the RNA strand to the 5'-terminus by RNase III, while the binding constant of RNase III to this mutant substrate was moderately increased. A base substitution at the uncleaved RNase III cleavage site in wt-L mutant RNA found in another mutant lowered the RNA-binding affinity by 11-fold and abolished the hydrolysis of scissile bonds by RNase III. Our results show that base substitutions at sites forming the scissile bonds are sufficient to alter RNA cleavage as well as the binding activity of RNase III. © 2010 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  13. Ingestive Behavior of Heifers Supplemented with Glycerin in Substitution of Corn on Pasture

    Directory of Open Access Journals (Sweden)

    L. M. A. M. Facuri

    2014-11-01

    Full Text Available The objective was to evaluate the ingestive behavior of crossbred heifers finished on a Brachiaria brizantha cv. Marandu pasture receiving four levels of glycerin in their supplementation. Thirty-six crossbred heifers with average initial weight of 264.83±3.83 kg and 20 months of age were distributed into a completely randomized design with four treatments and nine replications: control (0%, 4.82%, 10.12%, and 15.56% glycerin in the dry matter. The grazing time reduced linearly (p0.05. The number of rumination periods reduced linearly (p0.05 whereas the feed efficiency of neutral detergent fiber reduced linearly (p<0.05. Addition of glycerin in substitution of corn in supplements for animals managed on pastures does not influenced feed intake, but reduces the grazing time and increases the idle time. The supplementation also improves feed and rumination efficiencies.

  14. Ingestive Behavior of Heifers Supplemented with Glycerin in Substitution of Corn on Brachiaria brizantha Pasture.

    Science.gov (United States)

    Facuri, L M A M; Silva, R R; da Silva, F F; de Carvalho, G G P; Sampaio, C B; Mendes, F B L; Lisboa, M M; Barroso, D S; Carvalho, V M; Pereira, M M S

    2014-11-01

    The objective was to evaluate the ingestive behavior of crossbred heifers finished on a Brachiaria brizantha cv. Marandu pasture receiving four levels of glycerin in their supplementation. Thirty-six crossbred heifers with average initial weight of 264.83±3.83 kg and 20 months of age were distributed into a completely randomized design with four treatments and nine replications: control (0%), 4.82%, 10.12%, and 15.56% glycerin in the dry matter. The grazing time reduced linearly (p0.05). The number of rumination periods reduced linearly (p0.05) whereas the feed efficiency of neutral detergent fiber reduced linearly (p<0.05). Addition of glycerin in substitution of corn in supplements for animals managed on pastures does not influenced feed intake, but reduces the grazing time and increases the idle time. The supplementation also improves feed and rumination efficiencies.

  15. Acid mine drainage simulated leaching behavior of goethite and cobalt substituted goethite

    Science.gov (United States)

    Penprase, S. B.; Kimball, B. E.

    2015-12-01

    Though most modern day mining aims to eliminate the seepage of acid mine drainage (AMD) to the local watershed, historical mines regularly receive little to no remediation, and often release acidic, metal-rich drainage and particles to the environment. Treatment of AMD often includes neutralizing pH to facilitate the precipitation of Fe-oxides and dissolved trace metals, thereby forming Trace Metal Substituted (TMS) forms of known minerals, such as goethite (α-FeOOH). The stability of TMS precipitates is not fully understood. As a result, we conducted a 20 day leach experiment using laboratory synthesized pure (Gt) and cobalt-substituted (CoGt) goethites with a dilute ultrapure HCl solution (pH = 3.61) at T = 23.3±2.5ºC. Leached solids were characterized using X-ray diffraction (XRD) and scanning electron microscopy paired with energy dispersive spectroscopy (SEM-EDS). Leach solutions were sampled for pH and conductivity, and dissolved chemistry was determined with Inductively Coupled Plasma Mass Spectroscopy (ICP-MS). Preliminary results indicate Gt and CoGt filtered leach solutions experienced constant pH (Gt = 3.9 ± 0.1, CoGt = 6.8 ± 0.2) and conductivity (Gt = 69 ± 6.6 μS/cm, CoGt = 81 ± 16 μS/cm) for t = 0-20 days. Micro-focused XRD results indicate that leached solids did not change in mineralogy throughout the experiment, and SEM images show minor disintegration along mineral grain edges, but little overall change in shape. Preliminary ICP-MS results show lower dissolved Fe concentrations for CoGt (1.1 ± 1.1 ppb) compared to Gt (17 ± 8.9 ppb) over time. Dissolved Co concentrations ranged from 560 - 830 ppb and increased over time. Compared to leaching of pure Gt, leaching of CoGt generated significantly higher pH, slightly higher conductivity, and significantly less dissolved Fe. During the CoGt leach, Co was preferentially leached over Fe. The differences in leaching behavior between pure and TMS goethite in the laboratory have implications for

  16. Stereospecific suppression of active site mutants by methylphosphonate substituted substrates reveals the stereochemical course of site-specific DNA recombination

    OpenAIRE

    Rowley, Paul A.; Kachroo, Aashiq H.; Ma, Chien-Hui; Maciaszek, Anna D.; Guga, Piotr; Jayaram, Makkuni

    2015-01-01

    Tyrosine site-specific recombinases, which promote one class of biologically important phosphoryl transfer reactions in DNA, exemplify active site mechanisms for stabilizing the phosphate transition state. A highly conserved arginine duo (Arg-I; Arg-II) of the recombinase active site plays a crucial role in this function. Cre and Flp recombinase mutants lacking either arginine can be rescued by compensatory charge neutralization of the scissile phosphate via methylphosphonate (MeP) modificati...

  17. Dynamic Game Behavior of Retailers Considering the Quality of Substitute Products Based on Delay Decision

    Science.gov (United States)

    Bao, Binshuo; Ma, Junhai

    2017-12-01

    Motivated by the Silk Road Economic Belt and the 21st-Century Maritime Silk Road project, i.e. the Belt and Road (B&R), more goods will flow around the world. With this trading platform, people can buy products at relatively cheap prices, and it is easier for people to buy various goods. The quality and quantity of products thus attract more and more attention in the supply chains. This paper discusses the quantity decision by considering the product quality in parallel supply chains where two manufacturers produce substitute products and then sell them to their downstream retailers separately. In terms of the changing quantity, as well as the different quality, this paper establishes a dynamic game model to explore the dynamic behavior when the optimal profits of two retailers have been calculated. The dynamic behaviors of the system, such as stable region, bifurcation and chaos, strange attractors and the largest Lyapunov exponents (LLE) are analyzed. The effect of the quantity adjustment parameter on the stability of the supply chain system is investigated through numerical simulations. Furthermore, a dynamic game model is established based on the quality delay decision, to investigate the influence of the quality delay parameter on the dynamic game model and the profits. Finally, the optimal decisions are obtained and analyzed.

  18. Electrical modulus and dielectric behavior of Cr{sup 3+} substituted Mg–Zn nanoferrites

    Energy Technology Data Exchange (ETDEWEB)

    Mansour, S.F.; Abdo, M.A.

    2017-04-15

    The dielectric parameters and ac electrical conductivity of Mg{sub 0.8}Zn{sub 0.2}Cr{sub x}Fe{sub 2−x}O{sub 4}; (0≤x≤0.025) nanoferrites synthesized citrate–nitrate auto-combustion method were studied using the complex impedance technique in the frequency and temperature ranges 4 Hz–5 MHz and 303–873 K respectively. Hopping of charge carriers plus interfacial polarization could interpret the behaviors of dielectric constant (ε′), dielectric loss tangent (tanδ) and ac electrical conductivity (σ{sub ac}) with frequency, temperatures and composition. The up-normal behavior observed in tanδ trend with temperatures confirms the presence of relaxation loss (dipoles losses). Correlated barrier hopping (CBH) of electron is the conduction mechanism of the investigated nanoferrites. Cole-Cole plots at different temperatures emphasize the main role of grain and grain boundaries in the properties of the investigated nanoferrites. Cr{sup 3+} substitution can control the dielectric parameters and ac electrical conductivity of Mg-Zn nanoferrites making it candidates for versatile applications. - Highlights: • The composition dependence of ε′, tanδ, and σ{sub ac} showed the same trend. • CBH model is the conduction mechanism of the investigated nanoferrite. • Cole-Cole plots confirmed the role of grain and grain boundaries in our nanoferrites.

  19. Photo-fragmentation behavior of methyl- and methoxy-substituted derivatives of hexa-peri-hexabenzocoronene (HBC) cations

    Science.gov (United States)

    Zhen, Junfeng; Castellanos, Pablo; Linnartz, Harold; Tielens, Alexander G. G. M.

    2016-11-01

    A systematic study, using ion trap time-of-flight mass spectrometry, is presented for the photo-fragmentation of methyl- and methoxy-substituted derivatives of HBC cations, (OCH3)6HBC+ and (CH3)4(OCH3)2HBC+. Both substituted HBC cations fragment through sequential loss of CH3CO units upon laser (595nm) irradiation, resulting in a PAH-like derivative C36H12+ and a methyl-substituted PAH derivative C44H24+ , respectively. Upon ongoing irradiation, these species further fragment. For lower laser energy C44H24+ dehydrogenates and photo-fragments through CH3 and CHCH2 unit losses; for higher laser energy isomerization takes place, yielding a regular PAH-like configuration, and both stepwise dehydrogenation and C2/C2H2 loss pathways are found. C36H12+ follows largely this latter fragmentation scheme upon irradiation. It is concluded that the photo-dissociation mechanism of the substituted PAH cations studied here is site selective in the substituted subunit. This work also shows experimental evidence that photo-fragmentation of substituted PAHs may contribute to the formation in space of smaller species that are normally considered to form by merging atoms and molecules.

  20. Substitution of healthy for unhealthy beverages among college students. A health-concerns and behavioral-economics perspective.

    Science.gov (United States)

    Yang, Chao-Chin; Chiou, Wen-Bin

    2010-06-01

    Excessive intake of sugar-sweetened beverages by undergraduates is closely related to the increasing prevalence of obesity, making investigations of the substitution of healthy for unhealthy beverages imperative. According to the concept of price elasticity in behavioral economics, the choice of healthy over unhealthy behaviors is facilitated by increasing the cost of less-healthy alternatives or reducing the cost of healthier alternatives. Furthermore, evoking health concerns by using health claims may induce substitution of healthy for unhealthy beverages. A total of 108 18-22-year-old undergraduates participated in a laboratory experiment and were given a certain amount of money and allowed to purchase a healthy beverage and a less-healthy beverage with or without receiving health claims. Increasing the price of a type of beverage was shown to reduce purchases of that beverage type and lead to substitution with the alternative type. Moreover, the effect of price elasticity on healthy beverage substitution was more pronounced when participants' health concerns were evoked. The results suggest that lowering the cost of alternative commodities and evoking health concerns by health-related claims would foster the substitution of healthier for unhealthy beverages among college students. Copyright 2010 Elsevier Ltd. All rights reserved.

  1. Clean Chlorination of Silica Surfaces by a Single-site Substitution Approach

    KAUST Repository

    Maity, Niladri

    2018-02-12

    A chlorination method for the selective substitution of well-defined isolated silanol groups of the silica surface has been developed using the catalytic Appel reaction. Spectroscopic analysis, complemented by elemental microanalysis studies, reveals that a quantitative chlorination could be achieved with highly dehydroxylated silica materials that exclusively possess non-hydrogen bonded silanol groups. The employed method did not leave any carbon or phosphorous residue on the silica surface and can be regarded as a promising tool for the future functionalization of metal oxide surfaces.

  2. Clean Chlorination of Silica Surfaces by a Single-site Substitution Approach

    KAUST Repository

    Maity, Niladri; Barman, Samir; Abou-Hamad, Edy; D'Elia, Valerio; Basset, Jean-Marie

    2018-01-01

    A chlorination method for the selective substitution of well-defined isolated silanol groups of the silica surface has been developed using the catalytic Appel reaction. Spectroscopic analysis, complemented by elemental microanalysis studies, reveals that a quantitative chlorination could be achieved with highly dehydroxylated silica materials that exclusively possess non-hydrogen bonded silanol groups. The employed method did not leave any carbon or phosphorous residue on the silica surface and can be regarded as a promising tool for the future functionalization of metal oxide surfaces.

  3. Mn fraction substitutional site and defects induced magnetism in Mn-implanted 6H-SiC

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K., E-mail: Khalid.bouziane@uir.ac.ma [Pôle Energies Renouvelables et Etudes Pétrolières, Université Internationale de Rabat, 11000 – Salé el Jadida, Technopolis (Morocco); Al Azri, M.; Elzain, M. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, Al-Khodh 123 (Oman); Chérif, S.M. [LSPM (CNRS-UPR 3407), Université Paris, 13-Nord, 99, Avenue Jean Baptiste Clément, 93430 Villetaneuse (France); Mamor, M. [Equipe MSISM, Faculté Poly-Disciplinaire, B.P. 4162 Safi, Université Cadi Ayyad, Marrakech (Morocco); Declémy, A. [Institut P’, CNRS – Université de Poitiers – ENSMA, UPR 3346, SP2MI – Téléport 2, 11 boulevard Marie et Pierre Curie, BP 30179, F-86962 Futuroscope Chasseneuil Cedex (France); Thomé, L. [CSNSM-Orsay, Bât. 108, Université d’Orsay, F-91405 Orsay (France)

    2015-05-25

    Highlights: • Shallow Mn-implanted 6H-SiC crystal. • Correlation between Mn-substitutional site concentration and magnetism. • Correlation between defects nature surrounding Mn site and magnetism. • Correlation of magnetism in Mn-doped SiC to Mn at Si sites and vacancy-related defect. - Abstract: n-type 6H-SiC (0 0 0 1) single crystal substrates were implanted with three fluences of manganese (Mn{sup +}) ions: 5 × 10{sup 15}, 1 × 10{sup 16} and 5 × 10{sup 16} cm{sup −2} with implantation energy of 80 keV at 365 °C to stimulate dynamic annealing. The samples were characterized using Rutherford backscattering channeling spectroscopy (RBS/C), high-resolution X-ray diffraction technique (HRXRD), and Superconducting Quantum Interference Device (SQUID) techniques. Two main defect regions have been identified using RBS/C spectra fitted with the McChasy code combined to SRIM simulations. Intermediate defects depth region is associated with vacancies (D{sub V}) and deeper defect (D{sub N}) essentially related to the Si and C interstitial defects. The defect concentration and the maximum perpendicular strain exhibit similar increasing trend with the Mn{sup +} fluence. Furthermore, the amount of Mn atoms at Si substitutional sites and the corresponding magnetic moment per Mn atom were found to increase with increasing Mn fluence from 0.7 μ{sub B} to 1.7 μ{sub B} and then collapsing to 0.2 μ{sub B}. Moreover, a strong correlation has been found between the magnetic moment and the combination of both large D{sub V}/D{sub N} ratio and high Mn at Si sites. These results are corroborated by our ab initio calculations considering the most stable configurations showing that besides the amount of Mn substituting Si sites, local vacancy-rich environment is playing a crucial role in enhancing the magnetism.

  4. A cautionary note on substituting spatial subunits for repeated temporal sampling in studies of site occupancy

    Science.gov (United States)

    Kendall, William L.; White, Gary C.

    2009-01-01

    1. Assessing the probability that a given site is occupied by a species of interest is important to resource managers, as well as metapopulation or landscape ecologists. Managers require accurate estimates of the state of the system, in order to make informed decisions. Models that yield estimates of occupancy, while accounting for imperfect detection, have proven useful by removing a potentially important source of bias. To account for detection probability, multiple independent searches per site for the species are required, under the assumption that the species is available for detection during each search of an occupied site. 2. We demonstrate that when multiple samples per site are defined by searching different locations within a site, absence of the species from a subset of these spatial subunits induces estimation bias when locations are exhaustively assessed or sampled without replacement. 3. We further demonstrate that this bias can be removed by choosing sampling locations with replacement, or if the species is highly mobile over a short period of time. 4. Resampling an existing data set does not mitigate bias due to exhaustive assessment of locations or sampling without replacement. 5. Synthesis and applications. Selecting sampling locations for presence/absence surveys with replacement is practical in most cases. Such an adjustment to field methods will prevent one source of bias, and therefore produce more robust statistical inferences about species occupancy. This will in turn permit managers to make resource decisions based on better knowledge of the state of the system.

  5. Preparation of substituting seaweed field mounds accompanying site preparation for No.3 plant in Ikata Nuclear Power Station

    International Nuclear Information System (INIS)

    Ishihara, Hisashi; Oshima, Teruhiko; Fujisaki, Yuichi; Saeki, Taketoshi

    1987-01-01

    Shikoku Electric Power Co., Inc. is constructing No.3 plant adjacently to No.1 and No.2 plants in operation in Ikata Nuclear Power Station. In the coastal area of Iyo-nada, many seaweed fields are distributed, which are important biologically and for fishery. In the works of site preparation for No.3 plant, a part of the site is created by reclamation of sea area, therefore the natural seaweed fields in the area disappear. From the viewpoint of various circumstances and environment preservation, it was decided to create about 60,000 m 2 of seaweed field mounds on the seabed around the site as the substitute for disappearing natural seaweed fields. The Seaweed Field Study Group composed of the men of learning and experience was organized to obtain the guidance on the possibility of creating artificial seaweed fields, the techniques for creation and the effect on environment accompanying the creation of mounds. The creation works were started in October, 1985, and are in progress smoothly utilizing effectively the stones and rocks cut in the site preparation works. The topographic and geological features, sea conditions, the present state of seaweed fields, the experiment on creating artificial seaweed fields, the design and construction of mounds and others are reported. (Kako, I.)

  6. Cation distribution controlled dielectric, electrical and magnetic behavior of In{sup 3+} substituted cobalt ferrites synthesized via solid-state reaction technique

    Energy Technology Data Exchange (ETDEWEB)

    Pandit, Rabia, E-mail: rabiabest@gmail.com [Department of Physics, National Institute of Technology, Hamirpur, H.P 177 005 (India); Sharma, K.K., E-mail: kk.gautam@yahoo.co.in [Department of Physics, National Institute of Technology, Hamirpur, H.P 177 005 (India); Kaur, Pawanpreet [Department of Physics, National Institute of Technology, Hamirpur, H.P 177 005 (India); Kumar, Ravi [Centre for Material Science and Engineering, National Institute of Technology, Hamirpur, H.P 177 005 (India)

    2014-12-15

    We report the structural, cation distribution, dielectric, electrical and magnetic properties of CoFe{sub 2−x}In{sub x}O{sub 4} (0.0 ≤ x ≤ 0.6) ferrites. Rietveld fitted X-ray diffraction (XRD) patterns confirm the formation of single phase cubic spinel structure with Fd3m space group for all the samples. The comprehensive analysis of XRD based cation distribution has been performed to see the effect of In{sup 3+} ions substitution on various structural parameters such as site ionic radii, edge and bond lengths, interionic distances etc. The dielectric constant and tangent loss have been studied as a function of temperature and frequency. The dielectric data presented in electric modulus form reveals the presence of non-Debye relaxation behavior in considered ferrites. Both the AC and DC conductivities as a function of temperature are found to decrease with increasing In{sup 3+} content. The power law behavior of AC-conductivity indicates a strong correlation among electrons in these systems. The isothermal magnetization versus applied field curves with high field slope and significant coercivity suggest that studied materials are highly anisotropic with canted spin structures and exhibit ferrimagnetic behavior at 300 K. Magnetization gets enhanced up to 40% of In{sup 3+} substitution. The observed low dielectric losses and high resistivity can find their application in power transformers at high frequencies. - Highlights: • Rietveld refinement of CoIn{sub x}Fe{sub 2−x}O{sub 4} samples shows single phase cubic spinel structure. • Cation distribution matches well with experimental integrated intensity ratios. • Strength of magnetic interactions is found to increase with increasing In{sup 3+} substitution. • The present systems are highly correlated. • These material are promising candidate for power transformers at high frequencies.

  7. Site selective substitution Pt for Ti in KTiOPO{sub 4}:Ga crystals revealed by electron paramagnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Grachev, V.; Meyer, M.; Jorgensen, J.; Malovichko, G. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States); Hunt, A. W. [Idaho Accelerator Center, Idaho State University, Pocatello, Idaho 83209 (United States)

    2014-07-28

    Electron Paramagnetic Resonance at low temperatures has been used to characterize potassium titanyl phosphate (KTiOPO{sub 4}) single crystals grown by different techniques. Irradiation with 20 MeV electrons performed at room temperature and liquid nitrogen temperature caused an appearance of electrons and holes. Platinum impurities act as electron traps in KTiOPO{sub 4} creating Pt{sup 3+} centers. Two different Pt{sup 3+} centers were observed, Pt(A) and Pt(D). The Pt(A) centers are dominant in undoped samples, whereas Pt(D)—in Ga-doped KTP crystals. Superhyperfine structure registered for Pt(D) centers was attributed to interactions of platinum electrons with {sup 39}K and two {sup 31}P nuclei in their surroundings. In both Pt(A) and Pt(D) centers, Pt{sup 3+} ions substitute for Ti{sup 4+} ions, but with a preference to one of two electrically distinct crystallographic positions. The site selective substitution can be controlled by the Ga-doping.

  8. Distorted chain sites for Co- and Fe-substituted YBa2Cu3O/sub 7-δ/

    International Nuclear Information System (INIS)

    Bridges, F.; Boyce, J.B.; Claeson, T.; Geballe, T.H.; Tarascon, J.M.; Xerox Palo Alto Research Center, Palo Alto, California 94304; Physics Department, Chalmers University of Technology, S-41296 Gothenburg, Sweden; Department of Applied Physics, Stanford University, Stanford, California 94305; Bell Communications Research Laboratory, Red Bank, New Jersey 07701)

    1989-01-01

    We present x-ray-absorption fine-structure (XAFS) measurements for a series of Co- and Fe-substituted samples of YBa 2 Cu 3 O/sub 7-δ/(Y-Ba-Cu-O). Our analysis of the first- and second-neighbor environments indicates that the Co atoms primarily replace the Cu in the chain sites, the Cu(1) atoms, in Y-Ba-Cu-O, but many of these Co(1) sites and their neighboring oxygen sites are highly distorted. The first-neighbor Co-O peak consists of approximately 3.5 oxygen at 1.8 A and approximately 1.3 oxygen at 2.4 A, while the second-neighbor multipeak in the XAFS data is unexpectedly low in amplitude. Structure in this peak is inconsistent with a simple Gaussian broadening and indicates that several Co(1)-Ba distances exist. We propose an aggregation of the Co atoms into distorted, zigzag chains along the directions, with some of the Co displaced off center by approximately 0.4 A along a perpendicular direction. This model is consistent with the second-neighbor XAFS data, provides an explanation for the tetragonal structure via twinning on a microscopic scale, and accommodates excess oxygen within the Co chains. The Fe data suggest that similar chains also exist in the Fe-substituted samples. There are, however, some differences between the local environments of the Fe and Co. The primary difference is that a small but significant number of Fe atoms occupy the Cu(2) plane sites while no appreciable number of Co atoms are found on the Cu(2) sites in the more dilute samples. Finally, near-edge measurements on the Co and Fe K-absorption edges indicate that the valence is primarily +3, but a mixture of valences exists. For Co the edge position corresponds to a mixture of +2 and +3 valences, while Fe exists in a mixture of +2, +3, and +4 states

  9. Resorption behavior of a nanostructured bone substitute: in vitro investigation and clinical application.

    Science.gov (United States)

    Reichert, Christoph; Götz, Werner; Reimann, Susanne; Keilig, Ludger; Hagner, Martin; Bourauel, Christoph; Jäger, Andreas

    2013-03-01

    To develop an in vitro assay for quantitative analysis of the degradation to which a bone substitute is exposed by osteoclasts. The aim of establishing this method was to improve the predictability of carrying out tooth movements via bone substitutes and to provide a basis for verification in exemplary clinical cases. After populating a bone substitute (NanoBone®; ArtOss, Germany) with osteoclastic cells, inductively-coupled mass spectrometry was used to evaluate changing calcium levels in the culture medium as a marker of resorption activity. It was observed that calcium levels increased substantially in the culture medium with the cells populating the bone substitute. This in vitro assay is a valid method that can assist clinicians in selecting the appropriate materials for certain patients. While tooth movements occurring through this material were successful, uncertainty about the approach will remain as long-term results are not available.

  10. Metal-Free, Site-Selective Peptide Modification by Conversion of "Customizable" Units into β-Substituted Dehydroamino Acids.

    Science.gov (United States)

    Saavedra, Carlos J; Hernández, Dácil; Boto, Alicia

    2018-01-12

    Our site-selective modification of serine or threonine units in peptides allows the generation of β-substituted dehydroamino acids, which increase peptide resistance to hydrolysis and may improve their biological properties. Both the terminal and internal positions can be modified, and different customizable units can be activated separately. Remarkably, high Z selectivity is achieved, even at internal positions. The conversion involves a one-pot oxidative radical scission/phosphorylation process by using the low-toxicity (diacetoxyiodo)benzene/iodine system as the scission reagent. The resulting α-amino phosphonates undergo a Horner-Wadsworth-Emmons reaction to produce the dehydroamino acid derivatives (in a Z/E ratio of usually >98:2) under mild and metal-free conditions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Carbonate substitution in the mineral component of bone: Discriminating the structural changes, simultaneously imposed by carbonate in A and B sites of apatite

    Science.gov (United States)

    Madupalli, Honey; Pavan, Barbara; Tecklenburg, Mary M. J.

    2017-11-01

    The mineral component of bone and other biological calcifications is primarily a carbonate substituted calcium apatite. Integration of carbonate into two sites, substitution for phosphate (B-type carbonate) and substitution for hydroxide (A-type carbonate), influences the crystal properties which relate to the functional properties of bone. In the present work, a series of AB-type carbonated apatites (AB-CAp) having varying A-type and B-type carbonate weight fractions were prepared and analyzed by Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), and carbonate analysis. A detailed characterization of A-site and B-site carbonate assignment in the FTIR ν3 region is proposed. The mass fractions of carbonate in A-site and B-site of AB-CAp correlate differently with crystal axis length and crystallite domain size. In this series of samples reduction in crystal domain size correlates only with A-type carbonate which indicates that carbonate in the A-site is more disruptive to the apatite structure than carbonate in the B-site. High temperature methods were required to produce significant A-type carbonation of apatite, indicating a higher energy barrier for the formation of A-type carbonate than for B-type carbonate. This is consistent with the dominance of B-type carbonate substitution in low temperature synthetic and biological apatites.

  12. Behavior-based safety on construction sites: a case study.

    Science.gov (United States)

    Choudhry, Rafiq M

    2014-09-01

    This work presents the results of a case study and describes an important area within the field of construction safety management, namely behavior-based safety (BBS). This paper adopts and develops a management approach for safety improvements in construction site environments. A rigorous behavioral safety system and its intervention program was implemented and deployed on target construction sites. After taking a few weeks of safety behavior measurements, the project management team implemented the designed intervention and measurements were taken. Goal-setting sessions were arranged on-site with workers' participation to set realistic and attainable targets of performance. Safety performance measurements continued and the levels of performance and the targets were presented on feedback charts. Supervisors were asked to give workers recognition and praise when they acted safely or improved critical behaviors. Observers were requested to have discussions with workers, visit the site, distribute training materials to workers, and provide feedback to crews and display charts. They were required to talk to operatives in the presence of line managers. It was necessary to develop awareness and understanding of what was being measured. In the process, operatives learned how to act safely when conducting site tasks using the designed checklists. Current weekly scores were discussed in the weekly safety meetings and other operational site meetings with emphasis on how to achieve set targets. The reliability of the safety performance measures taken by the company's observers was monitored. A clear increase in safety performance level was achieved across all categories: personal protective equipment; housekeeping; access to heights; plant and equipment, and scaffolding. The research reveals that scores of safety performance at one project improved from 86% (at the end of 3rd week) to 92.9% during the 9th week. The results of intervention demonstrated large decreases in

  13. One-Tube-Only Standardized Site-Directed Mutagenesis: An Alternative Approach to Generate Amino Acid Substitution Collections.

    Directory of Open Access Journals (Sweden)

    Janire Mingo

    Full Text Available Site-directed mutagenesis (SDM is a powerful tool to create defined collections of protein variants for experimental and clinical purposes, but effectiveness is compromised when a large number of mutations is required. We present here a one-tube-only standardized SDM approach that generates comprehensive collections of amino acid substitution variants, including scanning- and single site-multiple mutations. The approach combines unified mutagenic primer design with the mixing of multiple distinct primer pairs and/or plasmid templates to increase the yield of a single inverse-PCR mutagenesis reaction. Also, a user-friendly program for automatic design of standardized primers for Ala-scanning mutagenesis is made available. Experimental results were compared with a modeling approach together with stochastic simulation data. For single site-multiple mutagenesis purposes and for simultaneous mutagenesis in different plasmid backgrounds, combination of primer sets and/or plasmid templates in a single reaction tube yielded the distinct mutations in a stochastic fashion. For scanning mutagenesis, we found that a combination of overlapping primer sets in a single PCR reaction allowed the yield of different individual mutations, although this yield did not necessarily follow a stochastic trend. Double mutants were generated when the overlap of primer pairs was below 60%. Our results illustrate that one-tube-only SDM effectively reduces the number of reactions required in large-scale mutagenesis strategies, facilitating the generation of comprehensive collections of protein variants suitable for functional analysis.

  14. Estimation of rates-across-sites distributions in phylogenetic substitution models.

    Science.gov (United States)

    Susko, Edward; Field, Chris; Blouin, Christian; Roger, Andrew J

    2003-10-01

    Previous work has shown that it is often essential to account for the variation in rates at different sites in phylogenetic models in order to avoid phylogenetic artifacts such as long branch attraction. In most current models, the gamma distribution is used for the rates-across-sites distributions and is implemented as an equal-probability discrete gamma. In this article, we introduce discrete distribution estimates with large numbers of equally spaced rate categories allowing us to investigate the appropriateness of the gamma model. With large numbers of rate categories, these discrete estimates are flexible enough to approximate the shape of almost any distribution. Likelihood ratio statistical tests and a nonparametric bootstrap confidence-bound estimation procedure based on the discrete estimates are presented that can be used to test the fit of a parametric family. We applied the methodology to several different protein data sets, and found that although the gamma model often provides a good parametric model for this type of data, rate estimates from an equal-probability discrete gamma model with a small number of categories will tend to underestimate the largest rates. In cases when the gamma model assumption is in doubt, rate estimates coming from the discrete rate distribution estimate with a large number of rate categories provide a robust alternative to gamma estimates. An alternative implementation of the gamma distribution is proposed that, for equal numbers of rate categories, is computationally more efficient during optimization than the standard gamma implementation and can provide more accurate estimates of site rates.

  15. The Substitutability of Cigarettes and Food: A Behavioral Economic Comparison in Normal Weight and Overweight or Obese Smokers

    Science.gov (United States)

    Murphy, Cara M.; Owens, Max M.; Sweet, Lawrence H.; MacKillop, James

    2017-01-01

    Obesity and cigarette smoking contribute to a multitude of preventable deaths in the US and eating and smoking behavior may influence each other. The field of behavioral economics integrates principles from psychology and economics and permits systematic examination of how commodities interrelate with one another. Using this framework, the current study evaluated the effects of rising food and cigarette prices on consumption to investigate their substitutability and their relationship to BMI and associated variables. Behavioral economics categorizes commodities as substitutable when the consumption of one increases as a function of a price increase in the other. Smokers (N = 86) completed a two-part hypothetical task in which money was allocated to purchase cigarettes and fast food-style reinforcers (e.g., hamburgers, ice cream) at various prices. Results indicated that food and cigarettes were not substitutes for one another (cross-price elasticity coefficients > .20). Food purchases were independent of cigarette price, whereas cigarette purchases decreased as food price rose. Cross-price elasticity coefficients were significantly associated with confidence in one’s ability to control weight without smoking (rs = −.23 and .29), but not BMI (rs = .04 and .04) or post-cessation weight concerns (rs = −.05 and .12). Perceived ability to manage weight without cigarettes may influence who substitutes food for cigarettes when quitting. In addition, given observed decreases in purchases of both commodities as food prices increased, these findings imply that greater taxation of fast food-style reinforcers could potentially reduce consumption of these foods and also cigarettes among smokers. PMID:27736143

  16. Substitutions in PBP3 confer resistance to both ampicillin and extended-spectrum cephalosporins in Haemophilus parainfluenzae as revealed by site-directed mutagenesis and gene recombinants

    DEFF Research Database (Denmark)

    Wienholtz, Nanna H; Ciechanowski, Aynur Barut; Nørskov-Lauritsen, Niels

    2017-01-01

    using site-directed mutagenesis. Recombinants were also generated using PCR-amplified ftsI from clinical strains encoding multiple amino acid substitutions. MICs of ampicillin, cefuroxime, cefotaxime and ceftriaxone were determined using Etest ® . Results: Transformation of a susceptible strain with fts...... for recombinants were lower than those for the donor strains. Using site-directed mutagenesis, no single substitution conferred resistance to the tested β-lactams, although V511A increased the MIC of cefuroxime to the intermediate category for intravenous administration. Recombinants encoding N526K...

  17. The effect of S-substitution at the O6-guanine site on the structure and dynamics of a DNA oligomer containing a G:T mismatch.

    Directory of Open Access Journals (Sweden)

    Elaine Ann Moore

    Full Text Available The effect of S-substitution on the O6 guanine site of a 13-mer DNA duplex containing a G:T mismatch is studied using molecular dynamics. The structure, dynamic evolution and hydration of the S-substituted duplex are compared with those of a normal duplex, a duplex with S-substitution on guanine, but no mismatch and a duplex with just a G:T mismatch. The S-substituted mismatch leads to cell death rather than repair. One suggestion is that the G:T mismatch recognition protein recognises the S-substituted mismatch (GS:T as G:T. This leads to a cycle of futile repair ending in DNA breakage and cell death. We find that some structural features of the helix are similar for the duplex with the G:T mismatch and that with the S-substituted mismatch, but differ from the normal duplex, notably the helical twist. These differences arise from the change in the hydrogen-bonding pattern of the base pair. However a marked feature of the S-substituted G:T mismatch duplex is a very large opening. This showed considerable variability. It is suggested that this enlarged opening would lend support to an alternative model of cell death in which the mismatch protein attaches to thioguanine and activates downstream damage-response pathways. Attack on the sulphur by reactive oxygen species, also leading to cell death, would also be aided by the large, variable opening.

  18. Networking for philanthropy: increasing volunteer behavior via social networking sites.

    Science.gov (United States)

    Kim, Yoojung; Lee, Wei-Na

    2014-03-01

    Social networking sites (SNSs) provide a unique social venue to engage the young generation in philanthropy through their networking capabilities. An integrated model that incorporates social capital into the Theory of Reasoned Action is developed to explain volunteer behavior through social networks. As expected, volunteer behavior was predicted by volunteer intention, which was influenced by attitudes and subjective norms. In addition, social capital, an outcome of the extensive use of SNSs, was as an important driver of users' attitude and subjective norms toward volunteering via SNSs.

  19. Effect of different substitution position on the switching behavior in single-molecule device with carbon nanotube electrodes

    Science.gov (United States)

    Yang, Jingjuan; Han, Xiaoxiao; Yuan, Peipei; Bian, Baoan; Wang, Yixiang

    2018-01-01

    We investigate the electronic transport properties of dihydroazulene (DHA) and vinylheptafulvene (VHF) molecule sandwiched between two carbon nanotubes using density functional theory and non-equilibrium Green's function. The device displays significantly switching behavior between DHA and VHF isomerizations. It is found the different substitution position of F in the molecule influences the switching ratio of device, which is analyzed by transmission spectra and molecular projected self-consistent Hamiltonian. The observed negative differential resistance effect is explained by transmission spectra and transmission eigenstates of transmission peak in the bias window. The observed reverse of current in VHF form in which two H atoms on the right side of the benzene ring of the molecule are replaced by F is explained by transmission spectra and molecule-electrode coupling with the varied bias. The results suggest that the reasonable substitution position of molecule may improve the switching ratio, displaying a potential application in future molecular circuit.

  20. Modeling how substitution of sedentary behavior with standing or physical activity is associated with health-related quality of life in colorectal cancer survivors

    OpenAIRE

    van Roekel, Eline H.; Bours, Martijn J. L.; Breedveld-Peters, Jos? J. L.; Willems, Paul J. B.; Meijer, Kenneth; Kant, IJmert; van den Brandt, Piet A.; Beets, Geerard L.; Sanduleanu, Silvia; Weijenberg, Matty P.

    2016-01-01

    Purpose Previous research indicates that sedentary behavior is unfavorably associated with health-related quality of life (HRQoL) of colorectal cancer (CRC) survivors. Using isotemporal substitution modeling, we studied how substituting sedentary behavior with standing or physical activity was associated with HRQoL in CRC survivors, 2?10?years post-diagnosis. Methods A cross-sectional study was conducted in stage I?III CRC survivors (n?=?145) diagnosed at Maastricht University Medical Center+...

  1. Enhanced bioactivity, biocompatibility and mechanical behavior of strontium substituted bioactive glasses.

    Science.gov (United States)

    Arepalli, Sampath Kumar; Tripathi, Himanshu; Hira, Sumit Kumar; Manna, Partha Pratim; Pyare, Ram; S P Singh

    2016-12-01

    Strontium contained biomaterials have been reported as a potential bioactive material for bone regeneration, as it reduces bone resorption and stimulates bone formation. In the present investigation, the bioactive glasses were designed to partially substitute SrO for SiO2 in Na2O-CaO-SrO-P2O5-SiO2 system. This work demonstrates that the substitution of SrO for SiO2 has got significant benefit than substitution for CaO in the bioactive glass. Bioactivity was assessed by the immersion of the samples in simulated body fluid for different intervals. The formation of hydroxy carbonate apatite layer was identified by X-ray diffractometry, scanning electron microscopy (SEM) and energy dispersive spectroscopy. The elastic modulus of the bioactive glasses was measured and found to increase with increasing SrO for SiO2. The blood compatibility of the samples was evaluated. In vitro cell culture studies of the samples were performed using human osteosarcoma U2-OS cell lines and found a significant improvement in cell viability and proliferation. The investigation showed enhancement in bioactivity, mechanical and biological properties of the strontia substituted for silica in glasses. Thus, these bioactive glasses would be highly potential for bone regeneration. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Enhanced bioactivity, biocompatibility and mechanical behavior of strontium substituted bioactive glasses

    Energy Technology Data Exchange (ETDEWEB)

    Arepalli, Sampath Kumar, E-mail: askumar.rs.cer11@iitbhu.ac.in [Department of Ceramic Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Tripathi, Himanshu [Department of Ceramic Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India); Hira, Sumit Kumar; Manna, Partha Pratim [Immunobiology Laboratory, Department of Zoology, Banaras Hindu University, Varanasi 221005 (India); Pyare, Ram; Singh, S.P. [Department of Ceramic Engineering, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005 (India)

    2016-12-01

    Strontium contained biomaterials have been reported as a potential bioactive material for bone regeneration, as it reduces bone resorption and stimulates bone formation. In the present investigation, the bioactive glasses were designed to partially substitute SrO for SiO{sub 2} in Na{sub 2}O–CaO–SrO–P{sub 2}O{sub 5}–SiO{sub 2} system. This work demonstrates that the substitution of SrO for SiO{sub 2} has got significant benefit than substitution for CaO in the bioactive glass. Bioactivity was assessed by the immersion of the samples in simulated body fluid for different intervals. The formation of hydroxy carbonate apatite layer was identified by X-ray diffractometry, scanning electron microscopy (SEM) and energy dispersive spectroscopy. The elastic modulus of the bioactive glasses was measured and found to increase with increasing SrO for SiO{sub 2}. The blood compatibility of the samples was evaluated. In vitro cell culture studies of the samples were performed using human osteosarcoma U2-OS cell lines and found a significant improvement in cell viability and proliferation. The investigation showed enhancement in bioactivity, mechanical and biological properties of the strontia substituted for silica in glasses. Thus, these bioactive glasses would be highly potential for bone regeneration. - Highlights: • The substitution of SrO was done for SiO{sub 2} in Na{sub 2}O–CaO–SrO–P{sub 2}O{sub 5}–SiO{sub 2} bioactive glass. • Network connectivity significantly influenced on bioactivity and biocompatibility. • In vitro SBF studies showed enhanced HCA crystallinity on the glass surface. • The cell culture studies exhibited better cell compatibility and significant growth. • Density and elastic moduli increased with increasing concentration of strontia.

  3. Enhanced bioactivity, biocompatibility and mechanical behavior of strontium substituted bioactive glasses

    International Nuclear Information System (INIS)

    Arepalli, Sampath Kumar; Tripathi, Himanshu; Hira, Sumit Kumar; Manna, Partha Pratim; Pyare, Ram; Singh, S.P.

    2016-01-01

    Strontium contained biomaterials have been reported as a potential bioactive material for bone regeneration, as it reduces bone resorption and stimulates bone formation. In the present investigation, the bioactive glasses were designed to partially substitute SrO for SiO 2 in Na 2 O–CaO–SrO–P 2 O 5 –SiO 2 system. This work demonstrates that the substitution of SrO for SiO 2 has got significant benefit than substitution for CaO in the bioactive glass. Bioactivity was assessed by the immersion of the samples in simulated body fluid for different intervals. The formation of hydroxy carbonate apatite layer was identified by X-ray diffractometry, scanning electron microscopy (SEM) and energy dispersive spectroscopy. The elastic modulus of the bioactive glasses was measured and found to increase with increasing SrO for SiO 2 . The blood compatibility of the samples was evaluated. In vitro cell culture studies of the samples were performed using human osteosarcoma U2-OS cell lines and found a significant improvement in cell viability and proliferation. The investigation showed enhancement in bioactivity, mechanical and biological properties of the strontia substituted for silica in glasses. Thus, these bioactive glasses would be highly potential for bone regeneration. - Highlights: • The substitution of SrO was done for SiO 2 in Na 2 O–CaO–SrO–P 2 O 5 –SiO 2 bioactive glass. • Network connectivity significantly influenced on bioactivity and biocompatibility. • In vitro SBF studies showed enhanced HCA crystallinity on the glass surface. • The cell culture studies exhibited better cell compatibility and significant growth. • Density and elastic moduli increased with increasing concentration of strontia.

  4. Investigation of user behavior on social networking sites.

    Science.gov (United States)

    Waheed, Hajra; Anjum, Maria; Rehman, Mariam; Khawaja, Amina

    2017-01-01

    Social networking sites (SNS) are used for social and professional interaction with people. SNS popularity has encouraged researchers to analyze the relationship of activities performed on SNS with user behavior. In doing so, the term "user behavior" is rather used ambiguously with different interpretations, which makes it difficult to identify studies on user behavior in relation to SNS. This phenomenon has encouraged this thorough research on the characteristics of user behavior being discussed in the literature. Therefore, in this study, we aim to identify, analyze, and classify the characteristics associated with user behavior to answer the research questions designed to conduct this research. A mapping study (also called scoping study), which is a type of systematic literature review, is employed to identify potential studies from digital databases through a developed protocol. Thematic analysis is carried out for the classification of user behavior. We identified 116 primary studies for full analysis. This study found seven characteristics associated with behavior that have direct influence on SNS use and nine factors that have an indirect effect. All studies were conducted largely under seven areas that set the context of these studies. Findings show that the research on SNS is still in its early stage. The range of topics covered in the analyzed studies is quite expansive, although the depth in terms of number of studies under each topic is quite limited. This study reports that activities performed on SNS are either associated with user behavior or reflect personality characteristics. The findings of this study could be used by practitioners to evaluate their SNS platforms and develop more user-centered applications. These studies can also help organizations to understand better the needs of their employees.

  5. Investigation of user behavior on social networking sites.

    Directory of Open Access Journals (Sweden)

    Hajra Waheed

    Full Text Available Social networking sites (SNS are used for social and professional interaction with people. SNS popularity has encouraged researchers to analyze the relationship of activities performed on SNS with user behavior. In doing so, the term "user behavior" is rather used ambiguously with different interpretations, which makes it difficult to identify studies on user behavior in relation to SNS. This phenomenon has encouraged this thorough research on the characteristics of user behavior being discussed in the literature. Therefore, in this study, we aim to identify, analyze, and classify the characteristics associated with user behavior to answer the research questions designed to conduct this research. A mapping study (also called scoping study, which is a type of systematic literature review, is employed to identify potential studies from digital databases through a developed protocol. Thematic analysis is carried out for the classification of user behavior. We identified 116 primary studies for full analysis. This study found seven characteristics associated with behavior that have direct influence on SNS use and nine factors that have an indirect effect. All studies were conducted largely under seven areas that set the context of these studies. Findings show that the research on SNS is still in its early stage. The range of topics covered in the analyzed studies is quite expansive, although the depth in terms of number of studies under each topic is quite limited. This study reports that activities performed on SNS are either associated with user behavior or reflect personality characteristics. The findings of this study could be used by practitioners to evaluate their SNS platforms and develop more user-centered applications. These studies can also help organizations to understand better the needs of their employees.

  6. Oxygen-storage behavior and local structure in Ti-substituted YMnO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Levin, I., E-mail: igor.levin@nist.gov [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Krayzman, V.; Vanderah, T.A. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Tomczyk, M. [Department of Ceramics and Glass Engineering, University of Aveiro, Aveiro 3810-193 (Portugal); Wu, H. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Tucker, M.G. [Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN (United States); Playford, H.Y. [ISIS Facility, Rutherford Appleton Laboratory, Didcot, Oxford (United Kingdom); Woicik, J.C.; Dennis, C.L. [National Institute of Standards and Technology, Gaithersburg, MD 20899 (United States); Vilarinho, P.M. [Department of Ceramics and Glass Engineering, University of Aveiro, Aveiro 3810-193 (Portugal)

    2017-02-15

    Hexagonal manganates RMnO{sub 3} (R=Y, Ho, Dy) have been recently shown to exhibit oxygen-storage capacities promising for three-way catalysts, air-separation, and related technologies. Here, we demonstrate that Ti substitution for Mn can be used to chemically tune the oxygen-breathing properties of these materials towards practical applications. Specifically, Y(Mn{sub 1−x}Ti{sub x})O{sub 3} solid solutions exhibit facile oxygen absorption/desorption via reversible Ti{sup 3+}↔Ti{sup 4+} and Mn{sup 3+}↔Mn{sup 4+} reactions already in ambient air at ≈400 °C and ≈250 °C, respectively. On cooling, the oxidation of both cations is accompanied by oxygen uptake yielding a formula YMn{sup 3+}{sub 1−x-y}Mn{sup 4+}{sub y}Ti{sup 4+}{sub x}O{sub 3+δ}. The presence of Ti promotes the oxidation of Mn{sup 3+} to Mn{sup 4+}, which is almost negligible for YMnO{sub 3} in air, thereby increasing the uptake of oxygen beyond that required for a given Ti{sup 4+} concentration. The reversibility of the redox reactions is limited by sluggish kinetics; however, the oxidation process continues, if slowly, even at room temperature. The extra oxygen atoms are accommodated by the large interstices within a triangular lattice formed by the [MnO{sub 5}] trigonal bipyramids. According to bond distances from Rietveld refinements using the neutron diffraction data, the YMnO{sub 3} structure features under-bonded Mn and even more severely under-bonded oxygen atoms that form the trigonal bases of the [MnO{sub 5}] bipyramids. The tensile bond strain around the 5-fold coordinated Mn site and the strong preference of Ti{sup 4+}(and Mn{sup 4+}) for higher coordination numbers likely provide driving forces for the oxidation reaction. Reverse Monte Carlo refinements of the local atomic displacements using neutron total scattering revealed how the excess oxygen atoms are accommodated in the structure by correlated local displacements of the host atoms. Large displacements of the under

  7. Effect of dipole moment and conformation on the mesophase behavior of di-laterally substituted phenylazophenyl benzoate liquid crystals

    International Nuclear Information System (INIS)

    Naoum, M.M.; Ahmed, H.A.

    2011-01-01

    Highlights: → Four homologous series of di-laterally substituted derivatives were prepared. → Measurement of the dipole moment and comparing it with those calculated for the various planner conformations. → Binary phase diagrams were constructed for mixtures made from any two analogues of different central lateral substituents. → Mesophase behavior is related to conformation. → The two molecules in all mixtures investigated are arranged in a back-to-face pattern. - Abstract: The dipole moments of the previously prepared 4-(3'-fluoro phenylazo)-2-(or 3-) substituted phenyl-4''-alkoxybenzoates (In a-d ), have been determined in benzene at 30 o C. The data obtained were compared with those theoretically calculated by molecular modeling program to deduce the most probable conformations for each individual homologous series. Probable conformations deduced were found to vary according to type and position of the lateral substituent attached to the central benzene ring. The results were used to correlate the mesophase behavior, in pure and mixed derivatives, with the conformation deduced for each series. Each homologous series, that have in common a lateral fluorine atom on the first terminal ring, differs from the other by a second lateral group substituted on the central ring. The latter group varies between 2-CH 3 , 3-CH 3 , 2-Cl and 3-CN groups. Within each homologous series, the number of carbons in the other terminal alkoxy group varies between 8 and 16 carbons. The study aims to investigate the steric effect of the spatial orientation of the central lateral substituent, based on deduced conformations, on the mesomorphic properties in their pure or mixed states. The mesophase behavior was investigated via differential scanning calorimetry, DSC, and mesophases identified by polarized light microscopy, PLM.

  8. Evidence for reentrant spin glass behavior in transition metal substituted Co-Ga alloys near critical concentration

    Science.gov (United States)

    Yasin, Sk. Mohammad; Srinivas, V.; Kasiviswanathan, S.; Vagadia, Megha; Nigam, A. K.

    2018-04-01

    In the present study magnetic and electrical transport properties of transition metal substituted Co-Ga alloys (near critical cobalt concentration) have been investigated. Analysis of temperature and field dependence of dc magnetization and ac susceptibility (ACS) data suggests an evidence of reentrant spin glass (RSG) phase in Co55.5TM3Ga41.5 (TM = Co, Cr, Fe, Cu). The magnetic transition temperatures (TC and Tf) are found to depend on the nature of TM element substitution with the exchange coupling strength Co-Fe > Co-Co > Co-Cu > Co-Cr. From magnetization dynamics precise transition temperatures for the glassy phases are estimated. It is found that characteristic relaxation times are higher than that of spin glasses with minimal spin-cluster formation. The RSG behavior has been further supported by the temperature dependence of magnetotransport studies. From the magnetic field and substitution effects it has been established that the magnetic and electrical transport properties are correlated in this system.

  9. Base-repair substitutions alter the site-specific mutagenicity of UV and MNNG in the SUP4-o gene of the yeast

    International Nuclear Information System (INIS)

    Kunz, B.A.; Ayre, B.G.; Downes, A.M.T.; Kohalmi, S.E.; McMaster, C.R.; Peters, M.G.

    1989-01-01

    Yeast strains carrying SUP4-ogenes that habe base-pair substitutions at hotspots for UV or MNNG mutagenesis were treated with these agents. In both cases, the induced mutation frequencies were substantially reduced. Furthermore, specific substitutions at positions in SUP4-o that had not been mutated by MNNG resulted in the recovery of MNNG-induced mutations at these sites. These results demonstrate that base-pair identity is an important factor determining the site-specific mutagenicity of UV and MNNG in yeast. For UV, our findings suggest that the type of lesion that is induced, but not flanking DNA sequences, plays a role in specifying mutability at the sites examined. In contrast, DNA sequence context seems to be an important factor for MNNG mutagenesis. (author). 19 refs.; 3 tabs

  10. Facile on-site detection of substituted aromatic pollutants in water using thin layer chromatography combined with surface-enhanced Raman spectroscopy.

    Science.gov (United States)

    Li, Dawei; Qu, Lulu; Zhai, Wenlei; Xue, Jinqun; Fossey, John S; Long, Yitao

    2011-05-01

    A novel facile method for on-site detection of substituted aromatic pollutants in water using thin layer chromatography (TLC) combined with surface-enhanced Raman spectroscopy (SERS) was explored. Various substituted aromatics in polluted water were separated by a convenient TLC protocol and then detected using a portable Raman spectrometer with the prepared silver colloids serving as SERS-active substrates. The effects of operating conditions on detection efficacy were evaluated, and the application of TLC-SERS to on-site detection of artificial and real-life samples of aromatics/polluted water was systematically investigated. It was shown that commercially available Si 60-F(254) TLC plates were suitable for separation and displayed low SERS background and good separation efficiency, 2 mM silver colloids, 20 mM NaCl (working as aggregating agent), 40 mW laser power, and 50 s intergration time were appropriate for the detection regime. Furthermore, qualitative and quantitative detection of most of substituted aromatic pollutants was found to be readily accomplished using the developed TLC-SERS technique, which compared well with GC-MS in terms of identification ability and detection accuracy, and a limit of detection (LOD) less than 0.2 ppm (even at ppb level for some analytes) could be achieved under optimal conditions. The results reveal that the presented convenient method could be used for the effective separation and detection of the substituted aromatic pollutants of water on site, thus reducing possible influences of sample transportation and contamination while shortening the overall analysis time for emergency and routine monitoring of the substituted aromatics/polluted water.

  11. Polarity dependent photoisomerization of ether substituted azodyes: Synthesis and photoswitching behavior.

    Science.gov (United States)

    Gan, Siew Mei; Pearl, Zynia Fernandes; Yuvaraj, A R; Lutfor, M R; Gurumurthy, Hegde

    2015-10-05

    Two new ether substituted azodyes were synthesized and characterized by different spectral analysis such as (1)H NMR, (13)C NMR, FTIR and UV/Vis. Synthesized compounds were used to study the photoisomerization phenomenon by using UV-Vis spectro-photometer. Interesting polarity dependent effect is observed for the first time on these materials. Trans-cis (E-Z) and cis-trans (Z-E) conversion occurred within 41 s and 445 min, respectively for both the compounds in solutions. Polarizing optical microscopy studies revealed that there is no liquid crystal phase for both the compounds. The dramatic variation in the optical property is speculated to be the polarity of the chemical species. These derivatives are useful to fabricate optical data storage devices. Copyright © 2015 Elsevier B.V. All rights reserved.

  12. Effects of Sr-substitution on the structural and magnetic behavior of Ba-based Y-type hexagonal ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Mukhtar, E-mail: mukhtarahmad25@gmail.com [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); Ali, Qasim; Ali, Ihsan; Ahmad, Ishtiaq [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); Azhar Khan, M. [Department of Physics, The Islamia University of Bahawalpur 63100 (Pakistan); Akhtar, Majid Niaz [Department of Physics, COMSATS Institute of Information Technology, Lahore (Pakistan); Murtaza, G. [Centre for Advanced Studies in Physics, G.C. University, Lahore (Pakistan); Rana, M.U., E-mail: mazharrana@bzu.edu.pk [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan)

    2013-12-15

    Highlights: •Sr-substituted Y-type hexaferrites synthesized by sol–gel method have been investigated. •Platelet grains with well defined hexagonal shape are suitable for microwave absorbers. •Saturation magnetization values were calculated by the law of approach to saturation. •Coercivity of a few hundred oersteds found for all samples is suitable for EM materials. -- Abstract: Sr-substituted samples of Y-type hexagonal ferrites with chemical formula Ba{sub 2−x}Sr{sub x}Ni{sub 2}Fe{sub 12}O{sub 22} (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were synthesized using the sol–gel autocombustion method and were sintered at 1150 °C for 3 h. The samples were investigated by differential thermal and thermogravimetry analysis, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy and vibrating sample magnetometry. X-ray diffraction analysis reveals that single phase samples can be achieved by substituting Sr{sup 2+} ions at Ba{sup 2+} sites in Y-type hexagonal ferrites. X-ray density and bulk density were observed to decrease whereas porosity increased with increasing Sr-concentration. All the samples show well defined hexagonal shape which is favorable for microwave absorbing purposes. The saturation magnetization values were calculated from M–H loops by the law of approach to saturation. The loops show low values of coercivity of a few hundred oersteds which is one of the necessary conditions for electromagnetic (EM) materials and is suitable for security, switching, sensing and high frequency applications.

  13. Effects of Sr-substitution on the structural and magnetic behavior of Ba-based Y-type hexagonal ferrites

    International Nuclear Information System (INIS)

    Ahmad, Mukhtar; Ali, Qasim; Ali, Ihsan; Ahmad, Ishtiaq; Azhar Khan, M.; Akhtar, Majid Niaz; Murtaza, G.; Rana, M.U.

    2013-01-01

    Highlights: •Sr-substituted Y-type hexaferrites synthesized by sol–gel method have been investigated. •Platelet grains with well defined hexagonal shape are suitable for microwave absorbers. •Saturation magnetization values were calculated by the law of approach to saturation. •Coercivity of a few hundred oersteds found for all samples is suitable for EM materials. -- Abstract: Sr-substituted samples of Y-type hexagonal ferrites with chemical formula Ba 2−x Sr x Ni 2 Fe 12 O 22 (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were synthesized using the sol–gel autocombustion method and were sintered at 1150 °C for 3 h. The samples were investigated by differential thermal and thermogravimetry analysis, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray spectroscopy and vibrating sample magnetometry. X-ray diffraction analysis reveals that single phase samples can be achieved by substituting Sr 2+ ions at Ba 2+ sites in Y-type hexagonal ferrites. X-ray density and bulk density were observed to decrease whereas porosity increased with increasing Sr-concentration. All the samples show well defined hexagonal shape which is favorable for microwave absorbing purposes. The saturation magnetization values were calculated from M–H loops by the law of approach to saturation. The loops show low values of coercivity of a few hundred oersteds which is one of the necessary conditions for electromagnetic (EM) materials and is suitable for security, switching, sensing and high frequency applications

  14. Atropisomerism about Aryl-C(sp(3)) Bonds: Conformational Behavior of Substituted Phenylcyclohexanes in Solution.

    Science.gov (United States)

    Flos, Manon; Lameiras, Pedro; Denhez, Clément; Mirand, Catherine; Berber, Hatice

    2016-03-18

    A catalytic hydrogenation of cannabidiol derivatives known as phenylcyclohexenes was used to prepare epimeric (1R,1S) and/or rotameric (M,P) phenylcyclohexanes. The reaction is diastereoselective, in favor of the 1S epimer, when large groups are attached to the phenyl ring. For each epimer, variable-temperature NMR experiments, including EXSY spectroscopy and DFT calculations, were used to determine the activation energies of the conformational exchange arising from the restricted rotation about the aryl-C(sp(3)) bond that led to two unequally populated rotamers. The conformational preference arises essentially from steric interactions between substituents vicinal to the pivot bond. The conformers of epimers (1S)-2e,f show high rotational barriers of up to 92 kJ mol(-1), unlike those of (1R)-2e,f and with much lower barriers of ∼72 kJ mol(-1). The height of the barriers not only depends on the substituents at the axis of chirality but also is influenced by the position of a methyl group on the monoterpene ring. The feature most favorable to high rotational barriers is when the methyl at C1 lies equatorially. This additional substituent effect, highlighted for the first time, seems fundamental to allowing atropisomerism in hindered ortho-substituted phenylcyclohexanes.

  15. Polarization fluctuation behavior of lanthanum substituted Bi{sub 4}Ti{sub 3}O{sub 12} thin films

    Energy Technology Data Exchange (ETDEWEB)

    Zhong, Ni; Xiang, Ping-Hua, E-mail: phxiang@ee.ecnu.edu.cn; Zhang, Yuan-Yuan; Wu, Xing; Tang, Xiao-Dong; Yang, Ping-Xiong; Duan, Chun-Gang; Chu, Jun-Hao [Key Laboratory of Polar Materials and Devices, Ministry of Education, Department of Electronic Engineering, East China Normal University, Shanghai 200241 (China)

    2015-09-14

    Polarization fluctuation behavior of lanthanum substituted Bi{sub 4}Ti{sub 3}O{sub 12} (Bi{sub 4−x}La{sub x}Ti{sub 3}O{sub 12}, BLT) ferroelectric thin films has been examined. Remnant polarization exhibits an initial increase (P{sub up}, 1–10{sup 6} cycles) and a subsequent decrease (P{sub down}, 10{sup 6}–10{sup 9} cycles) with switching cycles, whereas the dielectric constant exhibits a continuous decrease. By careful investigations on the effect of switching frequency and annealing atmosphere on the polarization fluctuation characteristics, we propose that this polarization fluctuation characteristic of BLT films is attributed to the competition between domain pinning and passive layer growing effect, due to the redistribution of oxygen vacancy related defect under external applied field. P{sub up} behavior is dominated by the unpinning of pinned domain, while P{sub down} behavior is dominated by the reduction of applied field on BLT bulk layer, due to the growing of the passive layer between BLT and Pt electrode. By assuming the dielectric constant and initial thickness of passive layer, the passive layer was estimated to be about 2–5 times thicker than the initial state after 10{sup 9} cycling.

  16. Other ways of seeing: From behavior to neural mechanisms in the online “visual” control of action with sensory substitution

    Science.gov (United States)

    Proulx, Michael J.; Gwinnutt, James; Dell’Erba, Sara; Levy-Tzedek, Shelly; de Sousa, Alexandra A.; Brown, David J.

    2015-01-01

    Vision is the dominant sense for perception-for-action in humans and other higher primates. Advances in sight restoration now utilize the other intact senses to provide information that is normally sensed visually through sensory substitution to replace missing visual information. Sensory substitution devices translate visual information from a sensor, such as a camera or ultrasound device, into a format that the auditory or tactile systems can detect and process, so the visually impaired can see through hearing or touch. Online control of action is essential for many daily tasks such as pointing, grasping and navigating, and adapting to a sensory substitution device successfully requires extensive learning. Here we review the research on sensory substitution for vision restoration in the context of providing the means of online control for action in the blind or blindfolded. It appears that the use of sensory substitution devices utilizes the neural visual system; this suggests the hypothesis that sensory substitution draws on the same underlying mechanisms as unimpaired visual control of action. Here we review the current state of the art for sensory substitution approaches to object recognition, localization, and navigation, and the potential these approaches have for revealing a metamodal behavioral and neural basis for the online control of action. PMID:26599473

  17. Influence of substitution of La by Ce on the glass forming ability and crystallization behavior of Al–Ni–La alloys

    International Nuclear Information System (INIS)

    Zhang, Z.; Xiong, X.Z.; Zhou, W.; Li, J.F.

    2013-01-01

    Highlights: •Wedge-shaped samples were suction cast with casting conditions controlled. •Partial substitution of La by Ce decreases the GFA of Al 85.5 Ni 9.5 La 5 . •Partial substitution of La by Ce increases the GFA of other Al–Ni–La alloys. •The GFA was analyzed from the thermodynamic and topological points of view. -- Abstract: Wedge-shaped samples of Al–Ni–(La–Ce) alloys were suction cast under an identical preparation condition, and their glass forming abilities (GFAs) and crystallization behaviors were compared. It was revealed that the partial substitution of La by Ce decreases the GFA of Al 85.5 Ni 9.5 La 5 alloy but increases the GFAs of Al 87.5 Ni 7.5 La 5 , Al 86.5 Ni 8.5 La 5 , Al 86 Ni 9 La 5 and Al 86 Ni 9.5 La 4.5 alloys. Meantime the crystallization behavior significantly changes. The optimal substitution content of La for glass formation depends on the composition of the base alloy. The lower the Ni content in the base alloy, the more the La content to be substituted. The GFA change with the substitution content is determined by the atomic packing efficiencies of the La (Ce)-centered clusters

  18. A-Site Cation Substitutions in Strained Y-Doped BaZrO3 Multilayer Films Leading to Fast Proton Transport Pathways

    Energy Technology Data Exchange (ETDEWEB)

    Aruta, Carmela [Univ. of Roma Tor Vergata, Rome (Italy); Han, Chu [Georgia Inst. of Technology, Atlanta, GA (United States); Zhou, Si [Dalian Univ. of Technology, Dalian (China); Cantoni, Claudia [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yang, Nan [Univ. of Roma Tor Vergata, Rome (Italy); Tebano, Antonello [Univ. of Roma Tor Vergata, Rome (Italy); Lee, Tien -Lin [Diamond Light Source Ltd., Didcot (United Kingdom); Schlueter, Christoph [Diamond Light Source Ltd., Didcot (United Kingdom); Bongiorno, Angelo [College of Staten Island, Staten Island, NY (United States); The Graduate Center of the City Univ. of New York, New York, NY (United States)

    2016-03-31

    Proton-conducting perovskite oxides form a class of solid electrolytes for novel electrochemical devices operating at moderate temperatures. Here, we use hard X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and density functional theory calculations to investigate the structure and elucidate the origin of the fast proton transport properties of strained ultrathin films of Y-doped BaZrO3 grown by pulsed lased deposition on NdGaO3. Our study shows that our BaZr0.8Y0.2O3 films incorporate a significant amount of Y dopants, and to a lesser extent also Zr ions, substituting for Ba2+, and that these substitutional defects agglomerate forming columnar regions crossing vertically from the surface to the interface the entire film. In conclusion, our calculations also show that, in regions rich in Y substitutions for both Zr and Ba, the proton transfer process involves nearly zero-energy barriers, indicating that A-site cation substitutions by Y lead to fast transport pathways and hence are responsible for the previously observed enhanced values of the proton conductivity of these perovskite oxide films.

  19. Analysis of NFU-1 metallocofactor binding-site substitutions-impacts on iron-sulfur cluster coordination and protein structure and function.

    Science.gov (United States)

    Wesley, Nathaniel A; Wachnowsky, Christine; Fidai, Insiya; Cowan, J A

    2017-11-01

    Iron-sulfur (Fe/S) clusters are ancient prosthetic groups found in numerous metalloproteins and are conserved across all kingdoms of life due to their diverse, yet essential functional roles. Genetic mutations to a specific subset of mitochondrial Fe/S cluster delivery proteins are broadly categorized as disease-related under multiple mitochondrial dysfunction syndrome (MMDS), with symptoms indicative of a general failure of the metabolic system. Multiple mitochondrial dysfunction syndrome 1 (MMDS1) arises as a result of the missense mutation in NFU1, an Fe/S cluster scaffold protein, which substitutes a glycine near the Fe/S cluster-binding pocket to a cysteine (p.Gly208Cys). This substitution has been shown to promote protein dimerization such that cluster delivery to NFU1 is blocked, preventing downstream cluster trafficking. However, the possibility of this additional cysteine, located adjacent to the cluster-binding site, serving as an Fe/S cluster ligand has not yet been explored. To fully understand the consequences of this Gly208Cys replacement, complementary substitutions at the Fe/S cluster-binding pocket for native and Gly208Cys NFU1 were made, along with six other variants. Herein, we report the results of an investigation on the effect of these substitutions on both cluster coordination and NFU1 structure and function. The data suggest that the G208C substitution does not contribute to cluster binding. Rather, replacement of the glycine at position 208 changes the oligomerization state as a result of global structural alterations that result in the downstream effects manifest as MMDS1, but does not perturb the coordination chemistry of the Fe-S cluster. © 2017 Federation of European Biochemical Societies.

  20. Influence of Ni substitution at B-site for Fe{sup 3+} ions on morphological, optical, and magnetic properties of HoFeO{sub 3} ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Habib, Zubida; Majid, Kowsar [National Institute of Technology, Department of Chemistry, Srinagar (India); Ikram, Mohd; Sultan, Khalid; Mir, Sajad Ahmad [National Institute of Technology, Department of Physics, Srinagar (India); Asokan, K. [Inter University Accelerator Centre, New Delhi (India)

    2016-05-15

    Present study reports the effect of Ni substitution at B-site in HoFeO{sub 3} on the morphological, optical and magnetic properties. These compounds were prepared by solid-state reaction method. Scanning electron microscope reveals an increase in average grain sizes with Ni concentration. Absorption and emission spectra show redshift in band gap with increase in Ni ion concentrations. The Tauc plots show direct allowed transitions. Temperature-dependent magnetization studies on these compounds revealed the transition from ferromagnetism to paramagnetism. There is separation between temperature at which zero-field-cooled and field-cooled occurs at varied temperature with Ni substitution. The separation effect is related to the impact of the paramagnetic Ho{sup 3+} ions, whose magnitude becomes more prominent at higher temperature. The value of squareness ratio in these materials is below 0.5 indicating presence of multidomain structures. (orig.)

  1. Effect of W substitution for Mo on stress corrosion cracking behavior of 25Cr-7Ni duplex stainless steel

    International Nuclear Information System (INIS)

    Ha, Tae Hong; Kim, Kyoo Young

    1998-01-01

    The effect of W substitution for Mo in duplex stainless steel (DSS) was investigated with respect to microstructure and stress corrosion cracking behavior. Homogenizing treatment was performed at 1100.deg.C for 10 minutes, while aging treatment was performed at 900.deg.C with different holding times. In homogenized condition, regardless of W substitution, all the specimens had the nearly equal volume-ratio of ferrite and austenite, and had no secondary phase precipitation. On aging, the W modification on suppression of secondary phase precipitation was very effective. Total amount of secondary phase precipitates was greatly reduced in the W-modified DSS in the early stage of the ageing treatment comparing to the commercial grade DSS without W modification. However, this effect was reduced rapidly as the aging time increased. Stress corrosion cracking(SCC) was examined in boil-ing 42% MgCl 2 solution by slow strain rate test(SSRT) and constant load test (CLT). Under the homogenized condition, the beneficial effect of W was clearly observed at the low applied stress levels where the electrochemical action plays a dominant role. In the commercial grade DSS without W modification, the crack propagated in a trans-phase mode,whereas in the W-modified DSS, the crack propagated in a mixed mode of trans-phase and inter-phase due to barrier effect of austenite phase against crack growth. Under the aged condition, the signification improvement in SCC resistance of the aged DSS specimens with W modification resulted from increase in toughness due to a relatively small amount of the brittle secondary phase precipitates. However, the cracks propagated in a trans-phase mode in the DSS specimens regardless of W modification

  2. Culture-Free Leadership Effectiveness Versus Moderators of Leadership Behavior: An Extension and Test of Kerr and Jermier's “Substitutes for Leadership” Model in Taiwan

    OpenAIRE

    Jiing-Lih Farh; Philip M Podsakoff; Bor-Shiuan Cheng

    1987-01-01

    This study was designed to examine whether several situation variables serve as moderators of the effects of leader reward and punishment behaviors for Taiwanese workers. Contrary to what would be expected from Kerr and Jermier's (1978) substitutes for leadership model, none of the situational variables was found to reverse (1) the positive relationship between leader contingent reward behavior and subordinate performance or satisfaction, or (2) the generally negative relationship between lea...

  3. Interactivity in brand web sites: cognitive, affective, and behavioral responses explained by consumers’ online flow experience

    NARCIS (Netherlands)

    van Noort, G.; Voorveld, H.A.M.; van Reijmersdal, E.A.

    2012-01-01

    Web site interactivity creates numerous opportunities for marketers to persuade online consumers and receives extensive attention in the marketing literature. However, research on cognitive and behavioral responses to web site interactivity is scarce, and more importantly, it does not provide

  4. A-site substitution effect of strontium on bismuth layered CaBi4Ti4O15 ceramics on electrical and piezoelectric properties

    International Nuclear Information System (INIS)

    Tanwar, Amit; Verma, Maya; Gupta, Vinay; Sreenivas, K.

    2011-01-01

    Strontium substituted CaBi 4 Ti 4 O 15 ceramics with the chemical formula Ca 1-x Sr x Bi 4 Ti 4 O 15 (CSBT) (x = 0.0-1.0) have been prepared through conventional solid state route. The formation of single phase material with orthorhombic structure was verified from X-ray diffraction with incorporation of Sr substitution. Decrease in a-axis displacement of Bi ion in the perovskite structure in the CSBT ceramics were observed from the relative changes in soft mode (20 cm -1 ) in the Raman spectra, and increase in Sr incorporation shows the shift in ferroelectric to paraelectric phase transition temperature. The dielectric properties for all the CSBT ceramic compositions are studied as a function of temperature over the frequency range of 100 Hz-1 MHz. Curie's temperature was found to be function of Sr substitution and with increase in the Sr concentration the phase transition becomes sharper and phase transition temperature gets shifted towards lower temperature (790-545 deg. C). The behavior of ac conductivity as a function of frequency (100 Hz-1 MHz) at low temperature ( 33 ) whereas piezoelectric charge coefficient values were found comparable to that of PZT at room temperature. Relative changes in soft modes due to Sr incorporation results in high piezoelectricity in the CSBT ceramics.

  5. The influence of Zr substitution for Nb on the corrosion behaviors of the Ni-Nb-Zr bulk metallic glasses

    Science.gov (United States)

    Li, DengKe; Zhu, ZhengWang; Zhang, HaiFeng; Wang, AiMin; Hu, ZhuangQi

    2012-12-01

    The influence of Zr content on corrosion behaviors of the Ni61.5Nb38.5- x Zr x ( x=1, 3, 5, 7, 9 at.%) bulk metallic glasses (BMGs) in 1 M HCl aqueous solution was investigated by potentiodynamic polarization measurements and X-ray photo-electron spectroscopy (XPS). It was found that these BMG alloys possess superior corrosion resistance, that is, with large passive region of about 1.5 V and low passive current density (as low as 0.05 Am-2 for Ni61.5Nb31.5Zr7). XPS analysis indicates that the high corrosion resistance is attributed to the formation of Nb- and Zr-enriched surface films formed in the aggressive acid solution. The Zr substitution for Nb effectively reduces the Ni content, particularly the metallic state Ni content in the surface films, which depresses the electrical conduction of the surface films and reduces the passive current density, thus leading to the enhancement of the corrosion resistance of these Ni-Nb-Zr BMGs. These alloys may potentially be useful for engineering applications.

  6. An analysis of the hypothalamic sites at which substituted benzamide drugs act to facilitate gastric emptying in the guinea-pig.

    Science.gov (United States)

    Costall, B; Gunning, S J; Naylor, R J

    1985-09-01

    An analysis of the hypothalamic sites at which the substituted benzamides, metoclopramide and clebopride, act to facilitate gastric emptying was undertaken in the guinea-pig. Standard stereotaxic techniques for intracerebral injection via chronically indwelling intracerebral guides were combined with measurement of gastric emptying by fluoroscopic following of the passage of barium sulphate spheroids from the stomach. Injections were made at 7 different locations within the hypothalamus at Ant. 8.0, 8.9 and 9.6, Lat. +/- 1.0, +/- 1.6, +/- 2.2 (relative to the stereotaxic frame) and at 7.0, 8.0 and 9.0 mm below guide tips in the cortex. The most sensitive sites for gastric facilitation by the substituted benzamides were located at Ant. 8.9, Lat. +/- 1.6, Vert. -8.0, -9.0, the "perifornical area". As the distance of the injection site from the area of the fornix increased, so the facilitatory gastric action diminished, with marked delays or loss in response occurring when injection sites were moved 1 mm above, 0.6 mm lateral, 0.4 mm medial, 0.9 mm posterior or 0.7 mm anterior. The facilitatory gastric actions of metoclopramide and clebopride in the perifornical area of the hypothalamus were not mimicked by haloperidol, domperidone or sulpiride. Atropine, injected into the hypothalamus, markedly reduced gastric emptying; hexamethonium was less effective, and phentolamine, propranolol and methysergide were inactive. Atropine (but not hexamethonium, phentolamine, propranolol or methysergide), injected into the hypothalamus, dose-dependently antagonised the facilitatory gastric action of metoclopramide injected at the same site. Carbachol (but not serotonin, noradrenaline, dopamine or apomorphine), injected into the perifornical area, caused marked facilitation of gastric emptying.(ABSTRACT TRUNCATED AT 250 WORDS)

  7. Influence of substitution of La by Ce on the glass forming ability and crystallization behavior of Al–Ni–La alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z.; Xiong, X.Z.; Zhou, W.; Li, J.F., E-mail: jfli@sjtu.edu.cn

    2013-11-05

    Highlights: •Wedge-shaped samples were suction cast with casting conditions controlled. •Partial substitution of La by Ce decreases the GFA of Al{sub 85.5}Ni{sub 9.5}La{sub 5}. •Partial substitution of La by Ce increases the GFA of other Al–Ni–La alloys. •The GFA was analyzed from the thermodynamic and topological points of view. -- Abstract: Wedge-shaped samples of Al–Ni–(La–Ce) alloys were suction cast under an identical preparation condition, and their glass forming abilities (GFAs) and crystallization behaviors were compared. It was revealed that the partial substitution of La by Ce decreases the GFA of Al{sub 85.5}Ni{sub 9.5}La{sub 5} alloy but increases the GFAs of Al{sub 87.5}Ni{sub 7.5}La{sub 5}, Al{sub 86.5}Ni{sub 8.5}La{sub 5}, Al{sub 86}Ni{sub 9}La{sub 5} and Al{sub 86}Ni{sub 9.5}La{sub 4.5} alloys. Meantime the crystallization behavior significantly changes. The optimal substitution content of La for glass formation depends on the composition of the base alloy. The lower the Ni content in the base alloy, the more the La content to be substituted. The GFA change with the substitution content is determined by the atomic packing efficiencies of the La (Ce)-centered clusters.

  8. Gold(III) complexes with 2-substituted pyridines as experimental anticancer agents: solution behavior, reactions with model proteins, antiproliferative properties.

    Science.gov (United States)

    Maiore, Laura; Cinellu, Maria Agostina; Nobili, Stefania; Landini, Ida; Mini, Enrico; Gabbiani, Chiara; Messori, Luigi

    2012-03-01

    Gold(III) compounds form a family of promising cytotoxic and potentially anticancer agents that are currently undergoing intense preclinical investigations. Four recently synthesized and characterized gold(III) derivatives of 2-substituted pyridines are evaluated here for their biological and pharmacological behavior. These include two cationic adducts with 2-pyridinyl-oxazolines, [Au(pyox(R))Cl(2)][PF(6)], [pyox(R)=(S)-4-benzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, I; (S)-4-iso-propyl-2-(pyridin-2-yl)-4,5-dihydrooxazole, II] and two neutral complexes [Au(N,N'OH)Cl(2)], III, and [Au(N,N',O)Cl], IV, containing the deprotonated ligand N-(1-hydroxy-3-iso-propyl-2-yl)pyridine-2-carboxamide, N,N'H,OH, resulting from ring opening of bound pyox(R) ligand of complex II by hydroxide ions. The solution behavior of these compounds was analyzed. These behave as classical prodrugs: activation of the metal center typically takes place through release of the labile chloride ligands while the rest of the molecule is not altered; alternatively, activation may occur through gold(III) reduction. All compounds react eagerly with the model protein cyt c leading to extensive protein metalation. ESI MS experiments revealed details of gold-cyt c interactions and allowed us to establish the nature of protein bound metal containing fragments. The different behavior displayed by I and II compared to III and IV is highlighted. Remarkable cytotoxic properties, against the reference human ovarian carcinoma cell lines A2780/S and A2780/R were disclosed for all tested compounds with IC(50) values ranging from 1.43 to 6.18 μM in the sensitive cell line and from 1.59 to 10.86 μM in the resistant one. The common ability of these compounds to overcome cisplatin resistance is highlighted. The obtained results are thoroughly discussed in the frame of current knowledge on cytotoxic gold compounds. Copyright © 2011 Elsevier Inc. All rights reserved.

  9. One-Tube-Only Standardized Site-Directed Mutagenesis: An Alternative Approach to Generate Amino Acid Substitution Collections

    NARCIS (Netherlands)

    Mingo, J.; Erramuzpe, A.; Luna, S.; Aurtenetxe, O.; Amo, L.; Diez, I.; Schepens, J.T.G.; Hendriks, W.J.A.J.; Cortes, J.M.; Pulido, R.

    2016-01-01

    Site-directed mutagenesis (SDM) is a powerful tool to create defined collections of protein variants for experimental and clinical purposes, but effectiveness is compromised when a large number of mutations is required. We present here a one-tube-only standardized SDM approach that generates

  10. Characterization of radionuclude behavior in low-level waste sites

    International Nuclear Information System (INIS)

    Toste, A.P.; Kirby, L.J.; Robertson, D.E.; Abel, K.H.; Perkins, R.W.

    1982-10-01

    Our laboratory is investigating the subsurface migration of radionuclides in groundwater at the Maxey Flats, Kentucky, shallow land-burial site and at a low-level aqueous waste disposal facility. At Maxey Flats, radionuclide and tracer data indicate groundwater communication between a waste trench and an adjacent experimental study area. Areal distributions of radionuclides in surface soil confirm that contamination at Maxey Flats has been largely contained on site. Of the radionuclides detected in the surface soil, only 3 H and 60 Co concentrations appear to be derived from waste. Plutonium exists in the anoxic subsurface waters at Maxey Flats as a reduced, anionic complex; some of the plutonium appears to be complexed with EDTA, whereas organic acids seem to be associated with 137 Cs and 90 Sr. At the aqueous waste disposal site, 3 H and mainly anionic species of certain radionuclides, including 60 Co, 106 Ru, 99 Tc, 131 I, and traces of 238 239 240 Pu, appear to migrate from a trench through soil adjacent to the trench. Radionuclides in the particulate and cationic forms appear to be efficiently retained by the soil. In general, observations indicate that the physicochemical form of the radionuclides mediates their subsurface migration in groundwater at both waste disposal sites

  11. Structural characterization of Mg substituted on A/B sites in NiFe_2O_4 nanoparticles using autocombustion method

    Science.gov (United States)

    De, Manojit; Tewari, H. S.

    2017-07-01

    In the present paper, we are reporting the synthesis of pure nickel and magnesium ferrite [NiFe_2O_4, MgFe_2O_4] and magnesium-substituted nickel ferrite (Ni_{1-x}Mg_{x/y}Fe_{2-y}O_4; x=y=0.60) on A/B sites with particles size in nanometer range using autocombustion technique. In this study, it has been observed that with increase in sintering temperature, the estimated bulk density of the materials increases. The XRD patterns of the samples show the formation of single-phase materials and the lattice parameters are estimated from XRD patterns. From Raman spectra, the Raman shift of pure NiFe_2O_4 and MgFe_2O_4 are comparable with the experimental values reported in literature. The Raman spectra give five Raman active modes (A_{{1g}} + Eg + 3F_{2g}) which are expected in the spinel structure.

  12. The role of ecotourism sites: Transforming Chinese tourists’ behavior

    OpenAIRE

    Cheng, Mingming; Wang, Liping; Xu, Xiao

    2013-01-01

    This study provides a timely update of some empirical findings of ecotourism experience in relation to Chinese tourists’ post-trip behaviors. Based on a qualitative research approach through in-depth interview with 28 Chinese domestic tourists, the authors show that Chinese tourists explicitly or implicitly have adapted environmentally friendly lifestyles after their ecotourism travel, although the level of their improvement is equivocal. The study further reveals the factors in contributing ...

  13. Substitution of Tyr254 with Phe at the active site of flavocytochrome b2: consequences on catalysis of lactate dehydrogenation

    International Nuclear Information System (INIS)

    Dubois, J.; Chapman, S.K.; Mathews, F.S.; Reid, G.A.; Lederer, F.

    1990-01-01

    A role for Tyr254 in L-lactate dehydrogenation catalyzed by flavocytochrome b2 has recently been proposed on the basis of the known active-site structure and of studies that had suggested a mechanism involving the initial formation of a lactate carbanion. This role is now examined after replacement of Tyr254 with phenylalanine. The kcat is decreased about 40-fold, Km for lactate appears unchanged, and the mainly rate-limiting step is still alpha-hydrogen abstraction, as judged from the steady-state deuterium isotope effect. Modeling studies with lactate introduced into the active site indicate two possible substrate conformations with different hydrogen-bonding partners for the substrate hydroxyl. If the hydrogen bond is formed with Tyr254, as was initially postulated, the mechanism must involve removal by His373 of the C2 hydrogen, with carbanion formation. If, in the absence of the Tyr254 phenol group, the hydrogen bond is formed with His373 N3, the substrate is positioned in such a way that the reaction must proceed by hydride transfer. Therefore the mechanism of the Y254F enzyme was investigated so as to distinguish between the two mechanistic possibilities. 2-Hydroxy-3-butynoate behaves with the mutant as a suicide reagent, as with the wild-type enzyme. Similarly, the mutant protein also catalyzes the reduction and the dehydrohalogenation of bromopyruvate under transhydrogenation conditions

  14. Woodlouse locomotor behavior in the assessment of clean and contaminated field sites

    Energy Technology Data Exchange (ETDEWEB)

    Bayley, M.; Baatrup, E. [Aarhus Univ. (Denmark). Inst. of Biological Sciences; Bjerregaard, P. [Odense Univ. (Denmark). Inst. of Biology

    1997-11-01

    Specimens of the woodlouse Oniscus asellus were collected at four clean field sites and from a recently closed iron foundry heavily contaminated with zinc, lead, chromium, and nickel. Each of the 30 woodlice per group was housed individually and acclimatized to laboratory conditions for 2 d on a humid plaster of paris substrate. Thereafter, the locomotor behavior of each animal was measured for 4 h employing automated computer-aided video tracking. Linear discriminant analysis of five locomotor parameters revealed average velocity and path length as the principle components separating the polluted site and control animals. Post hoc analysis of the discriminant variable for animals from all five sites showed that the animals from the polluted site where significantly hyperactive when compared to all controls. Further, control animals collected from sites separated by several hundred kilometers were remarkably similar in their locomotor behavior. This preliminary study highlights the potential utility of quantitative analysis of animal locomotor behavior in environmental monitoring.

  15. Substitution of Active Site Tyrosines with Tryptophan Alters the Free Energy for Nucleotide Flipping by Human Alkyladenine DNA Glycosylase†

    Science.gov (United States)

    Hendershot, Jenna M.; Wolfe, Abigail E.; O'Brien, Patrick J.

    2011-01-01

    Human alkyladenine DNA glycosylase (AAG) locates and excises a wide variety of structurally diverse alkylated and oxidized purine lesions from DNA to initiate the base excision repair pathway. Recognition of a base lesion requires flipping of the damaged nucleotide into a relatively open active site pocket between two conserved tyrosine residues, Y127 and Y159. We have mutated each of these amino acids to tryptophan and measured the kinetic effects on the nucleotide flipping and base excision steps. The Y127W and Y159W mutant proteins have robust glycosylase activity toward DNA containing 1,N6-ethenoadenine (εA), within 4-fold of that of the wildtype enzyme, raising the possibility that tryptophan fluorescence could be used to probe the DNA binding and nucleotide flipping steps. Stopped-flow fluorescence was used to compare the time-dependent changes in tryptophan fluorescence and εA fluorescence. For both mutants, the tryptophan fluorescence exhibited two-step binding with essentially identical rate constants as were observed for the εA fluorescence changes. These results provide evidence that AAG forms an initial recognition complex in which the active site pocket is perturbed and the stacking of the damaged base is disrupted. Upon complete nucleotide flipping, there is further quenching of the tryptophan fluorescence with coincident quenching of the εA fluorescence. Although these mutations do not have large effects on the rate constant for excision of εA, there are dramatic effects on the rate constants for nucleotide flipping that result in 40 to 100-fold decreases in the flipping equilibrium relative to wildtype. Most of this effect is due to an increased rate of unflipping, but surprisingly the Y159W mutation causes a 5-fold increase in the rate constant for flipping. The large effect on the equilibrium for nucleotide flipping explains the greater deleterious effects that these mutations have on the glycosylase activity toward base lesions that are in

  16. Boron-substitution and defects in B2-type AlNi compound: Site-preference and influence on structural, thermodynamic and electronic properties

    Energy Technology Data Exchange (ETDEWEB)

    Capaz, Rodrigo B. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); ElMassalami, M., E-mail: massalam@if.ufrj.br [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); Terrazos, L.A. [Centro de Educação e Saúde, Universidade Federal de Campina Grande, Cuité, PB 58175-000 (Brazil); Elhadi, M. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil); Takeya, H. [National Institute for Materials Science, 1-2-1, Sengen, Tsukuba, 305-0047 (Japan); Ghivelder, L. [Instituto de Física, Universidade Federal do Rio de Janeiro, Caixa Postal 68528, Rio de Janeiro, RJ 21941-972 (Brazil)

    2016-06-05

    Using a combination of theoretical (first-principles total-energy and electronic structure calculations) as well as experimental (structural, thermodynamics) techniques, we systematically investigated the influence of B incorporation on the structural, electronic and thermodynamic properties of a series of technologically-important B-containing AlNi matrix. Special attention was paid to calculating the energy cost of placing B at various sites within the cubic unit cell. The most energetically favorable defects were identified to be, depending on initial stoichiometry, substitutional B at Al site (B{sub Al}), Ni vacancy (V{sub Ni}), or Ni antisite (Ni{sub Al}). We show that the induced variation in the lattice parameters can be correlated with the type and concentration of the involved defects: e.g. the surge of V{sub Ni} defects leads to a stronger lattice-parameter reduction, that of Ni{sub Al} ones to a relatively weaker reduction while that of B{sub Al} defects to a much weaker influence. Both electronic band structure calculations as well as thermodynamics measurements indicate that the 3d bands of Ni are fully occupied and magnetically unpolarized and that the resulting N(E{sub F}) is very small: all studied compounds are normal conductors with no trace of superconductivity or magnetic polarization.

  17. Health behaviors of victims and related factors in Wenchuan earthquake resettlement sites.

    Science.gov (United States)

    Liu, Qiaolan; Zhou, Hongyu; Zhou, Huan; Yang, Yang; Yang, Xiaoyan; Yu, Lingyun; Qiu, Peiyuan; Ma, Xiao

    2011-03-01

    The purpose of this study was to describe the health behaviors of earthquake victims related to gastrointestinal and respiratory infectious diseases in the centralized transitional earthquake resettlement sites in Wenchuan, China; and to identify key factors related to health behaviors that may inform local infectious diseases prevention and control strategies. Data were collected using a questionnaire that included questions about socio-demographic characteristics and health beliefs and behaviors. In total, 1411 participants were included through a two-stage random sampling strategy. A bivariate multilevel model was used to explore the related factors. Approximately 67% of the participants wash their hands after going to lavatories every time, and 87% felt uncomfortable spitting on the ground. The more the participants perceived their susceptibility to and the severity of infectious diseases, the better their health-related behaviors (P resettlement sites (P resettlement sites. Copyright © 2011 Elsevier Inc. All rights reserved.

  18. Role of A-site Ca and B-site Zr substitution in BaTiO3 lead-free compounds: Combined experimental and first principles density functional theoretical studies

    Science.gov (United States)

    Keswani, Bhavna C.; Saraf, Deepashri; Patil, S. I.; Kshirsagar, Anjali; James, A. R.; Kolekar, Y. D.; Ramana, C. V.

    2018-05-01

    We report on the combined experimental and theoretical simulation results of lead-free ferroelectrics, Ba(1-x)CaxTiO3 (x = 0.0-0.3) and BaTi(1-y)ZryO3 (y = 0.0-0.2), synthesized by standard solid state reaction method. First principles density functional calculations are used to investigate the electronic structure, dynamical charges, and spontaneous polarization of these compounds. In addition, the structural, ferroelectric, piezoelectric, and dielectric properties are studied using extensive experiments. The X-ray diffraction and temperature dependent Raman spectroscopy studies indicate that the calcium (Ca) substituted compositions exhibit a single phase crystal structure, while zirconium (Zr) substituted compositions are biphasic. The scanning electron micrographs reveal the uniform and highly dense microstructure. The presence of polarization-electric field and strain-electric field hysteresis loops confirms the ferroelectric and piezoelectric nature of all the compositions. Our results demonstrate higher values for polarization, percentage strain, piezoelectric coefficients, and electrostrictive coefficient compared to those existing in the literature. For smaller substitutions of Ca and Zr in BaTiO3, a direct piezoelectric coefficient (d33) is enhanced, while the highest d33 value (˜300 pC/N) is observed for BaTi0.96Zr0.04O3 due to the biphasic ferroelectric behavior. Calculation of Born effective charges indicates that doping with Ca or Zr increases the dynamical charges on Ti as well as on O and decreases the dynamical charge on Ba. An increase in the dynamical charges on Ti and O is ascribed to the increase in covalency of Ti-O bond that reduces the polarizability of the crystal. A broader range of temperatures is demonstrated to realize the stable phase in the Ca substituted compounds. The results indicate enhancement in the temperature range of applicability of these compounds for device applications. The combined theoretical and experimental study is

  19. The site of action of intrahypothalamic estrogen implants in feminine sexual behavior: an autoradiographic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Davis, P.G.; Krieger, M.S.; Barfield, R.J.; McEwen, B.S.; Pfaff, D.W.

    1982-11-01

    Estrogenic stimulation of the ventromedial hypothalamus is sufficient to prime progesterone-facilitated estrous behavior in ovariectomized rats. To determine precisely the site(s) of estrogenic stimulation and the locus of its priming action on estrous behavior, we used steroid autoradiographic methods to assess the diffusion of (/sup 3/H)estradiol ((/sup 3/H)E/sub 2/) from behaviorally effective implants diluted 1:300 with cholesterol. Ovariectomized rats received (/sup 3/H)E/sub 2/-cholesterol implants aimed at the ventromedial hypothalamic nucleus (VMN). Females were tested twice for feminine sexual behavior after stereotaxic surgery. They received progesterone on the day of behavioral testing. Animals were killed on the day after the second behavior test, cannulae were removed, and the brains were frozen rapidly and processed for autoradiography. Five of eight females with bilateral implants aimed at the VMN exhibited female sexual behavior in at least one of the two tests. Of these, four also showed proceptive behavior. Histological examination of brain sections indicated that behaviorally effective implants were located in, or adjacent to, the central portions of VMN. Implants from nonreceptive animals were located at the extreme anterior or posterior aspects of the VMN. The data collected are consistent with the view that estrogen acts within a sharply defined region of the VMN to prime estrons behavior.

  20. The site of action of intrahypothalamic estrogen implants in feminine sexual behavior: an autoradiographic analysis

    International Nuclear Information System (INIS)

    Davis, P.G.; Krieger, M.S.; Barfield, R.J.; McEwen, B.S.; Pfaff, D.W.

    1982-01-01

    Estrogenic stimulation of the ventromedial hypothalamus is sufficient to prime progesterone-facilitated estrous behavior in ovariectomized rats. To determine precisely the site(s) of estrogenic stimulation and the locus of its priming action on estrous behavior, we used steroid autoradiographic methods to assess the diffusion of [ 3 H]estradiol ([ 3 H]E 2 ) from behaviorally effective implants diluted 1:300 with cholesterol. Ovariectomized rats received [ 3 H]E 2 -cholesterol implants aimed at the ventromedial hypothalamic nucleus (VMN). Females were tested twice for feminine sexual behavior after stereotaxic surgery. They received progesterone on the day of behavioral testing. Animals were killed on the day after the second behavior test, cannulae were removed, and the brains were frozen rapidly and processed for autoradiography. Five of eight females with bilateral implants aimed at the VMN exhibited female sexual behavior in at least one of the two tests. Of these, four also showed proceptive behavior. Histological examination of brain sections indicated that behaviorally effective implants were located in, or adjacent to, the central portions of VMN. Implants from nonreceptive animals were located at the extreme anterior or posterior aspects of the VMN. The data collected are consistent with the view that estrogen acts within a sharply defined region of the VMN to prime estrons behavior

  1. Evaluation of physical activity web sites for use of behavior change theories.

    Science.gov (United States)

    Doshi, Amol; Patrick, Kevin; Sallis, James F; Calfas, Karen

    2003-01-01

    Physical activity (PA) Web sites were assessed for their use of behavior change theories, including constructs of the health belief model, Transtheoretical Model, social cognitive theory, and the theory of reasoned action and planned behavior. An evaluation template for assessing PA Web sites was developed, and content validity and interrater reliability were demonstrated. Two independent raters evaluated 24 PA Web sites. Web sites varied widely in application of theory-based constructs, ranging from 5 to 48 on a 100-point scale. The most common intervention strategies were general information, social support, and realistic goal areas. Coverage of theory-based strategies was low, varying from 26% for social cognitive theory to 39% for health belief model. Overall, PA Web sites provided little assessment, feedback, or individually tailored assistance for users. They were unable to substantially tailor the on-line experience for users at different stages of change or different demographic characteristics.

  2. Substitutional analysis

    CERN Document Server

    Rutherford, Daniel Edwin

    2013-01-01

    Classic monograph, suitable for advanced undergraduates and graduate students. Topics include calculus of permutations and tableaux, semi-normal representation, orthogonal and natural representations, group characters, and substitutional equations. 1968 edition.

  3. Attitudes toward opioid substitution therapy and pre-incarceration HIV transmission behaviors among HIV-infected prisoners in Malaysia: implications for secondary prevention.

    Science.gov (United States)

    Bachireddy, Chethan; Bazazi, Alexander R; Kavasery, Ravi; Govindasamy, Sumathi; Kamarulzaman, Adeeba; Altice, Frederick L

    2011-07-01

    Pre-incarceration HIV transmission behaviors and current attitudes toward opioid substitution therapy (OST) among HIV-infected male prisoners in Malaysia have important implications for secondary HIV prevention efforts. In June 2007, 102 HIV-infected male prisoners within 6 months of community-release were anonymously surveyed in Kota Bharu, Malaysia. Nearly all subjects (95%) met criteria for opioid dependence. Overall, 66% of participants reported sharing needles, and 37% reported unprotected sex in the 30 days prior to incarceration. During this period, 77% reported injection drug use, with 71% injecting daily and 65% injecting more than one substance. Injection of buprenorphine (28%), benzodiazepines (28%) and methamphetamines (49%) was reported. Nearly all (97%) of those reporting unprotected sex did so with someone not known to be HIV-infected. While 51% believed that opioid substitution therapy (OST) would be helpful, only 33% believed they needed it to prevent relapse after prison release. Most participants (70%) expressed interest in learning more about OST. Those reporting the highest injection risks were more likely to believe OST would be helpful (pMalaysia is crucial to reduce community HIV transmission after release. Effectively reducing HIV risk associated with opioid injection will require OST expansion, including social marketing to improve its acceptability and careful monitoring. Access to sterile injection equipment, particularly for non-opioid injectors, and behavioral interventions that reduce sexual risk will also be required. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

  4. Substitution behavior of x(Na0.5K0.5)NbO3-(1 - x)BaTiO3 ceramics for multilayer ceramic capacitors by a near edge x-ray absorption fine structure analysis

    Science.gov (United States)

    Ha, Jooyeon; Ryu, Jiseung; Lee, Heesoo

    2014-06-01

    The doping effect of (Na0.5K0.5)NbO3 (NKN) as alternatives for rare-earth elements on the electrical properties of BaTiO3 has been investigated, in terms of their substitution behavior. The dielectric constant of a specimen with x = 0.05 was about 79% higher than that of pure BaTiO3, and the temperature coefficient of capacitance was satisfied by the X7R specification. The specimen with x = 0.05 showed the lowest tetragonality among the four compositions and had a fine grain size of x-ray absorption fine structure spectroscopy, the practical substitution behavior was defined by the change in Ti 3d orbital states. The energy separation of the Ti 3d orbitals was more apparent with the specimen of x = 0.05, which is related to the donor level from the donor substitution of Nb5+ ion for Ti-sites. Therefore, the simultaneous substitution of Na+/K+ and Nb5+ ions into BaTiO3 can improve dielectric properties, based on the charge-transfer process.

  5. Tuning glass formation and brittle behaviors by similar solvent element substitution in (Mn,Fe)-based bulk metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Tao [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Li, Ran, E-mail: liran@buaa.edu.cn [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China); Xiao, Ruijuan [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Liu, Gang [State Key Laboratory for Mechanical Behavior of Materials, School of Materials Science and Engineering, Xi' an Jiaotong University, Xi' an 710049 (China); Wang, Jianfeng [School of Materials Science and Engineering, Zhengzhou University, Zhengzhou 450001 (China); Zhang, Tao, E-mail: zhangtao@buaa.edu.cn [Key Laboratory of Aerospace Materials and Performance (Ministry of Education), School of Materials Science and Engineering, Beihang University, Beijing 100191 (China)

    2015-02-25

    A family of Mn-rich bulk metallic glasses (BMGs) was developed through the similar solvent elements (SSE) substitution of Mn for Fe in (Mn{sub x}Fe{sub 80−x})P{sub 10}B{sub 7}C{sub 3} alloys. The effect of the SSE substitution on glass formation, thermal stability, elastic constants, mechanical properties, fracture morphologies, Weibull modulus and indentation fracture toughness was discussed. A thermodynamics analysis provided by Battezzati et al. (L. Battezzati, E. Garrone, Z. Metallkd. 75 (1984) 305–310) was adopted to explain the compositional dependence of the glass-forming ability (GFA). The elastic moduli follow roughly linear correlations with the substitution concentration of Mn in (Mn{sub x}Fe{sub 80−x})P{sub 10}B{sub 7}C{sub 3} BMGs. The introduction of Mn to replace Fe significantly decreases the plasticity of the resulting BMGs and the Weibull modulus of the fracture strength. A super-brittle Mn-based BMGs of (Mn{sub 55}Fe{sub 25})P{sub 10}B{sub 7}C{sub 3} BMGs were found with the indentation fracture toughness (K{sub c}) of 1.91±0.04 MPa m{sup 1/2}, the lowest value among all kinds of BMGs so far. The atomic and electronic structure of the selected BMGs were simulated by the first principles molecular dynamics calculations based on density functional theory, which provided a possible understanding of the brittleness caused by the similar chemical element replacement of Mn for Fe.

  6. Identification of a cys-ser substitution in the 5-HT{sub 2C} (HTR2C) receptor gene and allelic association to violent behavior and alcoholism

    Energy Technology Data Exchange (ETDEWEB)

    Lappalainen, J.; Ozaki, N.; Goldman, D. [National Institute on Alcohol Abuse and Alcoholism, Rockville, MD (United States)] [and others

    1994-09-01

    Several lines of evidence suggest that brain serotonergic functions, including behavioral and neurochemical responses to 5-HT{sub 2C} agonist, are abnormal in some individuals with alcoholism and aggressive behaviors. The aim of the present study was to identify coding sequence variants in the human 5-HT{sub 2C} receptor gene which may cause abnormal or variant function of this receptor. Using SSCP analysis, a non-conservative cys-ser substitution was found in the 5-HT{sub 2C} receptor (designated 5-HT{sub 2Ccys} and 5-HT{sub 2Cser}). The polymorphism was typed in CEPH families to genetically map the gene. To test for association of the variant to alcoholism, violent behavior and serotonin function, the 5-HT{sub 2C} genotypes of 151 non-related Finnish male alcoholic violent offenders and impulsive fire setters and 127 Finnish psychiatrically interviewed healthy male volunteers were determined. CSF 5-HIAA concentrations were available for 74 alcoholic violent offenders and 25 healthy volunteers. Linkage analysis placed the 5-HT{sub 2C} gene on Xq21, a region that has been previously shown to contain genes for several mental retardation syndromes. The 5-HT{sub 2Ccys}/5-HT{sub 2Cser} genotype frequencies in alcoholic violent offenders and controls differed significantly (0.90/0.10 and 0.82/0.18, respectively, P=0.048). The association was found to be strongest in the violent offenders who did not fulfill the criteria for antisocial personality disorder (5-HT{sub 2Ccys}/5-HT{sub 2Cser} 0.93/0.07, p=0.021). No association was found between CSF 5-HIAA concentrations and 5-HT{sub 2C} genotype. These results implicate a 5-HT{sub 2C} receptor amino acid substitution in predisposition to alcohol abuse and violent behavior in a subgroup of alcoholics.

  7. Influence of Alkali Metal Substitution on the Phase Transition Behavior of CsGaQ2 (Q = S, Se

    Directory of Open Access Journals (Sweden)

    Daniel Friedrich

    2017-12-01

    Full Text Available The formation of solid solution series Cs1−xMxGaQ2-mC64 (M = K, Rb; Q = S, Se; x = 0–1 was studied by X-ray diffraction and spectroscopic methods, revealing a complete miscibility of CsGaQ2-mC64 with RbGaQ2 and KGaSe2, and a large miscibility gap with KGaS2. All solid solution members exhibit similar Raman spectra, indicating the covalent Ga-Q bonding character. The similar optical band gaps likewise further contribute to this conclusion. Up to a certain degree of substitution, these solid solutions undergo a phase transition similar to CsGaQ2-mC64. The influence of the substitution parameter x on phase transition process was investigated in situ using high-temperature X-ray powder diffraction experiments. Phase-pure solid solutions of the high-temperature polymorphs Cs1−xMxGaQ2-mC16 were obtained up to xmax(K = 0.1 and xmax(Rb = 0.3. The crystal structures of these new CsGaQ2-mC16 analogous high-temperature phases were refined from synchrotron diffraction data by Rietveld-refinement.

  8. Magnetically induced electrical transport and dielectric properties of 3d transition elemental substitution at the Mn-site in Nd0.67Ba0.33MnO3 manganites

    Science.gov (United States)

    Sudakshina, B.; Arun, B.; Chandrasekhar, K. Devi; Yang, H. D.; Vasundhara, M.

    2018-05-01

    We have investigated the temperature dependence of electrical transport and dielectric properties along with magnetoresistance and magneto dielectric behavior in Nd0.67Ba0.33Mn0.9TR0.1O3 (TR= Cr, Fe, Co, Ni, Cu) manganites. All the compounds crystallized into an orthorhombic structure with Imma space group. Nd0.67Ba0.33MnO3 shows insulating to metallic behavior at intermediate temperatures, but, with the substitution of transitional elements it shows insulating in nature, down to lowest temperature measured for all the compounds. Dielectric measurement shows the intrinsic behavior of these lossy materials. A large value of magneto resistance is obtained for all the compounds and considerable amount of magneto-dielectric effect is shown for all the substituted compounds at lower temperatures.

  9. Effects of surgical side and site on mood and behavior outcome in children with pharmacoresistant epilepsy

    Directory of Open Access Journals (Sweden)

    Elizabeth N Andresen

    2014-02-01

    Full Text Available Children with epilepsy have a high rate of mood and behavior problems yet few studies consider the emotional and behavioral impact of surgery. No study to date has been sufficiently powered to investigate effects of both side (left/right and site (temporal/frontal of surgery. One hundred patients (aged 6-16 and their families completed measures of depression, anxiety and behavioral function as part of neuropsychological evaluations before and after surgery for pharmacoresistant epilepsy. Among children who had left-sided surgeries (frontal=16; temporal=38, there were significant interactions between time (pre to postoperative neuropsychological assessment and resection site (frontal/temporal on Anhedonia, Social Anxiety, and Withdrawn/Depressed scales. Patients with frontal lobe epilepsy (FLE endorsed greater presurgical anhedonia and social anxiety than patients with temporal lobe epilepsy (TLE, with scores normalizing following surgery. While scores on the Withdrawn/Depressed scale were similar between groups before surgery, the FLE group showed greater symptom improvement after surgery. In children who underwent right-sided surgeries (FLE=20; TLE=26 main effects of time (patients in both groups improved and resection site (caregivers of FLE patients endorsed greater symptoms than those with TLE were observed primarily on behavior scales. Individual data revealed that a greater proportion of children with left FLE demonstrated clinically significant improvements in Anhedonia, Social Anxiety, and Aggressive Behavior than children with TLE. This is the first study to demonstrate differential effects of both side and site of surgery in children with epilepsy at group and individual levels. Results suggest that children with FLE have greater emotional and behavioral dysfunction before surgery, but show marked improvement after surgery. Overall, most children had good emotional and behavioral outcomes, with most scores remaining stable or improving.

  10. Enhanced osteoconductivity of sodium-substituted hydroxyapatite by system instability.

    Science.gov (United States)

    Sang Cho, Jung; Um, Seung-Hoon; Su Yoo, Dong; Chung, Yong-Chae; Hye Chung, Shin; Lee, Jeong-Cheol; Rhee, Sang-Hoon

    2014-07-01

    The effect of substituting sodium for calcium on enhanced osteoconductivity of hydroxyapatite was newly investigated. Sodium-substituted hydroxyapatite was synthesized by reacting calcium hydroxide and phosphoric acid with sodium nitrate followed by sintering. As a control, pure hydroxyapatite was prepared under identical conditions, but without the addition of sodium nitrate. Substitution of calcium with sodium in hydroxyapatite produced the structural vacancies for carbonate ion from phosphate site and hydrogen ion from hydroxide site of hydroxyapatite after sintering. The total system energy of sodium-substituted hydroxyapatite with structural defects calculated by ab initio methods based on quantum mechanics was much higher than that of hydroxyapatite, suggesting that the sodium-substituted hydroxyapatite was energetically less stable compared with hydroxyapatite. Indeed, sodium-substituted hydroxyapatite exhibited higher dissolution behavior of constituent elements of hydroxyapatite in simulated body fluid (SBF) and Tris-buffered deionized water compared with hydroxyapatite, which directly affected low-crystalline hydroxyl-carbonate apatite forming capacity by increasing the degree of apatite supersaturation in SBF. Actually, sodium-substituted hydroxyapatite exhibited markedly improved low-crystalline hydroxyl-carbonate apatite forming capacity in SBF and noticeably higher osteoconductivity 4 weeks after implantation in calvarial defects of New Zealand white rabbits compared with hydroxyapatite. In addition, there were no statistically significant differences between hydroxyapatite and sodium-substituted hydroxyapatite on cytotoxicity as determined by BCA assay. Taken together, these results indicate that sodium-substituted hydroxyapatite with structural defects has promising potential for use as a bone grafting material due to its enhanced osteoconductivity compared with hydroxyapatite. © 2013 Wiley Periodicals, Inc.

  11. Perceptions of Supportive Leadership Behaviors of School Site Administrators for Secondary Special Education Teachers

    Science.gov (United States)

    Roderick, Erin; Jung, Adrian Woo

    2012-01-01

    School administrators fall short of supporting special education teachers due to a lack of knowledge of and experience in special education. The purpose of this study was to identify and compare leadership behaviors perceived as supportive by special education teachers and school site administrators. Data collection involved a survey instrument…

  12. Zn2+ in-situ substitution behavior during the formation of BaTiO3 coatings from plasma-sprayed powders collected in liquid nitrogen

    Science.gov (United States)

    Liu, Zhe; Xing, Zhiguo; Wang, Haidou; Xue, Zifan; Chen, Shuying; Cui, Xiufang; Jin, Guo

    2018-04-01

    The dielectric performance of BaTiO3 ceramic coatings is enhanced significantly by the addition of ZnO. In this study, the maximum relative permittivity value (εr ≈ 923) was measured in BaTiO3 coatings with ZnO added at 6 wt%. The Curie temperature (Tc) was in the range of 111 °C-121 °C for all of the ZnO-modified BaTiO3 coatings. Tc shifted to low temperatures as the ZnO content increased. Detailed analyses were performed to determine the phase composition and optical band gaps of powders collected in liquid nitrogen, which showed that the Zn2+ ions were incorporated into the BaTiO3 lattice where they substituted into the Ti4+ sites, and the composite powders (BaTiO3 + 6 wt% ZnO) tolerated high temperatures in the plasma beam. In addition, some residual Zn accumulated in the grain boundary in the form of ZnO. X-ray diffraction and Raman spectroscopy showed that the substitution led to changes in the compositional and structural properties. The red shift in the optical band gap of BaTiO3 indicated that the ZnTi'' defects caused by the dopants acted as carriers in the doped BaTiO3 coatings.

  13. Operator substitution

    NARCIS (Netherlands)

    Hautus, M.L.J.

    1994-01-01

    Substitution of an operator into an operator-valued map is defined and studied. A Bezout-type remainder theorem is used to derive a number of results. The tensor map is used to formulate solvability conditions for linear matrix equations. Some applications to system theory are given, in particular

  14. Solvent substitution

    International Nuclear Information System (INIS)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general ''Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated

  15. Tonemic Substitution

    African Journals Online (AJOL)

    Ezenwafor

    grammatical constructions. The choice of substitutable tonemes as observed from the analyzed data is highly. Ezenwafordependent on the intuitive judgement of the native speaker. This work shows with adequate data, that regular tonemic changes are not always meaningful in Ekwulobia lect. Such tonemic alternations are ...

  16. Solvent substitution

    Energy Technology Data Exchange (ETDEWEB)

    1990-01-01

    The DOE Environmental Restoration and Waste Management Office of Technology Development and the Air Force Engineering and Services Center convened the First Annual International Workshop on Solvent Substitution on December 4--7, 1990. The primary objectives of this joint effort were to share information and ideas among attendees in order to enhance the development and implementation of required new technologies for the elimination of pollutants associated with industrial use of hazardous and toxic solvents; and to aid in accelerating collaborative efforts and technology transfer between government and industry for solvent substitution. There were workshop sessions focusing on Alternative Technologies, Alternative Solvents, Recovery/Recycling, Low VOC Materials and Treatment for Environmentally Safe Disposal. The 35 invited papers presented covered a wide range of solvent substitution activities including: hardware and weapons production and maintenance, paint stripping, coating applications, printed circuit boards, metal cleaning, metal finishing, manufacturing, compliance monitoring and process control monitoring. This publication includes the majority of these presentations. In addition, in order to further facilitate information exchange and technology transfer, the US Air Force and DOE solicited additional papers under a general Call for Papers.'' These papers, which underwent review and final selection by a peer review committee, are also included in this combined Proceedings/Compendium. For those involved in handling, using or managing hazardous and toxic solvents, this document should prove to be a valuable resource, providing the most up-to-date information on current technologies and practices in solvent substitution. Individual papers are abstracted separated.

  17. Decreasing Risky Behavior on Social Network Sites: The Impact of Parental Involvement in Secondary Education Interventions.

    Science.gov (United States)

    Vanderhoven, Ellen; Schellens, Tammy; Valcke, Martin

    2016-06-01

    Teenagers face significant risks when using increasingly popular social network sites. Prevention and intervention efforts to raise awareness about these risks and to change risky behavior (so-called "e-safety" interventions) are essential for the wellbeing of these minors. However, several studies have revealed that while school interventions often affect awareness, they have only a limited impact on pupils' unsafe behavior. Utilizing the Theory of Planned Behavior and theories about parental involvement, we hypothesized that involving parents in an e-safety intervention would positively influence pupils' intentions and behavior. In a quasi-experimental study with pre- and post-test measures involving 207 pupils in secondary education, we compared the impact of an intervention without parental involvement with one that included active parental involvement by means of a homework task. We found that whereas parental involvement was not necessary to improve the intervention's impact on risk awareness, it did change intentions to engage in certain unsafe behavior, such as posting personal and sexual information on the profile page of a social network site, and in reducing existing problematic behavior. This beneficial impact was particularly evident for boys. These findings suggest that developing prevention campaigns with active parental involvement is well worth the effort. Researchers and developers should therefore focus on other efficient strategies to involve parents.

  18. Effects of Gd-Substitutions on the Microstructure, Electrical and Electromagnetic Behavior of M-Type Hexagonal Ferrites

    Science.gov (United States)

    Ahmad, Ishtiaq; Ahmad, Mahmood; Ali, Ihsan; Kanwal, M.; Awan, M. S.; Mustafa, Ghulam; Ahmad, Mukhtar

    2015-07-01

    A series of Gd-substituted Ba-Co-based (M-type) hexaferrites having the chemical compositions of Ba0.5Co0.5Gd x Fe12- x O19 ( x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were prepared by co-precipitation method. The pellets formed by co-precipitated powder were calcined at a temperature of 1200°C for 20 h. Final sintering was done at 1320°C for 4 h. From the x-ray diffraction analysis, it was revealed that all the samples showed M-type hexagonal structure as a major phase. The scanning electron microscope was used to examine the morphology of the sintered ferrites. The average grain size estimated by the line intercept method was found to be in the range of 2.8-1.0 μm. The room temperature DC resistivity increases with increasing Gd-contents to make these ferrites useful for high frequency applications and microwave devices. Lower values of coercivity ( H c) and higher saturation magnetization ( M s) may be suitable to enhance the permeability of these ferrites, which is favorable for impedance matching in microwave absorption. In addition, reflection coefficients for a sample was also measured from a frequency of 1 MHz to 3 GHz and a reflection peak was observed at about 2.2 GHz.

  19. Synthesis and electrical behavior of Ni-Ti substituted Y-type hexaferrites for high frequency application

    Science.gov (United States)

    Ahmad, Bashir; Ashiq, Muhammad Naeem; Mumtaz, Saleem; Ali, Irshad; Najam-Ul-Haq, Muhmmad; Sadiq, Imran

    2018-04-01

    This article reports the fabrication of Ni-Ti doped derivatives of Sr2Co2Fe12-2xO22 by economical Sol-gel method. At room temperature X-ray diffraction (XRD) pattern of powder was obtained after sintering at 1050 °C. The XRD analysis revealed the formation of pure Sr-Y hexaferrite phase. It was found that the observed values of dielectric parameters decreased with increasing Ni-Ti substitution. The higher values of dielectric constants and dielectric loss factor at lower frequency were owing to surface charge polarization. In all the samples the resonance peaks were also observed. The observed room temperature DC electrical resistivity found to increase from 1.8x106 to 4.9x109 ohm cm. The observed activation energies values of the fabricated materials are found in 0.52-0.82 eV range. The decrease in dielectric parameters and increase in resistivity of the fabricated samples with substituents suggest these materials have worth application in micro-wave devices as such devices required highly resistive materials.

  20. Substitution behavior of x(Na0.5K0.5)NbO3-(1 − x)BaTiO3 ceramics for multilayer ceramic capacitors by a near edge x-ray absorption fine structure analysis

    International Nuclear Information System (INIS)

    Ha, Jooyeon; Ryu, Jiseung; Lee, Heesoo

    2014-01-01

    The doping effect of (Na 0.5 K 0.5 )NbO 3 (NKN) as alternatives for rare-earth elements on the electrical properties of BaTiO 3 has been investigated, in terms of their substitution behavior. The dielectric constant of a specimen with x = 0.05 was about 79% higher than that of pure BaTiO 3 , and the temperature coefficient of capacitance was satisfied by the X7R specification. The specimen with x = 0.05 showed the lowest tetragonality among the four compositions and had a fine grain size of 5+ ion for Ti-sites. Therefore, the simultaneous substitution of Na + /K + and Nb 5+ ions into BaTiO 3 can improve dielectric properties, based on the charge-transfer process.

  1. Minority anion substitution by Ni in ZnO

    CERN Document Server

    Pereira, Lino Miguel da Costa; Correia, João Guilherme; Amorim, Lígia Marina; Silva, Daniel José; David-Bosne, Eric; Decoster, Stefan; da Silva, Manuel Ribeiro; Temst, Kristiaan; Vantomme, André

    2013-01-01

    We report on the lattice location of implanted Ni in ZnO using the $\\beta$− emission channeling technique. In addition to the majority substituting for the cation (Zn), a significant fraction of the Ni atoms occupy anion (O) sites. Since Ni is chemically more similar to Zn than it is to O, the observed O substitution is rather puzzling. We discuss these findings with respect to the general understanding of lattice location of dopants in compound semiconductors. In particular, we discuss potential implications on the magnetic behavior of transition metal doped dilute magnetic semiconductors.

  2. Lane Changing and Lane Utilization Behavior for Three Lane Normal Section in Iraq Traffic Sites

    Directory of Open Access Journals (Sweden)

    Hamid Athab Eedan Al-Jameel

    2017-05-01

    Full Text Available Recently, different programs or methods have been produced to solve the traffic problem everywhere in the world. Iraq is one of the countries which suffer from high problems in traffic operation, design and planning. Therefore, to use the sophisticated traffic programs or models such as simulation models there is an urgent need to investigate specified field parameters which correspond to calibrated parameters used in the model under study. This study has focused on studying driver behavior which represents the core stone in a traffic simulation. This behavior represents lane changing (LC and lane utilization (LU in normal sections. Three normal sections with three lanes have been selected in different sites in Iraq: two sites in Al-Najaf city and one site in Al-Muthna city. The results of data analysis show that the driver behavior in both LC and LU is similar to the behavior in the UK. The current observed data could be used for the calibration process for any traffic simulation model in order to mimic the reality of Iraqi drivers.

  3. Factors influencing unsafe behaviors and accidents on construction sites: a review.

    Science.gov (United States)

    Khosravi, Yahya; Asilian-Mahabadi, Hassan; Hajizadeh, Ebrahim; Hassanzadeh-Rangi, Narmin; Bastani, Hamid; Behzadan, Amir H

    2014-01-01

    Construction is a hazardous occupation due to the unique nature of activities involved and the repetitiveness of several field behaviors. The aim of this methodological and theoretical review is to explore the empirical factors influencing unsafe behaviors and accidents on construction sites. In this work, results and findings from 56 related previous studies were investigated. These studies were categorized based on their design, type, methods of data collection, analytical methods, variables, and key findings. A qualitative content analysis procedure was used to extract variables, themes, and factors. In addition, all studies were reviewed to determine the quality rating and to evaluate the strength of provided evidence. The content analysis identified 8 main categories: (a) society, (b) organization, (c) project management, (d) supervision, (e) contractor, (f) site condition, (g) work group, and (h) individual characteristics. The review highlighted the importance of more distal factors, e.g., society and organization, and project management, that may contribute to reducing the likelihood of unsafe behaviors and accidents through the promotion of site condition and individual features (as proximal factors). Further research is necessary to provide a better understanding of the links between unsafe behavior theories and empirical findings, challenge theoretical assumptions, develop new applied theories, and make stronger recommendations.

  4. Correlation between ionic size and valence state of tetra, penta and hexavalent B-site substitution with solubility limit, phase transformation and multiferroic properties of Bi0.875Eu0.125FeO3

    Science.gov (United States)

    Mumtaz, Fiza; Jaffari, G. Hassnain; Hassan, Qadeer ul; Shah, S. Ismat

    2018-06-01

    We present detailed comparative study of effect of isovalent i.e. Eu+3 substitution at A-site and tetra (Ti+4, Zr+4), penta (V+5) and hexavalent (W+6) substitutions at B-site in BiFeO3. Eu+3 substitution led to phase transformation and exhibited mixed phases i.e. rhombohedral and orthorhombic, while tetravalent substituents (Ti+4 and Zr+4) led to stabilization of cubic phase. In higher valent (i.e. V+5 and W+6) cases solubility limit was significantly reduced where orthorhombic phase was observed as in the case of parent compound. Phase transformation as a consequence of increase in microstrain and chemical pressure induced by the substituent has been discussed. Solubility limit of different B-site dopants i.e. Zr, W and V was extracted to 5%, 2% and 2%, respectively. Extra phases in various cases were Bi2Fe4O9, Bi25FeO40, Bi14W2O27, and Bi23V4O44.5 and their fractional amount have been quantified. Ti was substituted up to 15% and has been observed to be completely soluble in the parent compound. Solubility limits depends on ionic radii mismatch and valance difference of Fe+3 and dopant, in which valance difference plays more dominant role. Solubility limit and phase transformation has been explained in terms of change in bond strength and tolerance factor induced by incorporation of dopant which depend on its size and valence state. Detail optical, dielectric, ferroelectric, magnetic and transport properties of Eu and Ti co-doped samples and selected low concentration B-site doped compositions (i.e. 2%) have presented and discussed. Two d-d transitions and three charge transfer transitions were observed within UV-VIS range. Both change in cell volume for the same phase and transformation in crystal structure affects the band gap. Increase in room temperature dielectric constant and saturation polarization was also found to increase in case of Eu-Ti co-doped samples with increasing concentration of Ti. Substitution of Eu at A-site and Ti at B-site led to

  5. Conceptual Model of Iodine Behavior in the Subsurface at the Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Truex, Michael J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lee, Brady D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Christian D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Last, George V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lee, Michelle H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kaplan, Daniel I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-09-01

    The fate and transport of 129I in the environment and potential remediation technologies are currently being studied as part of environmental remediation activities at the Hanford Site. A conceptual model describing the nature and extent of subsurface contamination, factors that control plume behavior, and factors relevant to potential remediation processes is needed to support environmental remedy decisions. Because 129I is an uncommon contaminant, relevant remediation experience and scientific literature are limited. Thus, the conceptual model also needs to both describe known contaminant and biogeochemical process information and to identify aspects about which additional information needed to effectively support remedy decisions. this document summarizes the conceptual model of iodine behavior relevant to iodine in the subsurface environment at the Hanford site.

  6. Normal-phase liquid chromatography retention behavior of polycyclic aromatic sulfur heterocycles and alkyl-substituted polycyclic aromatic sulfur heterocycle isomers on an aminopropyl stationary phase.

    Science.gov (United States)

    Wilson, Walter B; Hayes, Hugh V; Sander, Lane C; Campiglia, Andres D; Wise, Stephen A

    2018-02-01

    Retention indices for 67 polycyclic aromatic sulfur heterocycles (PASHs) and 80 alkyl-substituted PASHs were determined using normal-phase liquid chromatography (NPLC) on an aminopropyl (NH 2 ) stationary phase. The retention behavior of PASH on the NH 2 phase is correlated with the number of aromatic carbon atoms and two structural characteristics have a significant influence on their retention: non-planarity (thickness, T) and the position of the sulfur atom in the bay-region of the structure. Correlations between solute retention on the NH 2 phase and T of PASHs were investigated for three cata-condensed (cata-) PASH isomer groups: (a) 13 four-ring molecular mass (MM) 234 Da cata-PASHs, (b) 20 five-ring MM 284 Da cata-PASHs, and (c) 12 six-ring MM 334 Da cata-PASHs. Correlation coefficients ranged from r = -0.49 (MM 234 Da) to r = -0.65 (MM 334 Da), which were significantly lower than structurally similar PAH isomer groups (r = -0.70 to r = -0.99). The NPLC retention behavior of the PASHs are compared to similar results for PAHs.

  7. CosmoQuest Year 1.5: Citizen Scientist Behaviors and Site Usage Across Multiple Projects

    Science.gov (United States)

    Gugliucci, Nicole E.; Gay, P. L.; Bracey, G.; CosmoQuest Team

    2013-06-01

    CosmoQuest launched as a citizen science portal in January 2012 and has since expanded to include three projects in planetary surface mapping, one completed project searching for KBOs, and several more on the way with various astrophysical science goals. We take a close look at how our users move through the site, how much time they spend on various tasks, project retention rate, and how many use multiple projects on the site. We are also piloting a citizen science motivation survey given to random site users to find out why citizen scientists join new projects and continue to participate. This is part of a larger project using online and real-life interactions to study citizen scientist behaviors, motivations, and learning with a goal of building better community with researchers, volunteers, educators, and developers.

  8. Contingencies of self-worth and social-networking-site behavior.

    Science.gov (United States)

    Stefanone, Michael A; Lackaff, Derek; Rosen, Devan

    2011-01-01

    Social-networking sites like Facebook enable people to share a range of personal information with expansive groups of "friends." With the growing popularity of media sharing online, many questions remain regarding antecedent conditions for this behavior. Contingencies of self-worth afford a more nuanced approach to variable traits that affect self-esteem, and may help explain online behavior. A total of 311 participants completed an online survey measuring such contingencies and typical behaviors on Facebook. First, exploratory factor analyses revealed an underlying structure to the seven dimensions of self-worth. Public-based contingencies explained online photo sharing (β = 0.158, p relationship with time online (β = -0.186, p relationship with the intensity of online photo sharing (β = 0.242), although no relationship was evident for time spent managing profiles.

  9. Remote sensing supported surveillance and characterization of tailings behavior at a gold mine site, Finland.

    Science.gov (United States)

    Rauhala, Anssi; Tuomela, Anne; Rossi, Pekka M.; Davids, Corine

    2017-04-01

    The management of vast amounts of tailings produced is one of the key issues in mining operations. The effective and economic disposal of the waste requires knowledge concerning both basic physical properties of the tailings as well as more complex aspects such as consolidation behavior. The behavior of tailings in itself is a very complex issue that can be affected by flocculation, sedimentation, consolidation, segregation, deposition, freeze-thaw, and desiccation phenomena. The utilization of remote sensing in an impoundment-scale monitoring of tailings could benefit the management of tailings, and improve our knowledge on tailings behavior. In order to gain better knowledge of tailings behavior in cold climate, we have utilized both modern remote sensing techniques and more traditional in situ and laboratory measurements in characterizing thickened gold tailings behavior at a Finnish gold mine site, where the production has been halted due to low gold prices. The remote sensing measurements consisted of elevation datasets collected from unmanned aerial vehicles during summers 2015 and 2016, and a further campaign is planned for the summer 2017. The ongoing traditional measurements include for example particle-size distribution, frost heave, frost depth, water retention, temperature profile, and rheological measurements. Initial results from the remote sensing indicated larger than expected settlements on parts of the tailings impoundment, and also highlighted some of the complexities related to data processing. The interpretation of the results and characterization of the behavior is in this case complicated by possible freeze-thaw effects and potential settlement of the impoundment bottom structure consisting of natural peat. Experiments with remote sensing and unmanned aerial vehicles indicate that they could offer potential benefits in frequent mine site monitoring, but there is a need towards more robust and streamlined data acquisition and processing. The

  10. Normal-phase liquid chromatography retention behavior of polycyclic aromatic hydrocarbon and their methyl-substituted derivatives on an aminopropyl stationary phase.

    Science.gov (United States)

    Wilson, Walter B; Hayes, Hugh V; Sander, Lane C; Campiglia, Andres D; Wise, Stephen A

    2017-09-01

    Retention indices for 124 polycyclic aromatic hydrocarbons (PAHs) and 62 methyl-substituted (Me-) PAHs were determined using normal-phase liquid chromatography (NPLC) on a aminopropyl (NH 2 ) stationary phase. PAH retention behavior on the NH 2 phase is correlated to the total number of aromatic carbons in the PAH structure. Within an isomer group, non-planar isomers generally elute earlier than planar isomers. MePAHs generally elute slightly later but in the same region as the parent PAHs. Correlations between PAH retention behavior on the NH 2 phase and PAH thickness (T) values were investigated to determine the influence of non-planarity for isomeric PAHs with four to seven aromatic rings. Correlation coefficients ranged from r = 0.19 (five-ring peri-condensed molecular mass (MM) 252 Da) to r = -0.99 (five-ring cata-condensed MM 278 Da). In the case of the smaller PAHs (MM ≤ 252 Da), most of the PAHs had a planar structure and provided a low correlation. In the case of larger PAHs (MM ≥ 278 Da), nonplanarity had a significant influence on the retention behavior and good correlation between retention and T was obtained for the MM 278 Da, MM 302 Da, MM 328 Da, and MM 378 Da isomer sets. Graphical abstract NPLC separation of the three-, four-, five-, and six-ring PAH isomers with different number of aromatic carbon atoms and degrees of non-planarity (Thickness, T). The inserted figure plots the number of aromatic carbon atoms vs. the log I value for the 124 parent PAHs.

  11. Behavioral economic substitution between conventional cigarettes and e-cigarettes differs as a function of the frequency of e-cigarette use.

    Science.gov (United States)

    Snider, Sarah E; Cummings, K Michael; Bickel, Warren K

    2017-08-01

    Models measuring the interactions between consumption of conventional cigarettes and electronic cigarettes (e-cigarettes) in the marketplace are becoming vital forecast tools as the popularity of e-cigarettes increases and policy on tobacco products changes. Behavioral economics, which involves the integration of psychology and consumer demand, can be used to measure individuals' purchase behavior under different marketplace conditions. Our goal was to measure hypothetical conventional cigarette and e-cigarette purchasing among smokers with varying e-cigarette use patterns. Daily cigarette smokers were recruited using Amazon Mechanical Turk, an online crowdsourcing tool. Participants were asked about their frequency of e-cigarette use and to complete hypothetical single and cross-commodity purchase tasks. Frequency of e-cigarette use differentially affected how individuals consumed both conventional and e- cigarettes in different hypothetical marketplace conditions. The present study demonstrates four main findings: 1) the demand for conventional cigarettes was the lowest in those with greater frequency of e-cigarette use, 2) the demand for e-cigarettes was the highest in those with greater frequency of e-cigarette use, 3) when both products were available together, daily e-cigarette users purchased more e-cigarettes, but e-cigarettes served as a substitute for cigarettes in all groups regardless of frequency of use, and 4) the demand for conventional cigarette demand was lower in frequent e-cigarette users when e-cigarettes were concurrently available. Together, these data suggest that price and marketplace conditions will impact purchasing behavior of conventional and e-cigarettes users heterogeneously. Therefore, frequency of use patterns should be considered when implementing novel policies and/or marketplace changes. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. The Effect of Loneliness on Social Networking Sites Use and Its Related Behaviors.

    Science.gov (United States)

    Ranaeiy, Samira; Taghavi, Mohammad Reza; Goodarzi, Mohammad Ali

    2016-08-01

    The current research was conducted to examine the effect of "Loneliness", on time spent in Social Networking Sites (S.N.S), main reasons for S.N.S use, and its related behaviors. 156 students of Shiraz University voluntarily participated in this research. Loneliness was assessed usingthe UCLA Loneliness scale. 25% of highest scoring students reported that they were lonely whereas 25% of the lowest scoring students were considered to be non-lonely. The positive and negative reasons of using S.N.S were assessed based on Reasons for Internet Use Scale, and internet behaviors were assessed based on Scale of Internet Behaviors. There was no difference in time spent in S.N.S as well as the positive and negative reasons of using S.N.S (contrary to literature), but internet behaviors showed a significant difference between "lonely" and "non-lonely" individuals. "Lonely" and "non-lonely" individuals showed a significant difference in "social aspect" of S.N.S behaviors. There was also a significant difference between "Lonely" and "non-Lonely" individuals in "Negative impact" of S.N.S behaviors. Yet, there seemed to be no difference in "competency and convenience aspect" of S.N.S behaviors. This study suggested that there is no difference between lonely and non-lonely individuals in reasons for using S.N.S and time spent in S.N.S. This finding stands contrary to previous research findings and general literature on the subject In other words, what drives people to S.N.S at the first place shows no significant difference between lonely and non-lonely individuals while after attending S.N.S, social behavior of lonely individuals shows a significant difference which is consistently enhanced online. Lonely people also significantly develop internet-related problems in their daily functioning, including interference with real life socializing.

  13. Site occupancy and magnetic study of Al{sup 3+} and Cr{sup 3+} co-substituted Y{sub 3}Fe{sub 5}O{sub 12}

    Energy Technology Data Exchange (ETDEWEB)

    Bouziane, K. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman)], E-mail: bouzi@squ.edu.om; Yousif, A.; Widatallah, H.M. [Department of Physics, College of Science, Sultan Qaboos University, P.O. Box 36, PC 123, Muscat, Sultanate of Oman (Oman); Amighian, J. [Department of Physics, University of Isfahan, Isfahan (Iran, Islamic Republic of)

    2008-10-15

    Single-phased polycrystalline Y{sub 3}Fe{sub 5-2x}Al{sub x}Cr{sub x}O{sub 12} garnet samples (x=0, 0.2, 0.4 and 0.6) have been prepared by the conventional ceramic technique. Rietveld refinement of X-ray diffraction patterns of the samples shows them to crystallize in the Ia3d space group and the corresponding lattice constant to decrease with increasing Al{sup 3+} and Cr{sup 3+} contents (x). Moessbauer results indicate that Cr{sup 3+} substitutes for Fe{sup 3+} at the octahedral sites whilst Al{sup 3+} essentially replaces Fe{sup 3+} at the tetrahedral sites. This result indicates that co-doping of Y{sub 3}Fe{sub 5}O{sub 12} does not affect the preferential site occupancy for separate individual substitution of either Cr{sup 3+} or Al{sup 3+}. The magnetization measurements reveal that the Curie temperature (T{sub c}) monotonically decreases with increasing x while the magnetic moment per unit formula decreases up to x=0.4 and then slightly increases for x=0.6. This reflects a progressive weakening of the ferrimagnetic exchange interaction between the Fe{sup 3+} ions at octahedral and tetrahedral sites due to co-substitution. The magnetic moment was calculated using the cations distribution inferred from the Moessbauer data and the collinear ferrimagnetic model, and was found to agree reasonably with the experimentally measured value. The phenomenological amplitude crossover, characterized by the temperature T*, has also been observed in the doped YIG and briefly discussed.

  14. Conceptual Model of Iodine Behavior in the Subsurface at the Hanford Site

    Energy Technology Data Exchange (ETDEWEB)

    Truex, Michael J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lee, Brady D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Christian D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Szecsody, James E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kyle, Jennifer E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tfaily, Malak M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Snyder, Michelle MV [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cantrell, Kirk J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Saunders, Danielle L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lawter, Amanda R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Oostrom, Martijn L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tartakovsky, Guzel D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Leavy, Ian I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McElroy, Erin M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Appriou, Delphine [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sahajpal, Rahul [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Carroll, Matthew M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chu, Rosalie K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cordova, Elsa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Last, George V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lee, Hope [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kaplan, Daniel I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Garcia, Whitney L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kerisit, Sebastien N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Odeta [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bowden, Mark E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Smith, Frances N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Toyoda, Jason G. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Plymale, Andrew E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-09-01

    Isotopes of iodine were generated during plutonium production within the nine production reactors at the U.S. Department of Energy Hanford Site. The short half-life 131I that was released from the fuel into the atmosphere during the dissolution process (when the fuel was dissolved) in the Hanford Site 200 Area is no longer present at concentrations of concern in the environment. The long half-life 129I generated at the Hanford Site during reactor operations was (1) stored in single-shell and double-shell tanks, (2) discharged to liquid disposal sites (e.g., cribs and trenches), (3) released to the atmosphere during fuel reprocessing operations, or (4) captured by off-gas absorbent devices (silver reactors) at chemical separations plants (PUREX, B-Plant, T-Plant, and REDOX). Releases of 129I to the subsurface have resulted in several large, though dilute, plumes in the groundwater. There is also 129I remaining in the vadose zone beneath disposal or leak locations. The fate and transport of 129I in the environment and potential remediation technologies are currently being studied as part of environmental remediation activities at the Hanford Site. A conceptual model describing the nature and extent of subsurface contamination, factors that control plume behavior, and factors relevant to potential remediation processes is needed to support environmental remedy decisions. Because 129I is an uncommon contaminant, relevant remediation experience and scientific literature are limited. In addition, its behavior in subsurface is different from that of other more common and important contaminants (e.g., U, Cr and Tc) in terms of sorption (adsorption and precipitation), and aqueous phase species transformation via redox reactions. Thus, the conceptual model also needs to both describe known contaminant and biogeochemical process information and identify aspects about which additional information is needed to effectively support remedy decisions.

  15. An equilibrium model for ligand-modified micellar-enhanced ultrafiltration. Selective separation of metal ions using iminoacetic substituted polyamines and a theoretical model for the titration behavior of polyamines

    Energy Technology Data Exchange (ETDEWEB)

    Dharmawardana, Udeni Rajaratna [Univ. of Oklahoma, Norman, OK (United States)

    1992-01-01

    This thesis consists of three chapters. Chapter 1, An equilibrium model for ligand-modified micellar-enhanced ultrafiltration, describes a theoretical model and experimental investigations which used the semi-equilibrium-dialysis method with N-n-dodecyl iminodiacetic acid as the ligand. In Chapter 2, Selective separation of metal ions using iminoacetic substituted polyamines, polyamines with a substituted ligand group are synthesized and used in investigating selective separation of copper ions from aqueous solution. In Chapter 3, A theoretical model for the titration behavior of polyamines, a novel approach to explain the titration behavior of polymeric amines based on the binding behavior of counterions is described. The application of this study is to the investigation of inexpensive and efficient methods of industrial waste water treatment.

  16. [Currently available skin substitutes].

    Science.gov (United States)

    Oravcová, Darina; Koller, Ján

    2014-01-01

    The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. Autologous split or full-thickness skin graft are the best definitive burn wound coverage, but it is constrained by the limited available sources, especially in major burns. Donor site morbidities in term of additional wounds and scarring are also of concern of the autograft application. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. This paper reviews currently available skin substitutes, produced in not for-profit skin banks as well as commercially available. They are divided according to type of material included, as biological, biosynthetic and synthetic and named respectively.

  17. Ground motion estimation for the elevated bridges of the Kyushu Shinkansen derailment caused by the foreshock of the 2016 Kumamoto earthquake based on the site-effect substitution method

    Science.gov (United States)

    Hata, Yoshiya; Yabe, Masaaki; Kasai, Akira; Matsuzaki, Hiroshi; Takahashi, Yoshikazu; Akiyama, Mitsuyoshi

    2016-12-01

    An earthquake of JMA magnitude 6.5 (first event) hit Kumamoto Prefecture, Japan, at 21:26 JST, April 14, 2016. Subsequently, an earthquake of JMA magnitude 7.3 (second event) hit Kumamoto and Oita Prefectures at 01:46 JST, April 16, 2016. An out-of-service Kyushu Shinkansen train carrying no passengers traveling on elevated bridges was derailed by the first event. This was the third derailment caused by an earthquake in the history of the Japanese Shinkansen, after one caused by the 2004 Mid-Niigata Prefecture Earthquake and another triggered by the 2011 Tohoku Earthquake. To analyze the mechanism of this third derailment, it is crucial to evaluate the strong ground motion at the derailment site with high accuracy. For this study, temporary earthquake observations were first carried out at a location near the bridge site; these observations were conducted because although the JMA Kumamoto Station site and the derailment site are closely located, the ground response characteristics at these sites differ. Next, empirical site amplification and phase effects were evaluated based on the obtained observation records. Finally, seismic waveforms during the first event at the bridge site of interest were estimated based on the site-effect substitution method. The resulting estimated acceleration and velocity waveforms for the derailment site include much larger amplitudes than the waveforms recorded at the JMA Kumamoto and MLIT Kumamoto station sites. The reliability of these estimates is confirmed by the finding that the same methods reproduce strong ground motions at the MLIT Kumamoto Station site accurately. These estimated ground motions will be useful for reasonable safety assessment of anti-derailment devices on elevated railway bridges.[Figure not available: see fulltext.

  18. Goethite surface reactivity: III. Unifying arsenate adsorption behavior through a variable crystal face - Site density model

    Science.gov (United States)

    Salazar-Camacho, Carlos; Villalobos, Mario

    2010-04-01

    We developed a model that describes quantitatively the arsenate adsorption behavior for any goethite preparation as a function of pH and ionic strength, by using one basic surface arsenate stoichiometry, with two affinity constants. The model combines a face distribution-crystallographic site density model for goethite with tenets of the Triple Layer and CD-MUSIC surface complexation models, and is self-consistent with its adsorption behavior towards protons, electrolytes, and other ions investigated previously. Five different systems of published arsenate adsorption data were used to calibrate the model spanning a wide range of chemical conditions, which included adsorption isotherms at different pH values, and adsorption pH-edges at different As(V) loadings, both at different ionic strengths and background electrolytes. Four additional goethite-arsenate systems reported with limited characterization and adsorption data were accurately described by the model developed. The adsorption reaction proposed is: lbond2 FeOH +lbond2 SOH +AsO43-+H→lbond2 FeOAsO3[2-]…SOH+HO where lbond2 SOH is an adjacent surface site to lbond2 FeOH; with log K = 21.6 ± 0.7 when lbond2 SOH is another lbond2 FeOH, and log K = 18.75 ± 0.9, when lbond2 SOH is lbond2 Fe 2OH. An additional small contribution of a protonated complex was required to describe data at low pH and very high arsenate loadings. The model considered goethites above 80 m 2/g as ideally composed of 70% face (1 0 1) and 30% face (0 0 1), resulting in a site density for lbond2 FeOH and for lbond2 Fe 3OH of 3.125/nm 2 each. Below 80 m 2/g surface capacity increases progressively with decreasing area, which was modeled by considering a progressively increasing proportion of faces (0 1 0)/(1 0 1), because face (0 1 0) shows a much higher site density of lbond2 FeOH groups. Computation of the specific proportion of faces, and thus of the site densities for the three types of crystallographic surface groups present in

  19. Are Social Networking Sites Making Health Behavior Change Interventions More Effective? A Meta-Analytic Review.

    Science.gov (United States)

    Yang, Qinghua

    2017-03-01

    The increasing popularity of social networking sites (SNSs) has drawn scholarly attention in recent years, and a large amount of efforts have been made in applying SNSs to health behavior change interventions. However, these interventions showed mixed results, with a large variance of effect sizes in Cohen's d ranging from -1.17 to 1.28. To provide a better understanding of SNS-based interventions' effectiveness, a meta-analysis of 21 studies examining the effects of health interventions using SNS was conducted. Results indicated that health behavior change interventions using SNS are effective in general, but the effects were moderated by health topic, methodological features, and participant features. Theoretical and practical implications of findings are discussed.

  20. Risky Behaviors and Social Networking Sites: How Is YouTube Influencing Our Youth?

    Science.gov (United States)

    Ahern, Nancy R; Sauer, Penny; Thacker, Paige

    2015-10-01

    Choking, cutting, and setting oneself on fire are just a few of the risky behaviors that the YouTube video sharing website has allowed youth around the world to view, emulate, and comment on. Some researchers contend that the viewing of videos may normalize these behaviors for youth. Disturbing current trends are explored to illustrate the darker side of YouTube. Psychiatric-mental health nurses (PMHNs) are in key positions to help parents and youth better understand the benefits and risks of social networking sites, including YouTube, and to encourage healthy and safe use of the Internet. Nursing implications are offered for PMHNs, educators, health care providers, and parents who have contact with this population. Copyright 2015, SLACK Incorporated.

  1. A nucleotide substitution at the 5′ splice site of intron 1 of rice HEADING DATE 1 (HD1 gene homolog in foxtail millet, broadly found in landraces from Europe and Asia

    Directory of Open Access Journals (Sweden)

    Kenji Fukunaga

    2015-12-01

    Full Text Available We investigated genetic variation of a rice HEADING DATE 1(HD1 homolog in foxtail millet. First, we searched for a rice HD1 homolog in a foxtail millet genome sequence and designed primers to amplify the entire coding sequence of the gene. We compared full HD1 gene sequences of 11 accessions (including Yugu 1, a Chinese cultivar used for genome sequencing from various regions in Europe and Asia, found a nucleotide substitution at a putative splice site of intron 1, and designated the accessions with the nucleotide substitution as carrying a splicing variant. We verified by RT-PCR that this single nucleotide substitution causes aberrant splicing of intron 1. We investigated the geographical distribution of the splicing variant in 480 accessions of foxtail millet from various regions of Europe and Asia and part of Africa by dCAPS and found that the splicing variant is broadly distributed in Europe and Asia. Differences of heading times between accessions with wild type allele of the HD1 gene and those with the splicing variant allele were unclear. We also investigated variation in 13 accessions of ssp. viridis, the wild ancestor, and the results suggested that the wild type is predominant in the wild ancestor.

  2. Following the Formation of Active Co(III) Sites in Cobalt Substituted Aluminophosphates Catalysts by In-Situ Combined UV-VIS/XAFS/XRD Technique

    International Nuclear Information System (INIS)

    Sankar, Gopinathan; Fiddy, Steven; Harvey, Ian; Hayama, Shusaku; Bushnell-Wye, Graham; Beale, Andrew M.

    2007-01-01

    Cobalt substituted aluminophosphates, CoAlPO-34 (Chabazite structure) and DAF-8 (Phillipsite structure) were investigated by in situ combined XRD/EXAFS/UV-VIS technique. In-situ combined XRD, Co K-edge EXAFS and UV-Vis measurements carried out during the calcination process reveal that CoAlPO-34 containing 10 wt percent cobalt is stable and the cobalt ions are converted from Co(II) in the as synthesised form to Co(III); DAF-8 containing about 25 percent cobalt is not stable and does not show change in oxidation state

  3. A-site substitution effect of strontium on bismuth layered CaBi{sub 4}Ti{sub 4}O{sub 15} ceramics on electrical and piezoelectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Tanwar, Amit, E-mail: amit07tanwar@gmail.com [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Verma, Maya; Gupta, Vinay; Sreenivas, K. [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2011-10-17

    Strontium substituted CaBi{sub 4}Ti{sub 4}O{sub 15} ceramics with the chemical formula Ca{sub 1-x}Sr{sub x}Bi{sub 4}Ti{sub 4}O{sub 15} (CSBT) (x = 0.0-1.0) have been prepared through conventional solid state route. The formation of single phase material with orthorhombic structure was verified from X-ray diffraction with incorporation of Sr substitution. Decrease in a-axis displacement of Bi ion in the perovskite structure in the CSBT ceramics were observed from the relative changes in soft mode (20 cm{sup -1}) in the Raman spectra, and increase in Sr incorporation shows the shift in ferroelectric to paraelectric phase transition temperature. The dielectric properties for all the CSBT ceramic compositions are studied as a function of temperature over the frequency range of 100 Hz-1 MHz. Curie's temperature was found to be function of Sr substitution and with increase in the Sr concentration the phase transition becomes sharper and phase transition temperature gets shifted towards lower temperature (790-545 deg. C). The behavior of ac conductivity as a function of frequency (100 Hz-1 MHz) at low temperature (<500 deg. C) follows the power law and attributed to hopping conduction mechanism. Sr substitution results in the increase in piezoelectric coefficients (d{sub 33}) whereas piezoelectric charge coefficient values were found comparable to that of PZT at room temperature. Relative changes in soft modes due to Sr incorporation results in high piezoelectricity in the CSBT ceramics.

  4. Spatio-temporal segregation of calling behavior at a multispecies fish spawning site in Little Cayman

    Science.gov (United States)

    Cameron, K. C.; Sirovic, A.; Jaffe, J. S.; Semmens, B.; Pattengill-Semmens, C.; Gibb, J.

    2016-02-01

    Fish spawning aggregation (FSA) sites are extremely vulnerable to over-exploitation. Accurate understanding of the spatial and temporal use of such sites is necessary for effective species management. The size of FSAs can be on the order of kilometers and peak spawning often occurs at night, posing challenges to visual observation. Passive acoustics are an alternative method for dealing with these challenges. An array of passive acoustic recorders and GoPro cameras were deployed during Nassau grouper (Epinephelus striatus) spawning from February 7th to 12th, 2015 at a multispecies spawning aggregation site in Little Cayman, Cayman Islands. In addition to Nassau grouper, at least 10 other species are known to spawn at this location including tiger grouper (Mycteroperca tigris), red hind (Epinephelus guttatus), black grouper (Mycteroperca bonaci), and yellowfin grouper (Mycteroperca venenosa). During 5 days of continuous recordings, over 21,000 fish calls were detected. These calls were classified into 15 common types. Species identification and behavioral context of unknown common call types were determined by coupling video recordings collected during this time with call localizations. There are distinct temporal patterns in call production of different species. For example, red hind and yellowfin grouper call predominately at night with yellowfin call rates increasing after midnight, and black grouper call primarily during dusk and dawn. In addition, localization methods were used to reveal how the FSA area was divided among species. These findings facilitate a better understanding of the behavior of these important reef fish species allowing policymakers to more effectively manage and protect them.

  5. Active Sites of Reduced Epidermal Fluorescence1 (REF1) Isoforms Contain Amino Acid Substitutions That Are Different between Monocots and Dicots.

    Science.gov (United States)

    Missihoun, Tagnon D; Kotchoni, Simeon O; Bartels, Dorothea

    2016-01-01

    Plant aldehyde dehydrogenases (ALDHs) play important roles in cell wall biosynthesis, growth, development, and tolerance to biotic and abiotic stresses. The Reduced Epidermal Fluorescence1 is encoded by the subfamily 2C of ALDHs and was shown to oxidise coniferaldehyde and sinapaldehyde to ferulic acid and sinapic acid in the phenylpropanoid pathway, respectively. This knowledge has been gained from works in the dicotyledon model species Arabidopsis thaliana then used to functionally annotate ALDH2C isoforms in other species, based on the orthology principle. However, the extent to which the ALDH isoforms differ between monocotyledons and dicotyledons has rarely been accessed side-by-side. In this study, we used a phylogenetic approach to address this question. We have analysed the ALDH genes in Brachypodium distachyon, alongside those of other sequenced monocotyledon and dicotyledon species to examine traits supporting either a convergent or divergent evolution of the ALDH2C/REF1-type proteins. We found that B. distachyon, like other grasses, contains more ALDH2C/REF1 isoforms than A. thaliana and other dicotyledon species. Some amino acid residues in ALDH2C/REF1 isoforms were found as being conserved in dicotyledons but substituted by non-equivalent residues in monocotyledons. One example of those substitutions concerns a conserved phenylalanine and a conserved tyrosine in monocotyledons and dicotyledons, respectively. Protein structure modelling suggests that the presence of tyrosine would widen the substrate-binding pocket in the dicotyledons, and thereby influence substrate specificity. We discussed the importance of these findings as new hints to investigate why ferulic acid contents and cell wall digestibility differ between the dicotyledon and monocotyledon species.

  6. Active Sites of Reduced Epidermal Fluorescence1 (REF1 Isoforms Contain Amino Acid Substitutions That Are Different between Monocots and Dicots.

    Directory of Open Access Journals (Sweden)

    Tagnon D Missihoun

    Full Text Available Plant aldehyde dehydrogenases (ALDHs play important roles in cell wall biosynthesis, growth, development, and tolerance to biotic and abiotic stresses. The Reduced Epidermal Fluorescence1 is encoded by the subfamily 2C of ALDHs and was shown to oxidise coniferaldehyde and sinapaldehyde to ferulic acid and sinapic acid in the phenylpropanoid pathway, respectively. This knowledge has been gained from works in the dicotyledon model species Arabidopsis thaliana then used to functionally annotate ALDH2C isoforms in other species, based on the orthology principle. However, the extent to which the ALDH isoforms differ between monocotyledons and dicotyledons has rarely been accessed side-by-side. In this study, we used a phylogenetic approach to address this question. We have analysed the ALDH genes in Brachypodium distachyon, alongside those of other sequenced monocotyledon and dicotyledon species to examine traits supporting either a convergent or divergent evolution of the ALDH2C/REF1-type proteins. We found that B. distachyon, like other grasses, contains more ALDH2C/REF1 isoforms than A. thaliana and other dicotyledon species. Some amino acid residues in ALDH2C/REF1 isoforms were found as being conserved in dicotyledons but substituted by non-equivalent residues in monocotyledons. One example of those substitutions concerns a conserved phenylalanine and a conserved tyrosine in monocotyledons and dicotyledons, respectively. Protein structure modelling suggests that the presence of tyrosine would widen the substrate-binding pocket in the dicotyledons, and thereby influence substrate specificity. We discussed the importance of these findings as new hints to investigate why ferulic acid contents and cell wall digestibility differ between the dicotyledon and monocotyledon species.

  7. Neptunium Transport Behavior in the Vicinity of Underground Nuclear Tests at the Nevada Test Site

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, P; Tinnacher, R M; Zavarin, M; Williams, R W; Kersting, A B

    2010-12-03

    We used short lived {sup 239}Np as a yield tracer and state of the art magnetic sector ICP-MS to measure ultra low levels of {sup 237}Np in a number of 'hot wells' at the Nevada National Security Site (NNSS), formerly known as the Nevada Test Site (NTS). The results indicate that {sup 237}Np concentrations at the Almendro, Cambric, Dalhart, Cheshire and Chancellor sites, are in the range of 3 x 10{sup -5} to 7 x 10{sup -2} pCi/L and well below the MCL for alpha emitting radionuclides (15 pCi/L) (EPA, 2009). Thus, while Np transport is believed to occur at the NNSS, activities are expected to be well below the regulatory limits for alpha-emitting radionuclides. We also compared {sup 237}Np concentration data to other radionuclides, including tritium, {sup 14}C, {sup 36}Cl, {sup 99}Tc, {sup 129}I, and plutonium, to evaluate the relative {sup 237}Np transport behavior. Based on isotope ratios relative to published unclassified Radiologic Source Terms (Bowen et al., 1999) and taking into consideration radionuclide distribution between melt glass, rubble and groundwater (IAEA, 1998), {sup 237}Np appears to be substantially less mobile than tritium and other non-sorbing radionuclides, as expected. However, this analysis also suggests that {sup 237}Np mobility is surprisingly similar to that of plutonium. The similar transport behavior of Np and Pu can be explained by one of two possibilities: (1) Np(IV) and Pu(IV) oxidation states dominate under mildly reducing NNSS groundwater conditions resulting in similar transport behavior or (2) apparent Np transport is the result of transport of its parent {sup 241}Pu and {sup 241}Am isotopes and subsequent decay to {sup 237}Np. Finally, measured {sup 237}Np concentrations were compared to recent Hydrologic Source Term (HST) models. The 237Np data collected from three wells in Frenchman Flat (RNM-1, RNM-2S, and UE-5n) are in good agreement with recent HST transport model predictions (Carle et al., 2005). The agreement

  8. Simple, heart-smart substitutions

    Science.gov (United States)

    Coronary artery disease - heart smart substitutions; Atherosclerosis - heart smart substitutions; Cholesterol - heart smart substitutions; Coronary heart disease - heart smart substitutions; Healthy diet - heart ...

  9. Impact of offshore nuclear generating stations on recreational behavior at adjacent coastal sites. Technical report

    International Nuclear Information System (INIS)

    Baker, E.J.; Moss, D.J.; West, S.G.; Weyant, J.K.

    1977-12-01

    A multi-faceted investigation was undertaken to project the impact of offshore nuclear power plants on beach visitation at adjacent beaches. 1. Related literature was reviewed concerning human adjustment to natural hazards, risk-taking behavior, and public attitudes toward nuclear power. 2. Approximately 2400 people were interviewed at beaches in three states with respect to: (a) intended avoidance of beaches near a hypothetical floating nuclear plant (FNP), (b) relative importance of proximity to a FNP, when compared to other beach attributes, (c) onshore-offshore preference for coastal nuclear plant location, (d) behavioral impact of NRC licensing of FNP's, (e) relative tourism impact of coastal nuclear plant compared to coastal coal-fired plant, (f) public concerns about nuclear safety, (g) public attitudes toward alternative energy sources, (h) public confidence in sources of information about nuclear power, (i) visual impact of a FNP, and (j) knowledge about nuclear power. 3. Four beach areas near currently operating coastal nuclear power plants were studied to assess impacts on tourism resulting from plant construction. Data suggest that proximity of a FNP is less important than other beach attributes in determining beach attractiveness, probably no more than (and perhaps less than) 5% to 10% of current beach patrons would avoid a beach after FNP siting three miles directly offshore, and impact of a FNP would decrease exponentially as distance away increased

  10. Search behavior of arboreal insectivorous migrants at gulf coast stopover sites in spring

    Science.gov (United States)

    Chen, Chao-Chieh; Barrow, W.C.; Ouchley, K.; Hamilton, R.B.

    2011-01-01

    Search behavior of arboreal insectivorous migrants was studied at three stopover sites along the northern coast of the Gulf of Mexico during spring migrations, 1993–1995. We examined if search behavior was affected by phylogeny, or by environmental factors. A sequence of search movements (hop, flutter, or flight) in a foraging bout was recorded for each migrant encountered. Search rate, frequency, and distance of movements were calculated for each species. Search rate was positively correlated with proportion of hop, but negatively correlated to flight distance. Hop distance was positively correlated to tarsus length, as was flight distance to wing length for the 31 species of migrants. Cluster analysis indicated closely related species generally have similar foraging modes, which range from “sit-and-wait” of flycatchers to “widely foraging” of warblers. Migrants tended to use more hops in dense vegetation, but more flights in areas with sparse vegetation. Migrants also used more flights when foraging in mixed-species flocks and during periods of high migrant density. Logistic models indicated warblers were more influenced by environmental factors than vireos, possibly because warblers are near-perch searchers and more affected by these factors.

  11. Impact of offshore nuclear generating stations on recreational behavior at adjacent coastal sites

    International Nuclear Information System (INIS)

    Baker, E.J.; West, S.G.; Moss, D.J.; Weyant, J.K.

    1977-10-01

    A multi-faceted investigation was undertaken to project the impact of offshore nuclear power plants on beach visitation at adjacent beaches. Related literature was reviewed concerning human adjustment to natural hazards, risk-taking behavior, and public attitudes toward nuclear power. Approximately 2400 people were interviewed at beaches in three states with respect to: intended avoidance of beaches near a hypothetical floating nuclear plant (FNP), relative importance of proximity to a FNP, when compared to other beach attributes, onshore-offshore preference for coastal nuclear plant location, behavioral impact of NRC licensing of FNPs, relative tourism impact of coastal nuclear plant compared to coastal coal-fired plant, public concerns about nuclear safety, public attitudes toward alternative energy sources, public confidence in sources of information about nuclear power, visual impact of a FNP, and knowledge about nuclear power. Four beach areas near currently operating coastal nuclear power plants were studied to assess impacts on tourism resulting from plant construction. Data suggest that proximity of a FNP is less important than other beach attributes in determining beach attractiveness, probably no more than (and perhaps less than) 5% to 10% of current beach patrons would avoid a beach after FNP siting three miles directly offshore, and impact of a FNP would decrease exponentially as distance away increased

  12. A comparison of geospatially modeled fire behavior and potential application to fire and fuels management for the Savannah River Site.

    Energy Technology Data Exchange (ETDEWEB)

    Kurth, Laurie; Hollingsworth, LaWen; Shea, Dan

    2011-12-20

    This study evaluates modeled fire behavior for the Savannah River Site in the Atlantic Coastal Plain of the southeastern U.S. using three data sources: FCCS, LANDFIRE, and SWRA. The Fuel Characteristic Classification System (FCCS) was used to build fuelbeds from intensive field sampling of 629 plots. Custom fire behavior fuel models were derived from these fuelbeds. LANDFIRE developed surface fire behavior fuel models and canopy attributes for the U.S. using satellite imagery informed by field data. The Southern Wildfire Risk Assessment (SWRA) developed surface fire behavior fuel models and canopy cover for the southeastern U.S. using satellite imagery.

  13. Randomized, Paired-Site Comparison of Autologous Engineered Skin Substitutes and Split-Thickness Skin Graft for Closure of Extensive, Full-Thickness Burns.

    Science.gov (United States)

    Boyce, Steven T; Simpson, Peggy S; Rieman, Mary T; Warner, Petra M; Yakuboff, Kevin P; Bailey, J Kevin; Nelson, Judith K; Fowler, Laura A; Kagan, Richard J

    Stable closure of full-thickness burn wounds remains a limitation to recovery from burns of greater than 50% of the total body surface area (TBSA). Hypothetically, engineered skin substitutes (ESS) consisting of autologous keratinocytes and fibroblasts attached to collagen-based scaffolds may reduce requirements for donor skin, and decrease mortality. ESS were prepared from split-thickness skin biopsies collected after enrollment of 16 pediatric burn patients into an approved study protocol. ESS and split-thickness autograft (AG) were applied to 15 subjects with full-thickness burns involving a mean of 76.9% TBSA. Data consisted of photographs, tracings of donor skin and healed wounds, comparison of mortality with the National Burn Repository, correlation of TBSA closed wounds with TBSA full-thickness burn, frequencies of regrafting, and immunoreactivity to the biopolymer scaffold. One subject expired before ESS application, and 15 subjects received 2056 ESS grafts. The ratio of closed wound to donor areas was 108.7 ± 9.7 for ESS compared with a maximum of 4.0 ± 0.0 for AG. Mortality for enrolled subjects was 6.25%, and 30.3% for a comparable population from the National Burn Repository (P burn generated an R value of 0.65 (P burns of greater than 50% TBSA.

  14. On-site study of HCFC-22 substitution for HFC non-azeotropic blends (R417A, R422D) on a water chiller of a centralized HVAC system

    Energy Technology Data Exchange (ETDEWEB)

    Torrella, E.; Larumbe, J.A. [Polytechnic University of Valencia, Dep. of Applied Thermodynamics, Camino de Vera 14, E-46022 Valencia (Spain); Cabello, R.; Sanchez, D.; Llopis, R. [Jaume I University, Dep. of Mechanical Engineering and Construction, Campus de Riu Sec s/n, E-12071 Castellon (Spain)

    2010-09-15

    The European Regulation no 2037/2000 has banned manufacturing HCFC refrigerants from January 1st 2010, although its use is allowed up to 2015 if the fluids come from a recycling process. This situation creates the need for developing new working fluids to replace the HCFC in the refrigeration plants now in operation. Among all the HCFCs the R22 is the most widely used in a wide range of applications, especially in air conditioning. This work presents an on-site experimental study of the R22 replacement by two possible substitutes, the HFC-417A and the HFC-422D, in a water chiller in which the energy performance was evaluated. This chiller is part of the centralized HVAC system of a lecture room building at the Jaume I University of Castellon, Spain. This communication compares and analyses main operation parameters of the chiller when operating with each refrigerant in real conditions. (author)

  15. Effect of A-site substitution on crystal component and dielectric properties in Bi0.5Na0.5TiO3 ceramics

    International Nuclear Information System (INIS)

    Qu Yanfang; Shan Dan; Song Jianjing

    2005-01-01

    A-site replacement is common used in optimizing the electric properties of Bi 0.5 Na 0.5 TiO 3 (abbreviated to BNT). The effect of Ba 2+ doping in BNT capacitor ceramics is investigated here. After the samples containing 6 at.% Ba 2+ was sintered at 1180 deg. C for 2 h, capacitor ceramics with enhanced dielectric properties was fabricated, compared with pure BNT ceramics. It can be concluded from the experiment results that Ba 2+ replaced the ions in A-site, and the lattice structure was altered, which led to the improvement of dielectric properties in BNT ceramics. Then we discussed the phase transformation process from room temperature to 400 deg. C according to the dielectric properties-temperature graphs

  16. Modeling of 137Cs and 90Sr behavior in the soil-plant system within the territory adjacent to 'Experimental field' technical site in the Semipalatinsk test site

    International Nuclear Information System (INIS)

    Spiridonov, S.I.; Gontarenko, I.A.; Mukusheva, M.K.

    2005-01-01

    Modelling of 137 Cs and 90 Sr behavior in the soil-plant system is presented. Models have been parameterized for the area adjacent to the 'Experimental Field' Technical Site of the Semipalatinsk Test Site. The models describe the main processes responsible for changes of 137 Cs and 90 Sr content in the soil solution and, thereby, dynamics of radionuclides intake by vegetation. Results are presented from perspective and retrospective calculations, that reflect the dynamics of 137 and 90 Sr distribution by species in soil after nuclear explosions. The importance of factors governing radionuclide accumulation in plants within Semipalatinsk test site area is assessed. The analysis of sensitivity of model output variable to change in its parameters has revealed that the key soil properties significantly influence the results of prediction of radionuclide content in plants. (author)

  17. Structural, dielectric and gas sensing behavior of Mn substituted spinel MFe{sub 2}O{sub 4} (M=Zn, Cu, Ni, and Co) ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ranjith Kumar, E., E-mail: ranjueaswar@gmail.com [Department of Physics, Dr. NGP Institute of Technology, Coimbatore 641048, Tamil Nadu (India); Siva Prasada Reddy, P.; Sarala Devi, G. [Inorganic and Physical Chemistry Division, Indian Institute Chemical Technology, Hyderabad 500607 (India); Sathiyaraj, S. [Department of Chemistry, Dr. NGP Institute of Technology, Coimbatore 641048, Tamil Nadu (India)

    2016-01-15

    Spinel ferrite (MnZnFe{sub 2}O{sub 4}, MnCuFe{sub 2}O{sub 4}, MnNiFe{sub 2}O{sub 4} and MnCoFe{sub 2}O{sub 4}) nanoparticles have been prepared by evaporation method. The annealing temperature plays an important role on changing particle size of the spinel ferrite nanoparticles was found out by X-ray diffraction and transmission electron microscopy. The role of manganese substitution in the spinel ferrite nanoparticles were also analyzed for different annealing temperature. The substitution of Mn also creates a vital change in dielectric properties have been measured in the frequency range of 100 kHz to 5 MHz. These spinel ferrites are decomposed to α-Fe{sub 2}O{sub 3} after annealing above 550 °C in air. Through the characterization of the prepared powder, the effect of annealing temperature, chemical composition and preparation technique on the microstructure, particle size and dielectric properties of the Mn substituted spinel ferrite nanoparticles are discussed. Furthermore, Conductance response of Mn substituted MFe{sub 2}O{sub 4} ferrite nanoparticles were measured by exposing the materials to reducing gas like liquefied petroleum gas (LPG). - Highlights: • The egg white support to achieve sample with shorter reaction time. • Manganese plays a significant role in sensor response. • Nature of the ferrites was affected with increasing annealing temperature.

  18. Structural, dielectric and gas sensing behavior of Mn substituted spinel MFe2O4 (M=Zn, Cu, Ni, and Co) ferrite nanoparticles

    Science.gov (United States)

    Ranjith Kumar, E.; Siva Prasada Reddy, P.; Sarala Devi, G.; Sathiyaraj, S.

    2016-01-01

    Spinel ferrite (MnZnFe2O4, MnCuFe2O4, MnNiFe2O4 and MnCoFe2O4) nanoparticles have been prepared by evaporation method. The annealing temperature plays an important role on changing particle size of the spinel ferrite nanoparticles was found out by X-ray diffraction and transmission electron microscopy. The role of manganese substitution in the spinel ferrite nanoparticles were also analyzed for different annealing temperature. The substitution of Mn also creates a vital change in dielectric properties have been measured in the frequency range of 100 kHz to 5 MHz. These spinel ferrites are decomposed to α-Fe2O3 after annealing above 550 °C in air. Through the characterization of the prepared powder, the effect of annealing temperature, chemical composition and preparation technique on the microstructure, particle size and dielectric properties of the Mn substituted spinel ferrite nanoparticles are discussed. Furthermore, Conductance response of Mn substituted MFe2O4 ferrite nanoparticles were measured by exposing the materials to reducing gas like liquefied petroleum gas (LPG).

  19. Structural consequences of the natural substitution, E9K, on reactive-site-hydrolyzed squash (Cucurbita maxima) trypsin inhibitor (CMTI), as studied by two-dimensional NMR.

    Science.gov (United States)

    Krishnamoorthi, R; Lin, C L; VanderVelde, D

    1992-06-02

    Sequence-specific hydrogen-1 NMR assignments were made to all of the 29 amino acid residues of reactive-site-hydrolyzed Cucurbita maxima trypsin inhibitor I (CMTI-I*) by the application of two-dimensional NMR (2D NMR) techniques, and its secondary structural elements (two tight turns, a 3(10)-helix, and a triple-stranded beta-sheet) were identified on the basis of short-range NOESY cross peaks and deuterium-exchange kinetics. These secondary structural elements are present in the intact inhibitor [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648] and are unaffected by the hydrolysis of the reactive-site peptide bond between Arg5 and Ile6, in accordance with the earlier conclusion reached for CMTI-III* [Krishnamoorthi, R., Gong, Y.-X., Lin, C. S., & VanderVelde, D. (1992) Biochemistry 31, 898-904]. Chemical shifts of backbone hydrogen atoms, peptide NH's, and C alpha H's, of CMTI-I* were compared with those of the intact inhibitor, CMTI-I, and of the reactive-site-hydrolyzed, natural, E9K variant, CMTI-III*. Cleavage of the Arg5-Ile6 peptide bond resulted in changes of chemical shifts of most of the backbone atoms of CMTI-I, in agreement with the earlier results obtained for CMTI-III. Comparison of chemical shifts of backbone hydrogen atoms of CMTI-I* and CMTI-III* revealed no changes, except for residues Glu9 and His25. However, the intact forms of the same two proteins, CMTI-I and CMTI-III, showed small but significant perturbations of chemical shifts of residues that made up the secondary structural elements of the inhibitors.(ABSTRACT TRUNCATED AT 250 WORDS)

  20. Structure and Dynamics of the Metal Site of Cadmium-Substituted Carboxypeptidase A in Solution and Crystalline States and under Steady-State peptide Catalysis

    DEFF Research Database (Denmark)

    Bauer, R.; Danielsen, E.; Hemmingsen, L.

    1997-01-01

    are consistent with an intact scissile peptide bond in the enzyme-substrate complex of Bz-Gly-L-Phe and Bz-Gly-Gly-L-Phe. A single nuclear quadrupole interaction (NQI) is observed for the crystalline state of the enzyme between pH 5.7 and pH 9.4. This NQI agrees with calculations based on the metal coordination...... geometry for cadmium in crystalline CPD derived from X-ray diffraction studies. A single broad distribution of NQIs is observed for CPD in sucrose solutions and 0.1 M NaCl at pH values below 6.5. This NQI (NQI-1') has parameters very close to those for the crystalline state. The enzyme metal site......, characterized by this NQI, is converted into two new enzyme metal sites over the pH range of 6.5-8.3. The metal coordination sphere of one of these has a NQI (NQI-1) with parameters similar to those at lower pH values (NQI-1') while the other NQI (NQI-2) is characterized by markedly different NQI parameters...

  1. The electronic structure of RbTiOPO4 and the effects of the A-site cation substitution in KTiOPO4-family crystals

    Science.gov (United States)

    Atuchin, V. V.; Kesler, V. G.; Meng, Guangsi; Lin, Z. S.

    2012-10-01

    The electronic structure of RbTiOPO4 has been investigated with x-ray photoemission spectroscopy. Detailed photoemission spectra of the element core levels have been recorded under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The chemical bonding parameters are compared to those reported for complex titanates and phosphates. The band structures of KTiOPO4, RbTiOPO4, K0.535R0.465TiOPO4 and TlTiOPO4 have been calculated by ab initio methods and compared to available experimental results. It is found that the band structure of KTP-type phosphate crystals is weakly dependent on the nature of the A-site (A=K, Rb, Tl) element.

  2. The electronic structure of RbTiOPO4 and the effects of the A-site cation substitution in KTiOPO4-family crystals

    International Nuclear Information System (INIS)

    Atuchin, V V; Kesler, V G; Meng, Guangsi; Lin, Z S

    2012-01-01

    The electronic structure of RbTiOPO 4 has been investigated with x-ray photoemission spectroscopy. Detailed photoemission spectra of the element core levels have been recorded under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The chemical bonding parameters are compared to those reported for complex titanates and phosphates. The band structures of KTiOPO 4 , RbTiOPO 4 , K 0.535 R 0.465 TiOPO 4 and TlTiOPO 4 have been calculated by ab initio methods and compared to available experimental results. It is found that the band structure of KTP-type phosphate crystals is weakly dependent on the nature of the A-site (A=K, Rb, Tl) element.

  3. Effect of Fe substitution at the Ni and Mn sites on the magnetic properties of Ni50Mn35In15 Heusler alloys

    International Nuclear Information System (INIS)

    Halder, Madhumita; Suresh, K.G.

    2015-01-01

    The structural and magnetic properties of Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 Heusler alloys have been investigated. At room temperature, Ni 48 Fe 2 Mn 35 In 15 has L2 1 cubic structure, whereas Ni 50 Mn 34 FeIn 15 shows a two-phase structure due to the martensitic transition. In the case of Ni 48 Fe 2 Mn 35 In 15 , there is only one magnetic transition at 316 K with no martensitic transition. However, in Ni 50 Mn 34 FeIn 15 , we observe the martensitic transition at about 280 K. The Curie temperatures for austenite and martensite phases are 314 and 200 K, respectively. The maximum magnetic entropy changes are found to be 5.5 and 4.5 J kg −1 K −1 for Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 , respectively, for 50 kOe. Ni 50 Mn 34 FeIn 15 exhibits exchange bias behavior, with a bias field of 130 Oe at 5 K. Both the alloys satisfy the empirical relation between the martensitic transition and the valence electron concentration (e/a) ratio. - Highlights: • Structural and magnetic properties of Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 Heusler alloys have been investigated. • Ni 48 Fe 2 Mn 35 In 15 does not undergo a martensitic transition, whereas Ni 50 Mn 34 FeIn 15 shows martensitic transition. • Ni 50 Mn 34 FeIn 15 alloy exhibits exchange bias behavior. • Both alloys satisfy the empirical relation between martensitic transition and valence electron concentration (e/a)

  4. Statistical Physics of Complex Substitutive Systems

    Science.gov (United States)

    Jin, Qing

    Diffusion processes are central to human interactions. Despite extensive studies that span multiple disciplines, our knowledge is limited to spreading processes in non-substitutive systems. Yet, a considerable number of ideas, products, and behaviors spread by substitution; to adopt a new one, agents must give up an existing one. This captures the spread of scientific constructs--forcing scientists to choose, for example, a deterministic or probabilistic worldview, as well as the adoption of durable items, such as mobile phones, cars, or homes. In this dissertation, I develop a statistical physics framework to describe, quantify, and understand substitutive systems. By empirically exploring three collected high-resolution datasets pertaining to such systems, I build a mechanistic model describing substitutions, which not only analytically predicts the universal macroscopic phenomenon discovered in the collected datasets, but also accurately captures the trajectories of individual items in a complex substitutive system, demonstrating a high degree of regularity and universality in substitutive systems. I also discuss the origins and insights of the parameters in the substitution model and possible generalization form of the mathematical framework. The systematical study of substitutive systems presented in this dissertation could potentially guide the understanding and prediction of all spreading phenomena driven by substitutions, from electric cars to scientific paradigms, and from renewable energy to new healthy habits.

  5. Conversion of the low affinity ouabain-binding site of non-gastric H,K-ATPase into a high affinity binding site by substitution of only five amino acids.

    NARCIS (Netherlands)

    Qiu, L.Y.; Swarts, H.G.P.; Tonk, E.C.; Willems, P.H.G.M.; Koenderink, J.B.; Pont, J.J.H.H.M. de

    2006-01-01

    P-type ATPases of the IIC subfamily exhibit large differences in sensitivity toward ouabain. This allows a strategy in which ouabain-insensitive members of this subfamily are used as template for mutational elucidation of the ouabain-binding site. With this strategy, we recently identified seven

  6. Ensuring treatment fidelity in a multi-site behavioral intervention study: implementing NIH Behavior Change Consortium recommendations in the SMART trial.

    Science.gov (United States)

    Robb, Sheri L; Burns, Debra S; Docherty, Sharron L; Haase, Joan E

    2011-11-01

    The Stories and Music for Adolescent/Young Adult Resilience during Transplant (SMART) study (R01NR008583; U10CA098543; U10CA095861) is an ongoing multi-site Children's Oncology Group randomized clinical trial testing the efficacy of a therapeutic music video intervention for adolescents/young adults (11-24 years of age) with cancer undergoing stem cell transplant. Treatment fidelity strategies from our trial are consistent with the National Institutes of Health (NIH) Behavior Change Consortium Treatment Fidelity Workgroup (BCC) recommendations and provide a successful working model for treatment fidelity implementation in a large, multi-site behavioral intervention study. In this paper, we summarize 20 specific treatment fidelity strategies used in the SMART trial and how these strategies correspond with NIH BCC recommendations in five specific areas: (1) study design, (2) training providers, (3) delivery of treatment, (4) receipt of treatment, and (5) enactment of treatment skills. Increased use and reporting of treatment fidelity procedures is essential in advancing the reliability and validity of behavioral intervention research. The SMART trial provides a strong model for the application of fidelity strategies to improve scientific findings and addresses the absence of published literature, illustrating the application of BCC recommendations in behavioral intervention studies. Copyright © 2010 John Wiley & Sons, Ltd.

  7. Study on transition behavior of corrosion related environment near disposal site

    International Nuclear Information System (INIS)

    Masuda, K.; Nakanishi, T.; Kato, O.; Wada, R.

    2005-01-01

    Full text of publication follows: Disposal vessels are desired to stand for a certain period of time to stabilize radioactive wastes containing heat-generating substances. Besides, in case of wastes containing irradiated metal, which is a source of long-lived 14 C, long-term capability to enclose such long-life species is desired to the vessels. Since endurance of vessels is very affected by surrounding environment, evaluation of long-term environmental transition is important. In this study, we focused on the behavior of red-ox conditions and pH by reactive transport modeling in order to obtain fundamental knowledge about long-term transition of corrosion-related environment around metal vessels or metal-containing radioactive wastes. A two-dimensional reactive transport simulation was applied to a modeled repository site with engineering barrier system including cement and bentonite, etc., in consideration of following chemical models: - The metal corrosion rate was modeled to consider its effect on red-ox conditions. - The corrosion rate of carbon steel was modeled as kinetic reaction rate of production of ferrous ion and electrons as a function of pH and oxygen concentration, based on the experimental results observed under highly-controlled reducing conditions (1). - Formation of corrosion products was modeled by solubility products of iron oxides, such as magnetite, according to analytical results by in-situ XPS (2). - Cement composition and its reaction with groundwater were modeled by chemical equilibrium of primary and secondary minerals, for example, calcium silicates with several C/S ratios to consider the long-term transition of pH with cement degradations. According to the simulation results, the variation of red-ox conditions and pH around the disposal vessels has been estimated. Main component of cement composition slowly changes to calcium silicate having lower C/S ratios, resulting in decrease of pH. Although it depends on the bentonite efficiency

  8. Mechanical behavior in the Nankai inner accretionary prism, IODP Site C0002

    Science.gov (United States)

    Valdez, R. D., II; Saffer, D. M.

    2017-12-01

    Understanding the processes that control seismogenesis and stress state at subduction zones requires knowledge of fault zone and sediment physical and mechanical properties. As part of the International Ocean Discovery Program (IODP) Nankai Trough Seismogenic Zone Experiment (NanTroSEIZE), Expedition 348 drilled into the Kumano forearc basin and underlying inner accretionary prism at Site C0002, located 35 km landward of the trench. One primary objective was to sample and characterize the mechanical behavior of the inner accretionary prism. Here we report on the frictional and unconfined compressive strength (UCS) of mudstone samples and a clay-rich shear zone recovered from 2182-2209 meters below sea floor (mbsf), determined from triaxial deformation tests at confining pressures from 1 to 7 MPa (UCS measurements on mudstones) and 36 MPa (strength of fault zone). Our results show that at a confining pressure of 1 MPa, the wall rock sediments fail at a peak differential stress of 9.1 MPa with a residual stress of 2.8 MPa. A clear peak and evolution to residual strength remains present at 7 MPa, and both the peak and residual strengths of the mudstones increases systematically with confining pressure. At a confining pressure of 36 MPa, the shear zone sediment yields at a differential stress of 25.2 MPa followed by strain-hardening to a maximum stress of 33.1 MPa. The shear zone is frictionally weaker than the surrounding mudstones, with a friction coefficient (μ) of 0.26-0.31, versus µ = 0.45 for the wall rock. The suite of tests defines a UCS for the mudstone of 7.9 MPa. Our friction data suggest that the inner wedge may be weaker than commonly assumed in applications of critical wedge theory to estimate the properties and conditions in accretionary prisms. One key implication is that for a given basal detachment friction coefficient, higher basal pore pressures (or lower wedge pore pressures) would be required to sustain observed taper angles. Additionally, the

  9. Subsurface Behavior of Plutonium and Americium at Non-Hanford Sites and Relevance to Hanford

    Energy Technology Data Exchange (ETDEWEB)

    Cantrell, Kirk J.; Riley, Robert G.

    2008-02-01

    Seven sites where Pu release to the environment has raised significant environmental concerns have been reviewed. A summary of the most significant hydrologic and geochemical features, contaminant release events and transport processes relevant to Pu migration at the seven sites is presented.

  10. Verification of Social Network Site Use Behavior of the University Physical Education Students

    Science.gov (United States)

    Liu, Li-Wei; Chang, Chia-Ming; Huang, Hsiu-Chin; Chang, Yu-Liang

    2016-01-01

    This study aims to explore the relationships among performance expectancy, effort expectancy, social influence, facilitating condition, behavioral intention and use behavior of university physical education students in Taiwan. Moreover, it also intends to examine the moderating effects of gender, age, and experience on the UTAUT model. The targets…

  11. Effect of B-site substitution of complex ions on dielectric and piezoelectric properties in (Bi1/2Na1/2)TiO3 piezoelectric ceramics

    International Nuclear Information System (INIS)

    Zhou Changrong; Liu Xinyu

    2008-01-01

    The effect of B-site substitution of complex ions on dielectric and piezoelectric properties in (Bi 1/2 Na 1/2 )Ti 1-x (Zn 1/3 Nb 2/3 ) x O 3 (BNTZN-100x) lead-free piezoelectric ceramics was investigated. X-ray diffraction analysis shows that the materials are mono-perovskite phase. The morphotropic phase boundary (MPB) of BNTZN-100x ceramics between rhombohedral and tetragonal locates in the range of 0.5% ≤ x ≤ 2.0%. Temperature dependence of dielectric constant shows that these compounds are relaxor ferroelectrics. The compositions near the MPB exhibit relatively high piezoelectric properties. The piezoelectric constant (d 33 ) and the electromechanical coupling factor (k t ) show the maximum values of d 33 = 97 pC N -1 and k t = 0.46 at x = 2.0% and x = 1.0%, respectively. The BNTZN-100x ceramics are good candidate for use as ultrasonic transducer ceramics for high anisotropic with high k t value and low k p value

  12. Do You Have Anything to Hide? Infidelity-Related Behaviors on Social Media Sites and Marital Satisfaction.

    Science.gov (United States)

    McDaniel, Brandon T; Drouin, Michelle; Cravens, Jaclyn D

    2017-01-01

    Social media provides one route to behaviors that may be potentially harmful to romantic relationships, such as communicating with alternative partners, which can sometimes create relationship conflict, breakups, or divorce. Limited empirical evidence exists concerning social media infidelity-related behaviors and marital relationships. This study examined whether married/cohabiting individuals are using social media sites to engage in online infidelity-related behaviors and to what extent this related to relationship satisfaction, ambivalence, and relational attachment characteristics as reported by 338 married/cohabiting individuals from 176 families. Only a small percentage of married/cohabiting couples reported engaging in social media infidelity-related behaviors; however, more engagement in infidelity-related behaviors on social media was significantly related to lower relationship satisfaction, higher relationship ambivalence, and greater attachment avoidance and anxiety in both women and men. Additionally, attachment anxiety and gender interacted with relationship satisfaction in predicting online infidelity-related behaviors when controlling for other variables. Implications are discussed.

  13. Currency Substitution and Inflation in Peru

    OpenAIRE

    Liliana Rojas-Suárez

    1992-01-01

    This paper shows that there is a long-run relationship between the expected rate of depreciation in the black-market-exchange rate and the ratio of domestic to foreign money in Peru; that is, the hypothesis of currency substitution can explain the behavior of real holdings of money in Peru. The paper also shows that, while the importance of currency substitution as a transmission mechanism through which domestic policies affected the dynamics of inflation was relatively small during a period ...

  14. Political campaigning 2.0: The influence of online news and social networking sites on attitudes and behavior

    Directory of Open Access Journals (Sweden)

    Montathar Faraon

    2014-11-01

    Full Text Available This study aimed to examine differences in influence between online news (e.g., New York Times and social networking sites (e.g., Facebook and Twitter on attitudes in political campaigns. In a web-based experiment, campaign, polls and election between two fictitious candidates were simulated. Participants’ explicit and implicit attitudes as well as voting behavior were assessed using self-report items and the Implicit Association Test (IAT. The results reveal that information emanating from online news had a significant influence on explicit and implicit attitudes while that of social networking sites did not. Overall, negative items had a stronger impact than positive ones, more so in online news compared to social networking sites. Negative information from either type of media was more likely to change participants’ explicit attitudes in a negative direction and as a consequence also change their vote. Practical implications of the findings and limitations of the study are discussed.

  15. A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior.

    Science.gov (United States)

    Kromann-Hansen, Tobias; Oldenburg, Emil; Yung, Kristen Wing Yu; Ghassabeh, Gholamreza H; Muyldermans, Serge; Declerck, Paul J; Huang, Mingdong; Andreasen, Peter A; Ngo, Jacky Chi Ki

    2016-07-15

    A peptide segment that binds the active site of a serine protease in a substrate-like manner may behave like an inhibitor or a substrate. However, there is sparse information on which factors determine the behavior a particular peptide segment will exhibit. Here, we describe the first x-ray crystal structure of a nanobody in complex with a serine protease. The nanobody displays a new type of interaction between an antibody and a serine protease as it inserts its complementary determining region-H3 loop into the active site of the protease in a substrate-like manner. The unique binding mechanism causes the nanobody to behave as a strong inhibitor as well as a poor substrate. Intriguingly, its substrate behavior is incomplete, as 30-40% of the nanobody remained intact and inhibitory after prolonged incubation with the protease. Biochemical analysis reveals that an intra-loop interaction network within the complementary determining region-H3 of the nanobody balances its inhibitor versus substrate behavior. Collectively, our results unveil molecular factors, which may be a general mechanism to determine the substrate versus inhibitor behavior of other protease inhibitors. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  16. A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior*

    Science.gov (United States)

    Kromann-Hansen, Tobias; Oldenburg, Emil; Yung, Kristen Wing Yu; Ghassabeh, Gholamreza H.; Muyldermans, Serge; Declerck, Paul J.; Huang, Mingdong; Andreasen, Peter A.; Ngo, Jacky Chi Ki

    2016-01-01

    A peptide segment that binds the active site of a serine protease in a substrate-like manner may behave like an inhibitor or a substrate. However, there is sparse information on which factors determine the behavior a particular peptide segment will exhibit. Here, we describe the first x-ray crystal structure of a nanobody in complex with a serine protease. The nanobody displays a new type of interaction between an antibody and a serine protease as it inserts its complementary determining region-H3 loop into the active site of the protease in a substrate-like manner. The unique binding mechanism causes the nanobody to behave as a strong inhibitor as well as a poor substrate. Intriguingly, its substrate behavior is incomplete, as 30–40% of the nanobody remained intact and inhibitory after prolonged incubation with the protease. Biochemical analysis reveals that an intra-loop interaction network within the complementary determining region-H3 of the nanobody balances its inhibitor versus substrate behavior. Collectively, our results unveil molecular factors, which may be a general mechanism to determine the substrate versus inhibitor behavior of other protease inhibitors. PMID:27226628

  17. Enantioseparation of angiotensin II receptor type 1 blockers: evaluation of 6-substituted carbamoyl benzimidazoles on immobilized polysaccharide-based chiral stationary phases. Unusual temperature behavior.

    Science.gov (United States)

    Su, Ran; Hou, Zhun; Sang, Lihong; Zhou, Zhi-Ming; Fang, Hao; Yang, Xinying

    2017-09-15

    Enantioseparation of thirteen 6-substituted carbamoyl benzimidazoles by high-performance liquid chromatography (HPLC) was investigated using two immobilized polysaccharide-based chiral stationary phases (CSPs), Chiralpak IC and Chiralpak IA, in normal-phase mode. Most of the examined compounds were completely resolved. The effects of a polar alcohol modifier, analyte structure, and column temperature on the chiral recognition were investigated. Furthermore, the structure-retention relationship was evaluated, and thermodynamic parameters were calculated from plots of ln k' or ln α versus 1/T. The thermodynamic parameters indicated that the separations were enthalpy-driven. Moreover, nonlinear van't Hoff plots were obtained on Chiralpak IA. However, two unusual phenomena were observed: (1) an unusual increase in retention with increasing temperature with linear van't Hoff plots on Chiralpak IC and (2) an extremely high T iso value (i.e., several thousand degrees centigrade). Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Medicineringsfejl ved generisk substitution

    DEFF Research Database (Denmark)

    Rölfing, Jan

    2012-01-01

    Generic substitution is a major cause of medical mistakes in the general population. Danish legislation obligates pharmacies to substitute prescribed medicine with the cheapest equivalent formulation, despite variations in product name, packaging, shape and colour. Consequently, medical mistakes...... occur. Scientific evidence on the consequences of generic substitution is sparse. Call upon fellow health workers to report medical mistakes to the national entities and scientific peers, in order to increase awareness and scientific evidence about the problem....

  19. Social networking sites as business tool: a study of user behavior

    NARCIS (Netherlands)

    Constantinides, Efthymios; Lorenzo-Romero, C.; Alarcon-del-Amo, M.d.C.; Glykas, M.

    2013-01-01

    Social Networking Sites (SNS) are second generation web applications allowing the creation of personal online networks; the social networking domain has become one of the fastest growing online environments connecting hundreds of millions of people worldwide. Businesses are increasingly interested

  20. Bone healing and bone substitutes.

    Science.gov (United States)

    Costantino, Peter D; Hiltzik, David; Govindaraj, Satish; Moche, Jason

    2002-02-01

    With the advent of new biomaterials and surgical techniques, the reconstructive surgeon has a wider range of treatment modalities for the rehabilitation and reconstruction of craniofacial skeletal deformities than ever before. These innovative substances act as true bone graft substitutes, thereby allowing the surgeon to avoid the use of autogenous bone grafts and their associated donor site morbidity. Surgeons have long been interested in producing a composite graft that can heal faster by induction, incorporate with surrounding tissues, and be remodeled to resemble native bone. Currently, there are a host of bone graft substitutes available that vary in both their composition and properties. Craniomaxillofacial surgeons must therefore become comfortable with numerous biomaterials to best tailor the treatment for each patient individually. Ongoing investigations into the next phase of tissue engineering will continue to bring us closer to the ability to regenerate or replace bone.

  1. Effects of irritant chemicals on Aedes aegypti resting behavior: is there a simple shift to untreated "safe sites"?

    Directory of Open Access Journals (Sweden)

    Hortance Manda

    2011-07-01

    Full Text Available BACKGROUND: Previous studies have identified the behavioral responses of Aedes aegypti to irritant and repellent chemicals that can be exploited to reduce man-vector contact. Maximum efficacy of interventions based on irritant chemical actions will, however, require full knowledge of variables that influence vector resting behavior and how untreated "safe sites" contribute to overall impact. METHODS: Using a laboratory box assay, resting patterns of two population strains of female Ae. aegypti (THAI and PERU were evaluated against two material types (cotton and polyester at various dark:light surface area coverage (SAC ratio and contrast configuration (horizontal and vertical under chemical-free and treated conditions. Chemicals evaluated were alphacypermethrin and DDT at varying concentrations. RESULTS: Under chemical-free conditions, dark material had significantly higher resting counts compared to light material at all SAC, and significantly increased when material was in horizontal configuration. Cotton elicited stronger response than polyester. Within the treatment assays, significantly higher resting counts were observed on chemical-treated dark material compared to untreated light fabric. However, compared to matched controls, significantly less resting observations were made on chemical-treated dark material overall. Most importantly, resting observations on untreated light material (or "safe sites" in the treatment assay did not significantly increase for many of the tests, even at 25% SAC. Knockdown rates were ≤5% for all assays. Significantly more observations of flying mosquitoes were made in test assays under chemical-treatment conditions as compared to controls. CONCLUSIONS/SIGNIFICANCE: When preferred Ae. aegypti resting sites are treated with chemicals, even at reduced treatment coverage area, mosquitoes do not simply move to safe sites (untreated areas following contact with the treated material. Instead, they become agitated

  2. Minimizing the cost of translocation failure with decision-tree models that predict species' behavioral response in translocation sites.

    Science.gov (United States)

    Ebrahimi, Mehregan; Ebrahimie, Esmaeil; Bull, C Michael

    2015-08-01

    The high number of failures is one reason why translocation is often not recommended. Considering how behavior changes during translocations may improve translocation success. To derive decision-tree models for species' translocation, we used data on the short-term responses of an endangered Australian skink in 5 simulated translocations with different release conditions. We used 4 different decision-tree algorithms (decision tree, decision-tree parallel, decision stump, and random forest) with 4 different criteria (gain ratio, information gain, gini index, and accuracy) to investigate how environmental and behavioral parameters may affect the success of a translocation. We assumed behavioral changes that increased dispersal away from a release site would reduce translocation success. The trees became more complex when we included all behavioral parameters as attributes, but these trees yielded more detailed information about why and how dispersal occurred. According to these complex trees, there were positive associations between some behavioral parameters, such as fight and dispersal, that showed there was a higher chance, for example, of dispersal among lizards that fought than among those that did not fight. Decision trees based on parameters related to release conditions were easier to understand and could be used by managers to make translocation decisions under different circumstances. © 2015 Society for Conservation Biology.

  3. Stone tool function at the paleolithic sites of Starosele and Buran Kaya III, Crimea: behavioral implications.

    Science.gov (United States)

    Hardy, B L; Kay, M; Marks, A E; Monigal, K

    2001-09-11

    Stone tools are often the most abundant type of cultural remains at Paleolithic sites, yet their function is often poorly understood. Investigations of stone tool function, including microscopic use-wear and residue analyses, were performed on a sample of artifacts from the Paleolithic sites of Starosele (40,000-80,000 years BP) and Buran Kaya III (32,000-37,000 years BP). The Middle Paleolithic levels at Starosele exhibit a typical variant of the local Micoquian Industry. The artifacts from Buran Kaya III most closely resemble an Early Streletskayan Industry associated with the early Upper Paleolithic. The results of the functional analyses suggest that hominids at both sites were exploiting woody and starchy plant material as well as birds and mammals. Both sites show evidence of hafting of a wide variety of tools and the possible use of projectile or thrusting spears. These analyses were performed by using two different techniques conducted by independent researchers. Combined residue and use-wear analyses suggest that both the Upper Paleolithic and Middle Paleolithic hominids at these sites were broad-based foragers capable of exploiting a wide range of resources.

  4. The influence of social networking sites on health behavior change: a systematic review and meta-analysis

    Science.gov (United States)

    Laranjo, Liliana; Arguel, Amaël; Neves, Ana L; Gallagher, Aideen M; Kaplan, Ruth; Mortimer, Nathan; Mendes, Guilherme A; Lau, Annie Y S

    2015-01-01

    Objective Our aim was to evaluate the use and effectiveness of interventions using social networking sites (SNSs) to change health behaviors. Materials and methods Five databases were scanned using a predefined search strategy. Studies were included if they focused on patients/consumers, involved an SNS intervention, had an outcome related to health behavior change, and were prospective. Studies were screened by independent investigators, and assessed using Cochrane's ‘risk of bias’ tool. Randomized controlled trials were pooled in a meta-analysis. Results The database search retrieved 4656 citations; 12 studies (7411 participants) met the inclusion criteria. Facebook was the most utilized SNS, followed by health-specific SNSs, and Twitter. Eight randomized controlled trials were combined in a meta-analysis. A positive effect of SNS interventions on health behavior outcomes was found (Hedges’ g 0.24; 95% CI 0.04 to 0.43). There was considerable heterogeneity (I2 = 84.0%; T2 = 0.058) and no evidence of publication bias. Discussion To the best of our knowledge, this is the first meta-analysis evaluating the effectiveness of SNS interventions in changing health-related behaviors. Most studies evaluated multi-component interventions, posing problems in isolating the specific effect of the SNS. Health behavior change theories were seldom mentioned in the included articles, but two particularly innovative studies used ‘network alteration’, showing a positive effect. Overall, SNS interventions appeared to be effective in promoting changes in health-related behaviors, and further research regarding the application of these promising tools is warranted. Conclusions Our study showed a positive effect of SNS interventions on health behavior-related outcomes, but there was considerable heterogeneity. Protocol registration The protocol for this systematic review is registered at http://www.crd.york.ac.uk/PROSPERO with the number CRD42013004140. PMID:25005606

  5. Lower critical solution temperature behavior of alpha-substituted poly(acrylic acids)s, cyclopolymerization of N-vinylformamido-methylacrylates, and use of the World-Wide Web in polymer science education

    Science.gov (United States)

    Michalovic, Mark Stephen

    A series of alpha-substituted poly(acrylic acid)s was synthesized and characterized. Their aqueous solution properties were investigated with respect to lower critical solution temperature (LCST) behavior. Poly(alpha-methoxymethylacrylic acid) was found to have a lower critical solution temperature (LCST) of 46°C, poly(alpha-methoxyethoxymethylacrylic acid) showed an LCST of 26.5°C and poly(alpha-methoxyethoxyethoxymethylacrylic acid) showed an LCST of 66°C. The cloud points of the solutions of these polymers were found to be sensitive to pH, and to concentrations of additives such as urea, salts, and surfactants. Because of low molecular weight due to chain transfer, high molecular weight analogs of the ether-linked polymers were synthesized in which ester linkages joined the oligo-oxyethylene segment to the acrylate moiety. Poly(alpha-methoxyethoxyacetoxymethylacrylic acid) was the only one of this series to give an LCST with a value of 52.5°C. Copolymers of t-butyl alpha-methoxymethylacrylate (tBMMA) with alpha-(1H,1H- perfluorooctyloxymethyl)acrylic acid (PFOMA) were synthesized, deprotected and their lower critical solution temperatures (LCSTs) evaluated. At PFOMA feed ratios of 0.25 mol % or less, no observable change in the LCST was observed, while at PFOMA feed ratios of above 0.25 mol % to 1.125 mol %, a large linear decrease in the LCST was observed with increasing fluorocarbon content. t-Butyl alpha-(N-vinylformamidomethyl)acrylate (tBVFA) and ethyl alpha-(N-vinylformamidomethyl)acrylate (EVFA) were synthesized from t-butyl alpha-bromomethylacrylate and ethyl alpha-chloromethylacrylate, respectively. tBVFA was found to cyclopolymerize at 120°C in DMF, DMSO, and 1,2-dichlorobenzene at solvent:monomer ratios of 10:1 vol:wt. Molecular weights for poly(tBVFA) ranged from 10,000 to 13,000 as estimated by size-exclusion chromatography. At lower solvent monomer ratio (1:1), and at lower temperature (71°C), crosslinking occurred. EVFA was found to

  6. Crystalline behaviour and electrical properties of manganese perovskites substituted on A or B sites: ErMnO3 modified by Ca and EuMnO3 modified by Co

    Directory of Open Access Journals (Sweden)

    Tartaj, J.

    2010-06-01

    Full Text Available The structural and electrical features of the manganites solid solutions (Er,CaMnO3 and Eu(Co,MnO3, have been studied by X-ray diffraction and conductivity measurements. Powders were prepared by solid-state reaction between the component oxides and Calcium carbonate. Incorporation of Co2+ on the lattice in the B sites or the Ca2+ on the A sites leads to changes in the parameters and symmetry of the perovskite compound EuMnO3 and hexagonal ErMnO3 respectively. The phase transition depends on the amount of substituted Jahn-Teller Mn3+ cations. Solid solutions based on Eu(Mn,CoO3 perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn3+ cation amount decreases, because of the progressive substitution by Co. This transition occurs for an amount of Co2+ as low as ~10 at% Co2+ cation. The (Er,CaMnO3 based solid solutions showed a different behaviour. From x=0.25 there is a change in the symmetry of the solid solution from hexagonal to orthorhombic, O’-type perovskite. Steric influence seems to play a secondary role on the lattice distortion of manganites. Sintered samples of the perovskite solid solutions were measured for establishing their electrical properties. All the samples showed semiconducting behaviour.

    Las características estructurales y eléctricas de las soluciones sólidas de manganitas (Er,CaMnO3 y Eu(Co,MnO3, han sido estudiadas por difracción de rayos X y medidas de la conductividad en continua. Los polvos fueron preparados por reacción en estado sólido entre los óxidos componentes y carbonato de calcio. La incorporación de Co2+ en la red en los sitios B o de Ca2+ en los sitios A conduce a cambios en los parámetros y la simetría de EuMnO3 perovskita y ErMnO3 hexagonal, respectivamente

  7. Commercial WWW Site Appeal: How Does It Affect Online Food and Drink Consumers' Purchasing Behavior?

    Science.gov (United States)

    White, Gregory K.; Manning, Barbara J.

    1998-01-01

    Reports on an online survey of consumer attitudes toward online storefronts marketing barbecue sauce, cheese, olive oil, potato chips, and other specialty food products. The relationship between consumer attitudes toward Web sites and the likelihood of purchase, as well as demographic factors related to online food and drink buying, are described.…

  8. Baseline avian use and behavior at the CARES wind plant site, Klickitat County, Washington

    Energy Technology Data Exchange (ETDEWEB)

    Erickson, W.P.; Johnson, G.D.; Strickland, M.D.; Kronner, K.; Becker, P.S.; Orloff, S.

    2000-01-03

    This report presents a literature review on avian-wind turbine interactions and the results of a one-year avian baseline study conducted in 1998 at the proposed Conservation and Renewable Energy System (CARES) wind development site in Klickitat County, Washington. Avian use of the site ranged from 1.11/survey in the winter to 5.69/survey in the spring. Average use by passerines in the study plots ranged from 1.15 minutes/survey in the winter to 40.98 minutes/survey in the spring. Raptors spent much less time within plots than other groups, ranging from 0.05 minutes/survey in the winter to 0.77 minutes/survey during the fall. Thirteen percent of all flying birds were within the rotor-swept height (25 to 75 m); 41.6% of all raptors were flying at this height. Raptors with the greatest potential turbine exposure are red-tailed hawks and golden eagles. Passerines with the highest turbine exposure are common ravens, American robins, and horned larks. Spatial use data for the site indicate that avian use tends to be concentrated near the rim, indicating that placing turbines away from the rim may reduce risk. Avian use data at the CARES site indicate that if a wind plant is constructed in the future, avian mortality would likely be relatively low.

  9. Baseline avian use and behavior at the CARES wind plant site, Klickitat County, Washington

    International Nuclear Information System (INIS)

    Erickson, W.P.; Johnson, G.D.; Strickland, M.D.; Kronner, K.; Becker, P.S.; Orloff, S.

    2000-01-01

    This report presents a literature review on avian-wind turbine interactions and the results of a one-year avian baseline study conducted in 1998 at the proposed Conservation and Renewable Energy System (CARES) wind development site in Klickitat County, Washington. Avian use of the site ranged from 1.11/survey in the winter to 5.69/survey in the spring. Average use by passerines in the study plots ranged from 1.15 minutes/survey in the winter to 40.98 minutes/survey in the spring. Raptors spent much less time within plots than other groups, ranging from 0.05 minutes/survey in the winter to 0.77 minutes/survey during the fall. Thirteen percent of all flying birds were within the rotor-swept height (25 to 75 m); 41.6% of all raptors were flying at this height. Raptors with the greatest potential turbine exposure are red-tailed hawks and golden eagles. Passerines with the highest turbine exposure are common ravens, American robins, and horned larks. Spatial use data for the site indicate that avian use tends to be concentrated near the rim, indicating that placing turbines away from the rim may reduce risk. Avian use data at the CARES site indicate that if a wind plant is constructed in the future, avian mortality would likely be relatively low

  10. The Impact of Transformational Leadership on Safety Climate and Individual Safety Behavior on Construction Sites

    Directory of Open Access Journals (Sweden)

    Yuzhong Shen

    2017-01-01

    Full Text Available Unsafe acts contribute dominantly to construction accidents, and increasing safety behavior is essential to reduce accidents. Previous research conceptualized safety behavior as an interaction between proximal individual differences (safety knowledge and safety motivation and distal contextual factors (leadership and safety climate. However, relatively little empirical research has examined this conceptualization in the construction sector. Given the cultural background of the sample, this study makes a slight modification to the conceptualization and views transformational leadership as an antecedent of safety climate. Accordingly, this study establishes a multiple mediator model showing the mechanisms through which transformational leadership translates into safety behavior. The multiple mediator model is estimated by the structural equation modeling (SEM technique, using individual questionnaire responses from a random sample of construction personnel based in Hong Kong. As hypothesized, transformational leadership has a significant impact on safety climate which is mediated by safety-specific leader–member exchange (LMX, and safety climate in turn impacts safety behavior through safety knowledge. The results suggest that future safety climate interventions should be more effective if supervisors exhibit transformational leadership, encourage construction personnel to voice safety concerns without fear of retaliation, and repeatedly remind them about safety on the job.

  11. The Impact of Transformational Leadership on Safety Climate and Individual Safety Behavior on Construction Sites.

    Science.gov (United States)

    Shen, Yuzhong; Ju, Chuanjing; Koh, Tas Yong; Rowlinson, Steve; Bridge, Adrian J

    2017-01-05

    Unsafe acts contribute dominantly to construction accidents, and increasing safety behavior is essential to reduce accidents. Previous research conceptualized safety behavior as an interaction between proximal individual differences (safety knowledge and safety motivation) and distal contextual factors (leadership and safety climate). However, relatively little empirical research has examined this conceptualization in the construction sector. Given the cultural background of the sample, this study makes a slight modification to the conceptualization and views transformational leadership as an antecedent of safety climate. Accordingly, this study establishes a multiple mediator model showing the mechanisms through which transformational leadership translates into safety behavior. The multiple mediator model is estimated by the structural equation modeling (SEM) technique, using individual questionnaire responses from a random sample of construction personnel based in Hong Kong. As hypothesized, transformational leadership has a significant impact on safety climate which is mediated by safety-specific leader-member exchange (LMX), and safety climate in turn impacts safety behavior through safety knowledge. The results suggest that future safety climate interventions should be more effective if supervisors exhibit transformational leadership, encourage construction personnel to voice safety concerns without fear of retaliation, and repeatedly remind them about safety on the job.

  12. The Impact of Transformational Leadership on Safety Climate and Individual Safety Behavior on Construction Sites

    Science.gov (United States)

    Shen, Yuzhong; Ju, Chuanjing; Koh, Tas Yong; Rowlinson, Steve; Bridge, Adrian J.

    2017-01-01

    Unsafe acts contribute dominantly to construction accidents, and increasing safety behavior is essential to reduce accidents. Previous research conceptualized safety behavior as an interaction between proximal individual differences (safety knowledge and safety motivation) and distal contextual factors (leadership and safety climate). However, relatively little empirical research has examined this conceptualization in the construction sector. Given the cultural background of the sample, this study makes a slight modification to the conceptualization and views transformational leadership as an antecedent of safety climate. Accordingly, this study establishes a multiple mediator model showing the mechanisms through which transformational leadership translates into safety behavior. The multiple mediator model is estimated by the structural equation modeling (SEM) technique, using individual questionnaire responses from a random sample of construction personnel based in Hong Kong. As hypothesized, transformational leadership has a significant impact on safety climate which is mediated by safety-specific leader–member exchange (LMX), and safety climate in turn impacts safety behavior through safety knowledge. The results suggest that future safety climate interventions should be more effective if supervisors exhibit transformational leadership, encourage construction personnel to voice safety concerns without fear of retaliation, and repeatedly remind them about safety on the job. PMID:28067775

  13. Increased 3H-spiperone binding sites in mesolimbic area related to methamphetamine-induced behavioral hypersensitivity

    International Nuclear Information System (INIS)

    Akiyama, K.; Sato, M.; Otsuki, S.

    1982-01-01

    The specific 3 H-spiperone binding to membrane homogenates of the striatum, mesolimbic area, and frontal cortex was examined in two groups of rats pretreated once daily with saline or 4 mg/kg of methamphetamine (MAP) for 14 days. At 7 days following cessation of chronic pretreatment, all rats received an injection of 4 mg/kg of MAP and were decapitated 1 hr after the injection. In the chronic saline-pretreatment group, the single administration of MAP induced significant changes in the number (Bmax) of specific 3 H-spiperone binding sites (a decrease in the striatum and an increase in the mesolimbic area and frontal cortex), but no significant changes in the affinity (KD) in any brain area. The chronic MAP pretreatment markedly augmented the changes in Bmax in the striatum and mesolimbic area. The increase in specific 3 H-spiperone binding sites in the mesolimbic area is discussed in relation to MAP-induced behavioral hypersensitivity

  14. Field testing of behavioral barriers for cooling water intake structures -test site 1 - Pickering Nuclear Generating Station

    International Nuclear Information System (INIS)

    Patrick, P.H.; McKinley, R.S.; Micheletti, W.C.

    1988-01-01

    A multi-year research program was developed by the Electric Power Research Institute to evaluate the effectiveness of selected behavioral systems for fish exclusion at sites representative of different aquatic environments. The first test site was the Pickering Nuclear Generating Station (NGS) located on Lake Ontario which represented the Great Lakes environment. A single pneumatic popper, a low frequency, high amplitude sound deterrent, was found to effectively exclude adult alewife, the principal species impinged at Pickering NGS. An air bubble curtain, used either alone or combined with strobe lights, was not a consistent deterrent. Effectiveness of air bubbles was only enhanced when used in association with a popper. Strobe lights were the least effective of the three devices tested. Operation of all three devices together did not surpass the effectiveness of the popper when used alone. Sound deterrents show promise for fish exclusion at generating stations located on the Great Lakes

  15. Principles and strategies for monitoring data collection integrity in a multi-site randomized clinical trial of a behavioral intervention.

    Science.gov (United States)

    Phillips-Salimi, Celeste R; Donovan Stickler, Molly A; Stegenga, Kristin; Lee, Melissa; Haase, Joan E

    2011-08-01

    Although treatment fidelity strategies for enhancing the integrity of behavioral interventions have been well described, little has been written about monitoring data collection integrity. This article describes the principles and strategies developed to monitor data collection integrity of the "Stories and Music for Adolescent/Young Adult Resilience During Transplant" study (R01NR008583, U10CA098543, and U10CA095861)-a multi-site Children's Oncology Group randomized clinical trial of a music therapy intervention for adolescents and young adults undergoing stem cell transplant. The principles and strategies outlined in this article provide one model for development and evaluation of a data collection integrity monitoring plan for behavioral interventions that may be adapted by investigators and may be useful to funding agencies and grant application reviewers in evaluating proposals. Copyright © 2011 Wiley Periodicals, Inc.

  16. The Effect of 24c-Site (A) Cation Substitution on the Tetragonal-Cubic Phase Transition in Li7-xLa3-xAxZr2O12 Garnet-Based Ceramic Electrolyte

    Science.gov (United States)

    2013-01-01

    with Al [16,20]. In KrogereVink notation, the relationships for Ta and Nb substitution for Zr are as follows [20,22,23]: Ta$ Zr ¼ V0Li (3) Nb ...garnet phase. < CeO2 precipitation at grain boundaries increases grain boundary resistance . < Super-valent cation substitution likely stabilizes the...Introduction Li-ion batteries have played a vital role in the development of current generation mobile devices, microelectronics and electric vehicles [1]. Due

  17. [The substitution effect of leadership substitutes for transformational leadership in nursing organization].

    Science.gov (United States)

    Kim, Jeong-Hee

    2006-04-01

    This paper was conducted to examine the effects of transformational leadership behaviors, within the substitutes for leadership model (Kerr & Jermier, 1978). Data was collected from 181 staff nurses in 3 general hospitals, with self-reporting questionnaires (MLQ developed by Bass, rd-SLS developed by Podsakoff, et al., and MSQ developed by Weiss, et al.). Descriptive statistics, factor analysis, Cronbach's alpha and moderated regression analysis were used. 1) The transformational leader behaviors and substitutes for leadership each had correlations with job satisfaction. 2) The total amount of variance accounted for by the substitutes for leadership was substantially greater than by the transformational leadership behaviors. 3) Few of the substitutes variables moderated the relationships between the transformational leader behaviors and job satisfaction in a manner consistent with that specified by Howell, Dorfman, and Kerr (1986). The finding of this study suggest that leaders need to have a better understanding of those contextual variables that influence job satisfaction. Thus future research should focus attention on the moderating effects of substitutes, as well as the things that leaders can do to influence them. In addition, it may be good to examine the effects of substitutes on other criterion variables.

  18. Excessive Time on Social Networking Sites and Disordered Eating Behaviors Among Undergraduate Students: Appearance and Weight Esteem as Mediating Pathways.

    Science.gov (United States)

    Murray, Marisa; Maras, Danijela; Goldfield, Gary S

    2016-12-01

    Social networking sites (SNS) are a popular form of communication among undergraduate students. Body image concerns and disordered eating behaviors are also quite prevalent among this population. Maladaptive use of SNS has been associated with disordered eating behaviors; however, the mechanisms remain unclear. The present study examined if body image concerns (e.g., appearance and weight esteem) mediate the relationship between excessive time spent on SNS and disordered eating behaviors (restrained and emotional eating). The sample included 383 (70.2 percent female) undergraduate students (mean age = 23.08 years, standard deviation = 3.09) who completed self-report questionnaires related to SNS engagement, body image, disordered eating behaviors, and demographics. Parallel multiple mediation and moderated mediation analyses revealed that lower weight and appearance esteem mediated the relationship between excessive time on SNS and restrained eating for males and females, whereas appearance esteem mediated the relationship between excessive time on SNS and emotional eating for females only. The study adds to the literature by highlighting mediational pathways and gender differences. Intervention research is needed to determine if teaching undergraduate students more adaptive ways of using SNS or reducing exposure to SNS reduces body dissatisfaction and disordered eating in this high-risk population.

  19. 40 CFR 721.981 - Substituted naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex.

    Science.gov (United States)

    2010-07-01

    ... naphthalenyl-substituted azonaphthol chromium complex. 721.981 Section 721.981 Protection of Environment...-substituted naphthalenyl-substituted azonaphthol chromium complex. (a) Chemical substance and significant new... naphtholoazo-substituted naphthalenyl-substituted azonaphthol chromium complex (PMN P-93-1631) is subject to...

  20. Frictional sliding and fracture behavior of some Nevada test site tuffs

    International Nuclear Information System (INIS)

    Morrow, C.; Byerlee, J.

    1984-01-01

    Deformation studies were performed on tuffaceous rocks from Yucca Mountain, Nevada Test Site to determine the strengths and coefficients of friction under confining pressures from 10 to 50 MPa at room temperature. Frictional strengths of 30 0 sawcut samples increased with pressure and reached values of around 150 MPa at the higher confining pressures. However, the failure strengths of the intact samples were quite unpredictable. The coefficients of friction ranged between 0.7 and 0.9 for all specimens. These data can be used in conjunction with in situ stress measurements at Yucca Mountain, to evaluate the potential for earthquake activity in the region. 1 ref., 7 figs

  1. Health risk reduction behaviors model for scavengers exposed to solid waste in municipal dump sites in Nakhon Ratchasima Province, Thailand

    Directory of Open Access Journals (Sweden)

    Thirarattanasunthon P

    2012-08-01

    Full Text Available Phiman Thirarattanasunthon,1 Wattasit Siriwong,1,2 Mark Robson,2–4 Marija Borjan3 1College of Public Health Sciences, Chulalongkorn University, 2Thai Fogarty ITREOH Center, Chulalongkorn University, Bangkok, Thailand; 3School of Environmental and Biological Sciences, Rutgers University, New Brunswick, 4UMDNJ-School of Public Health, Piscataway, NJ, USAAbstract: The aim of this study was to evaluate the effect of comprehensive health risk protection behaviors, knowledge, attitudes, and practices among scavengers in open dump sites. A control group of 44 scavengers and an intervention group of 44 scavengers participated in this study. Interventions included the use of personal protective equipment, health protection training, and other measures. The analysis showed significant differences before and after the intervention program and also between the control and intervention groups. These observations suggest that further action should be taken to reduce adverse exposure during waste collection. To reduce health hazards to workers, dump site scavenging should be incorporated into the formal sector program. Solid waste and the management of municipal solid waste has become a human and environmental health issue and future research should look at constructing a sustainable model to help protect the health of scavengers and drive authorities to adopt safer management techniques.Keywords: scavenger, health risk reduction behaviors model (HRRBM, personal protective equipment (PPE, knowledge, attitude, and practice (KAP, waste health coordinator (WHC

  2. Currency Substitution and Inflation in Peru Currency Substitution and Inflation in Peru

    OpenAIRE

    Liliana Rojas-Suarez

    1992-01-01

    This paper shows that there is a long-run relationship between the expected rate of depreciation in the black-market-exchange rate and the ratio of domestic to foreign money in Peru: that is, the hypothesis of currency substitution can explain the behavior of real holdings of money in Peru. The paper also shows that, while, the importance of currency substitution as a transmission mechanism through which domestic policies affected the dynamics of inflation was relatively small during a period...

  3. Electricity/oil substitution

    International Nuclear Information System (INIS)

    Melvin, J.G.

    1980-09-01

    The extent to which electricity could substitute for imported oil in Canada is assessed and it is concluded that the bulk of projected oil imports could be displaced. This substitution of electricity for oil could be largely completed within two decades, with existing technology, using Canadian resources. The substitution of electricity for imported oil would result in relatively low energy costs and would stimulate economic growth. Energy self-sufficiency through the substitution of electricity for oil is uniquely a Canadian option; it is not open to other industrial countries. The option exists because of Canada's resources of oil sands for essential liquid fuels, hydraulic and nuclear electrical potential, and natural gas as an interim source of energy. While other countries face an energy crisis due to declining supplies of oil, Canada faces opportunities. The policies of Federal and Provincial governments, as perceived by individual decision makers, will have a major influence on Canada's ability to realize opportunities. (auth)

  4. Cation Radical Accelerated Nucleophilic Aromatic Substitution via Organic Photoredox Catalysis.

    Science.gov (United States)

    Tay, Nicholas E S; Nicewicz, David A

    2017-11-15

    Nucleophilic aromatic substitution (S N Ar) is a direct method for arene functionalization; however, it can be hampered by low reactivity of arene substrates and their availability. Herein we describe a cation radical-accelerated nucleophilic aromatic substitution using methoxy- and benzyloxy-groups as nucleofuges. In particular, lignin-derived aromatics containing guaiacol and veratrole motifs were competent substrates for functionalization. We also demonstrate an example of site-selective substitutive oxygenation with trifluoroethanol to afford the desired trifluoromethylaryl ether.

  5. The effect of simultaneous substitution on the electronic band structure and thermoelectric properties of Se-doped Co3SnInS2 with the Kagome lattice

    Science.gov (United States)

    Fujioka, Masaya; Shibuya, Taizo; Nakai, Junya; Yoshiyasu, Keigo; Sakai, Yuki; Takano, Yoshihiko; Kamihara, Yoichi; Matoba, Masanori

    2014-12-01

    The thermoelectric properties and electronic band structures for Se-doped Co3SnInS2 were examined. The parent compound of this material (Co3Sn2S2) has two kinds of Sn sites (Sn1 and Sn2 sites). The density functional theory (DFT) calculations show that the indium substitution at the Sn2 site induces a metallic band structure, on the other hand, a semiconducting band structure is obtained from substitution at the Sn1 site. However, according to the previous reports, since the indium atom prefers to replace the tin atom at the Sn1 site rather than the Sn2 site, the resistivity of Co3SnInS2 shows semiconducting-like behavior. In this study we have demonstrated that metallic behavior and a decrease in resistivity for Se-doped Co3SnInS2 occurs without suppression of the Seebeck coefficient. From the DFT calculations, when the selenium content is above 0.5, the total crystallographic energy shows that a higher indium occupancy at Sn2 site is more stable. Therefore, it is suggested that the selenium doping suppress the site preference for indium substitution. This is one of the possible explanations for the metallic conductivity observed in Se-doped Co3SnInS2

  6. Imidazoline binding sites mediates anticompulsive-like effect of agmatine in marble-burying behavior in mice.

    Science.gov (United States)

    Dixit, Madhura P; Thakre, Prajwal P; Pannase, Akshay S; Aglawe, Manish M; Taksande, Brijesh G; Kotagale, Nandkishor R

    2014-06-05

    Agmatine is a cationic amine formed by decarboxylation of l-arginine by the mitochondrial enzyme arginine decarboxylase and widely distributed in mammalian brain. Although the precise function of endogenous agmatine has been largely remained unclear, its exogenous administration demonstrated beneficial effects in several neurological and psychiatric disorders. This study was planned to examine the role of imidazoline binding sites in the anticompulsive-like effect of agmatine on marble-burying behavior. Agmatine (20 and 40mg/kg, ip), mixed imidazoline I1/α2 agonists clonidine (60µg/kg, ip) and moxonidine (0.25mg/kg, ip), and imidazoline I2 agonist 2- BFI (10mg/kg, ip) showed significant inhibition of marble burying behavior in mice. In combination studies, the anticompulsive-like effect of agmatine (10mg/kg, ip) was significantly potentiated by prior administration of moxonidine (0.25mg/kg, ip) or clonidine (30µg/kg,) or 2-BFI (5mg/kg, ip). Conversely, efaroxan (1mg/kg, ip), an I1 antagonist and idazoxan (0.25mg/kg, ip), an I2 antagonist completely blocked the anticompulsive-like effect of agmatine (10mg/kg, ip). These drugs at doses used here did not influence the basal locomotor activity in experimental animals. These results clearly indicated the involvement of imidazoline binding sites in anti-compulsive-like effect of agmatine. Thus, imidazoline binding sites can be explored further as novel therapeutic target for treatment of anxiety and obsessive compulsive disorders. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. The influence of social networking sites on health behavior change: a systematic review and meta-analysis.

    Science.gov (United States)

    Laranjo, Liliana; Arguel, Amaël; Neves, Ana L; Gallagher, Aideen M; Kaplan, Ruth; Mortimer, Nathan; Mendes, Guilherme A; Lau, Annie Y S

    2015-01-01

    Our aim was to evaluate the use and effectiveness of interventions using social networking sites (SNSs) to change health behaviors. Five databases were scanned using a predefined search strategy. Studies were included if they focused on patients/consumers, involved an SNS intervention, had an outcome related to health behavior change, and were prospective. Studies were screened by independent investigators, and assessed using Cochrane's 'risk of bias' tool. Randomized controlled trials were pooled in a meta-analysis. The database search retrieved 4656 citations; 12 studies (7411 participants) met the inclusion criteria. Facebook was the most utilized SNS, followed by health-specific SNSs, and Twitter. Eight randomized controlled trials were combined in a meta-analysis. A positive effect of SNS interventions on health behavior outcomes was found (Hedges' g 0.24; 95% CI 0.04 to 0.43). There was considerable heterogeneity (I(2) = 84.0%; T(2) = 0.058) and no evidence of publication bias. To the best of our knowledge, this is the first meta-analysis evaluating the effectiveness of SNS interventions in changing health-related behaviors. Most studies evaluated multi-component interventions, posing problems in isolating the specific effect of the SNS. Health behavior change theories were seldom mentioned in the included articles, but two particularly innovative studies used 'network alteration', showing a positive effect. Overall, SNS interventions appeared to be effective in promoting changes in health-related behaviors, and further research regarding the application of these promising tools is warranted. Our study showed a positive effect of SNS interventions on health behavior-related outcomes, but there was considerable heterogeneity. Protocol registration The protocol for this systematic review is registered at http://www.crd.york.ac.uk/PROSPERO with the number CRD42013004140. © The Author 2014. Published by Oxford University Press on behalf of the American Medical

  8. The Impact of Marketing of Breast-Milk Substitutes on WHO-Recommended Breastfeeding Practices.

    Science.gov (United States)

    Piwoz, Ellen G; Huffman, Sandra L

    2015-12-01

    Suboptimal breastfeeding results in 800 000 child deaths annually. There are multiple causes of suboptimal breastfeeding, including marketing of breast-milk substitutes. To describe sales and marketing of breast-milk substitutes and their influence on World Health Organization-recommended breastfeeding behaviors, focusing on low- and middle-income countries. Literature review. Global sales of breast-milk substitutes reached US$40 billion in 2013. Growth in sales exceeds 10% annually in many low- and middle-income countries, while it is close to stagnant in high-income countries. Breast-milk substitutes are marketed directly to consumers via mass media and print advertisements and indirectly via incentives, free supplies, and promotions to and through health workers and facilities, retailers, and policy makers. Internet marketing via company web sites and social media is on the rise. Marketing influences social norms by making formula use seem to be extensive, modern, and comparable to or better than breast milk. Clear evidence of a negative impact is found when breast-milk substitutes are provided for free in maternity facilities and when they are promoted by health workers and in the media. Influences through other channels are plausible, but rigorous studies are lacking. It was not possible with the data available to quantify the impact of marketing relative to other factors on suboptimal breastfeeding behaviors. Marketing remains widespread even in countries that have adopted the International Code of Marketing of Breast-milk Substitutes to restrict such activities. Adoption of stricter regulatory frameworks coupled with independent, quantitative monitoring and compliance enforcement are needed to counter the impacts of formula marketing globally. © The Author(s) 2015.

  9. Thermal stability of substitutional ag in CdTe

    NARCIS (Netherlands)

    Jahn, SG; Hofsass, H; Restle, M; Ronning, C; Quintel, H; BharuthRam, K; Wahl, U

    The thermal stability of substitutional Ag in CdTe was deduced from lattice location measurements at different temperatures. Substitutional Ag probe atoms were generated via transmutation doping from radioactive Cd isotopes. The lattice sites of Ag isotopes were determined by measuring the

  10. MOLECULAR THERMODYNAMICS IN THE DESIGN OF SUBSTITUTE SOLVENTS

    Science.gov (United States)

    The use of physical properties and fluid behavior from molecular thermodynamics can lead to better decision making in the design of substitute solvents and can greatly reduce the expense and time required to find substitutes compared to designing solvents by experiment. this pape...

  11. Settings for Physical Activity – Developing a Site-specific Physical Activity Behavior Model based on Multi-level Intervention Studies

    DEFF Research Database (Denmark)

    Troelsen, Jens; Klinker, Charlotte Demant; Breum, Lars

    Settings for Physical Activity – Developing a Site-specific Physical Activity Behavior Model based on Multi-level Intervention Studies Introduction: Ecological models of health behavior have potential as theoretical framework to comprehend the multiple levels of factors influencing physical...... to be taken into consideration. A theoretical implication of this finding is to develop a site-specific physical activity behavior model adding a layered structure to the ecological model representing the determinants related to the specific site. Support: This study was supported by TrygFonden, Realdania...... activity (PA). The potential is shown by the fact that there has been a dramatic increase in application of ecological models in research and practice. One proposed core principle is that an ecological model is most powerful if the model is behavior-specific. However, based on multi-level interventions...

  12. Characterization and reaction behavior of ferrocyanide simulants and Hanford Site high-level ferrocyanide waste

    International Nuclear Information System (INIS)

    Jeppson, D.W.; Simpson, B.C.

    1994-02-01

    Nonradioactive waste simulants and initial ferrocyanide tank waste samples were characterized to assess potential safety concerns associated with ferrocyanide high-level radioactive waste stored at the Hanford Site in underground single-shell tanks (SSTs). Chemical, physical, thermodynamic, and reaction properties of the waste simulants were determined and compared to properties of initial samples of actual ferrocyanide wastes presently in the tanks. The simulants were shown to not support propagating reactions when subjected to a strong ignition source. The simulant with the greatest ferrocyanide concentration was shown to not support a propagating reaction that would involve surrounding waste because of its high water content. Evaluation of dried simulants indicated a concentration limit of about 14 wt% disodium mononickel ferrocyanide, below which propagating reactions could not occur in the ambient temperature bulk tank waste. For postulated localized hot spots where dried waste is postulated to be at an initial temperature of 130 C, a concentration limit of about 13 wt% disodium mononickel ferrocyanide was determined, below which propagating reactions could not occur. Analyses of initial samples of the presently stored ferrocyanide waste indicate that the waste tank ferrocyanide concentrations are considerably lower than the limit for propagation for dry waste and that the water content is near that of the as-prepared simulants. If the initial trend continues, it will be possible to show that runaway ferrocyanide reactions are not possible under present tank conditions. The lower ferrocyanide concentrations in actual tank waste may be due to tank waste mixing and/or degradation from radiolysis and/or hydrolysis, which may have occurred over approximately 35 years of storage

  13. Structural and magnetic behavior of Pr-substituted M-type hexagonal ferrites synthesized by sol–gel autocombustion for a variety of applications

    Energy Technology Data Exchange (ETDEWEB)

    Abbas, Waseem; Ahmad, Ishtiaq; Kanwal, M.; Murtaza, Ghulam; Ali, Ihsan [Department of Physics, Bahauddin Zakariya University, Multan 60800 (Pakistan); Azhar Khan, Muhammad [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur 63100 (Pakistan); Akhtar, Majid Niaz [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Ahmad, Mukhtar, E-mail: ahmadmr25@yahoo.com [Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000 (Pakistan)

    2015-01-15

    A series of M-type hexaferrites with chemical formula Ba{sub 0.25}Sr{sub 0.75}Pr{sub x}Fe{sub 12−x}O{sub 19} (x=0.00, 0.05, 0.10, 0.15, 0.20, 0.25) were synthesized using sol–gel autocombustion method. The samples were pre-sintered at a temperature of 800 °C for 3 h and were finally sintered at 1200 °C for 1 h at the heating rate of 10 °C/min. The thermal properties of the specimen have been investigated by thermogravimetric and differential thermal analyses. The structures and micrographs of the samples were systematically examined by X-ray diffraction and scanning electron microscopy, respectively. Vibrating sample magnetometer was also used in order to study the magnetic parameters of these ferrites. The hard magnetic behavior was confirmed by M–H loops for all the samples except for the sample with x=0.10 concentration which exhibits maximum saturation magnetization (M{sub s}) and a few hundred oersteds of coercivity (H{sub c}). Thus high M{sub s} and low H{sub c} cause to increase the permeability of the sample which is favorable for impedance matching in microwave absorption. - Highlights: • M-type ferrites Ba{sub 0.25}Sr{sub 0.75}Pr{sub x}Fe{sub 12−x}O{sub 19} were synthesized using sol–gel autocombustion. • The samples were finally sintered at 1200 °C for 1 h at the rate of 10 °C/min. • The sample with x=0.10 concentration exhibits maximum M{sub s} and a low coercivity (H{sub c}). • These parameters are favorable for impedance matching in microwave absorption. • Hard magnetic nature is revealed by other samples that are suitable for magnetic recording.

  14. Bone substitute biomaterials

    CERN Document Server

    Mallick, K

    2014-01-01

    Bone substitute biomaterials are fundamental to the biomedical sector, and have recently benefitted from extensive research and technological advances aimed at minimizing failure rates and reducing the need for further surgery. This book reviews these developments, with a particular focus on the desirable properties for bone substitute materials and their potential to encourage bone repair and regeneration. Part I covers the principles of bone substitute biomaterials for medical applications. One chapter reviews the quantification of bone mechanics at the whole-bone, micro-scale, and non-scale levels, while others discuss biomineralization, osteoductivization, materials to fill bone defects, and bioresorbable materials. Part II focuses on biomaterials as scaffolds and implants, including multi-functional scaffolds, bioceramics, and titanium-based foams. Finally, Part III reviews further materials with the potential to encourage bone repair and regeneration, including cartilage grafts, chitosan, inorganic poly...

  15. [Delegation yes, substitution no!].

    Science.gov (United States)

    Schroeder, A

    2014-08-01

    The aging of society leads on the one hand to increasing case numbers and on the other hand to a reduction in the number of physicians available for patient treatment. The delegation and substitution of medical duties as a tried and tested method is increasingly being recommended in order to compensate for the lack of physicians. The Berufsverband der Deutschen Urologen (BDU, Professional Association of German Urologists) supports the guiding principle of the Bundesärztekammer (Federal Medical Council) of "delegation yes, substitution no" and rejects a substitution of medical duties by non-medical academic health personnel. Against the background of the demographic changes, the increasing need for treatment and the current deficiency of junior physicians, a more extensive inclusion of well-qualified and experienced non-medical personnel by the delegation of medically responsible duties (medical scope of practice) can be an appropriate measure to maintain a good medical service in practices, hospitals and nursing homes.

  16. Aryl substitution of pentacenes

    Directory of Open Access Journals (Sweden)

    Andreas R. Waterloo

    2014-07-01

    Full Text Available A series of 11 new pentacene derivatives has been synthesized, with unsymmetrical substitution based on a trialkylsilylethynyl group at the 6-position and various aryl groups appended to the 13-position. The electronic and physical properties of the new pentacene chromophores have been analyzed by UV–vis spectroscopy (solution and thin films, thermoanalytical methods (DSC and TGA, cyclic voltammetry, as well as X-ray crystallography (for 8 derivatives. X-ray crystallography has been specifically used to study the influence of unsymmetrical substitution on the solid-state packing of the pentacene derivatives. The obtained results add to our ability to better predict substitution patterns that might be helpful for designing new semiconductors for use in solid-state devices.

  17. Aryl substitution of pentacenes

    Science.gov (United States)

    Waterloo, Andreas R; Sale, Anna-Chiara; Lehnherr, Dan; Hampel, Frank

    2014-01-01

    Summary A series of 11 new pentacene derivatives has been synthesized, with unsymmetrical substitution based on a trialkylsilylethynyl group at the 6-position and various aryl groups appended to the 13-position. The electronic and physical properties of the new pentacene chromophores have been analyzed by UV–vis spectroscopy (solution and thin films), thermoanalytical methods (DSC and TGA), cyclic voltammetry, as well as X-ray crystallography (for 8 derivatives). X-ray crystallography has been specifically used to study the influence of unsymmetrical substitution on the solid-state packing of the pentacene derivatives. The obtained results add to our ability to better predict substitution patterns that might be helpful for designing new semiconductors for use in solid-state devices. PMID:25161729

  18. Effects of Social Support About Physical Activity on Social Networking Sites: Applying the Theory of Planned Behavior.

    Science.gov (United States)

    Zhang, Ni; Campo, Shelly; Yang, Jingzhen; Janz, Kathleen F; Snetselaar, Linda G; Eckler, Petya

    2015-01-01

    Despite the physical and mental health benefits of leisure-time physical activity (LTPA), only about half of college students participate in the recommended amount of LTPA. While college students are avid users of social network sites (SNSs), whether SNSs would be an effective channel for promoting LTPA through peer social support is unclear. The aim of this study was to explore the effects of social support from students' contacts on SNSs on their intention to participate in LTPA, applying the Theory of Planned Behavior. Participants were recruited through a mass e-mail sent to undergraduate students at a large Midwestern university in fall 2011. In total, 439 surveys were analyzed. Descriptive analyses and analysis for mediating effects were conducted. Social support about LTPA from contacts on SNSs has indirect effect on intention through affective attitude, instrumental attitude, and perceived behavioral control (PBC). The results indicate that social support about LTPA from contacts on SNSs might not be effective to change students' intention unless attitudes and PBC are changed. Future interventions aiming to promote students' intention to participate in LTPA by increasing support from contacts on SNSs should increase affective attitude, instrumental attitude, and PBC at the same time.

  19. Evaluating rare amino acid substitutions (RGC_CAMs in a yeast model clade.

    Directory of Open Access Journals (Sweden)

    Kenneth Polzin

    Full Text Available When inferring phylogenetic relationships, not all sites in a sequence alignment are equally informative. One recently proposed approach that takes advantage of this inequality relies on sites that contain amino acids whose replacement requires multiple substitutions. Identifying these so-called RGC_CAM substitutions (after Rare Genomic Changes as Conserved Amino acids-Multiple substitutions requires that, first, at any given site in the amino acid sequence alignment, there must be a minimum of two different amino acids; second, each amino acid must be present in at least two taxa; and third, the amino acids must require a minimum of two nucleotide substitutions to replace each other. Although theory suggests that RGC_CAM substitutions are expected to be rare and less likely to be homoplastic, the informativeness of RGC_CAM substitutions has not been extensively evaluated in biological data sets. We investigated the quality of RGC_CAM substitutions by examining their degree of homoplasy and internode certainty in nearly 2.7 million aligned amino acid sites from 5,261 proteins from five species belonging to the yeast Saccharomyces sensu stricto clade whose phylogeny is well-established. We identified 2,647 sites containing RGC_CAM substitutions, a number that contrasts sharply with the 100,887 sites containing RGC_non-CAM substitutions (i.e., changes between amino acids that require only a single nucleotide substitution. We found that RGC_CAM substitutions had significantly lower homoplasy than RGC_non-CAM ones; specifically RGC_CAM substitutions showed a per-site average homoplasy index of 0.100, whereas RGC_non-CAM substitutions had a homoplasy index of 0.215. Internode certainty values were also higher for sites containing RGC_CAM substitutions than for RGC_non-CAM ones. These results suggest that RGC_CAM substitutions possess a strong phylogenetic signal and are useful markers for phylogenetic inference despite their rarity.

  20. Muon substituted free radicals

    International Nuclear Information System (INIS)

    Burkhard, P.; Fischer, H.; Roduner, E.; Strub, W.; Gygax, F.N.; Brinkman, G.A.; Louwrier, P.W.F.; McKenna, D.; Ramos, M.; Webster, B.C.

    1984-01-01

    Spin polarized energetic positive muons are injected as magnetic probes into unsaturated organic liquids. They are implemented via fast chemical processes ( -10 s) in various molecules. Of particular interest among these are muonium substituted free radicals. The technique allows determination of accurate rate coefficients for fast chemical reactions of radicals. Furthermore, radiochemical processes occuring in picoseconds after injection of the muon are studied. Of fundamental interest are also the structural and dynamical implications of substituting a proton by a muon, or in other terms, a hydrogen atom by a muonium atom. Selected examples for each of these three types of experiments are given. (Auth.)

  1. High-pressure synthesis and magnetic behavior of A-site columnar-ordered double perovskites, LnMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} (Ln = Sm, Gd)

    Energy Technology Data Exchange (ETDEWEB)

    Shimura, Gen; Niwa, Ken; Shirako, Yuichi; Hasegawa, Masashi [Department of Crystalline Materials Science, Nagoya University, 464-8601, Nagoya (Japan)

    2017-01-26

    A-site columnar-ordered double perovskites, LnMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} (Ln = Sm, Gd), were successfully synthesized under high pressure and high temperature (6 GPa, 1375 K). From the synchrotron powder X-ray diffraction patterns, all of the diffraction peaks can be indexed by the P4{sub 2}/nmc space group with lattice parameters a, c ∼ 2a{sub p} (a{sub p}: primitive cubic perovskite lattice) and no ordering of the B-site cations. Rietveld analysis of the synchrotron powder X-ray diffraction patterns and Curie-Weiss fitting of their magnetizations reveal that the ionic formulae of these perovskites are Ln{sup 3+}Mn{sup 2+}(Ga{sup 3+}{sub 0.5}Ti{sup 4+}{sub 0.5}){sub 2}O{sup 2-}{sub 6}. SmMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} shows canted-antiferromagnetic behavior, whereas GdMn(Ga{sub 0.5}Ti{sub 0.5}){sub 2}O{sub 6} exhibits two different magnetic states at low temperature depending on the applied magnetic field and shows an unusual magnetization curve. These magnetic behaviors originate by decreasing the antiferromagnetic interaction by substituting Ga{sup 3+}(d{sup 10}) for Ti{sup 4+}(d{sup 0}) and by decreasing the ferromagnetic interaction between columnar-ordered Ln{sup 3+} and Mn{sup 2+}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Hazardous solvent substitution

    International Nuclear Information System (INIS)

    Twitchell, K.E.

    1995-01-01

    This article is an overview of efforts at INEL to reduce the generation of hazardous wastes through the elimination of hazardous solvents. To aid in their efforts, a number of databases have been developed and will become a part of an Integrated Solvent Substitution Data System. This latter data system will be accessible through Internet

  3. Carbolanthanation of substituted alkynes

    International Nuclear Information System (INIS)

    Kalinin, V.N.; Kazimirchuk, E.I.; Vitt, S.V.; Khandozhko, V.N.; Beletskaya, I.P.

    1993-01-01

    Using the reaction between CH 3 YbI and substituted alkynes as an example, agents can enter into carbolanthanation reaction via transfer of a methyl group to carbon atom of acetylene bond with the production of a new olefin carbanion. 5 refs.; 1 fig.; 3 tabs

  4. Quantitative and qualitative assessment of the groundwater system behavior to support Brownfield regeneration of Hunedoara (Romania) former steel production site

    Science.gov (United States)

    Gogu, R.; Gaitanaru, D.; Ciugulea, O.; Boukhemacha, M. A.; Bica, I.

    2012-04-01

    Located in the Western part of Romania, the study area is the Hunedoara former steel industry site. The current contamination status of the subsurface shows a real threat due to the contribution of more than 100 years of steel production, ironworks operations, coke products generation, and recovery of recycling materials. Analyses performed in 2007 indicated high contaminations with heavy metals like copper, lead, cadmium, manganese, and chromium. As the contamination of the soil and groundwater severe, brownfield regeneration of this site is essential for a sustainable land management. Intelligent remediation techniques with regard to phytoremediation and soil washing with recycled solutions could be applied. However, these techniques could be correctly chosen and applied if a reliable image of the hydrological, geological, hydrogeological, pedological settings exits and after a deep understanding of the contamination mechanisms. As consequence the development of a groundwater flow and contaminant transport model for this area is compulsory. Hunedoara County has a complex geological structure, made by crystalline-Mesozoic units belonging to Southern Carpathians and by sedimentary-volcanic units of Western Carpathians. The site area is shaped by the presence of alluvial deposits from the Superior Holocene. From the lithologic point of view, covered by a thick layer of clay a sandy formation is located at depths bellow 10 m. The two strata are covering an extended carbonate media. The main aquifer is represented by a groundwater body located under the clay layer. The groundwater table of the superficial aquifer is located at about 10 m depth. The one layer groundwater flow model simulating aquifer behavior covers about 1,2 km2. Its conceptual model relies on a 3D geological model made by using 7 accurate geological cross-sections of the studied domain. Detailed geological data was provided by direct-push core sampling correlated with the penetration time and with

  5. Effect of Cu{sup 2+} and Ni{sup 2+} substitution at the Mn site in (La{sub 0.63}Ca{sub 0.37})MnO{sub 3}: A neutron powder diffraction investigation

    Energy Technology Data Exchange (ETDEWEB)

    Martinelli, A., E-mail: alberto.martinelli@spin.cnr.it [CNR-SPIN, C.so Perrone 24, 16152 Genova (Italy); Ferretti, M. [CNR-SPIN, C.so Perrone 24, 16152 Genova (Italy); Dipartimento di Chimica e Chimica Industriale, Università di Genova, Via Dodecaneso 31, 16146 Genova (Italy); Castellano, C. [Università degli Studi di Milano, Dipartimento di Chimica Strutturale e Stereochimica Inorganica, Via G. Venezian 21, 20133 Milano (Italy); Cimberle, M.R. [IMEM-CNR, Via Dodecaneso 33, 16146 Genova (Italy); Ritter, C. [Institute Laue—Langevin, 6 rue Jules Horowitz, 38042 Grenoble Cedex 9 (France)

    2013-04-15

    The crystal and magnetic structures of the (La{sub 0.63}Ca{sub 0.37})(Mn{sub 1−x}TM{sub x})O{sub 3} compounds (x=0.00, 0.03, 0.08; TM=Cu{sup 2+}, Ni{sup 2+}) were investigated between 5 K and 300 K by means of dc magnetic measurements and neutron powder diffraction analysis followed by Rietveld refinement. Both substituting cations lead to a reduction of the long range ferromagnetic ordering temperature; ferromagnetism is strongly suppressed in the 8% Cu-substituted sample, where long- and short-range FM magnetic orders coexist together with short-range A-type AFM order. This particular feature can be related to the Jahn–Teller character of Cu{sup 2+}, absent in Ni{sup 2+}, and suggests the occurrence of a quantum critical point in the (La{sub 0.63}Ca{sub 0.37})(Mn{sub 1−x}Cu{sub x})O{sub 3} system. - Graphical abstract: Rietveld refinement plot of (La{sub 0.63}Ca{sub 0.37})(Mn{sub 0.92}Cu{sub 0.08})O{sub 3} showing in the inset the coexistence of broad A-type AFM peaks with FM ones. Highlights: ► (La{sub 0.63}Ca{sub 0.37})MnO{sub 3} was substituted with Ni and Cu. ► Neutron powder diffraction and Rietveld refinement were carried out. ► A quantum critical point possibly occurs in the (La{sub 0.63}Ca{sub 0.37})(Mn{sub 1−x}Cu{sub x})O{sub 3} system.

  6. Substitution biases in price indices during transition

    Czech Academy of Sciences Publication Activity Database

    Hanousek, Jan; Filer, Randall K.

    2004-01-01

    Roč. 21, č. 2 (2004), s. 167-177 ISSN 0167-8000 R&D Projects: GA MŠk ME 595 Institutional research plan: CEZ:AV0Z7085904 Keywords : price liberalization * substitution bias * transition economies Subject RIV: AH - Economics http://search. ebscohost .com/login.aspx?direct=true&db=a9h&AN=17109091&site=ehost-live

  7. Behaviorism

    Science.gov (United States)

    Moore, J.

    2011-01-01

    Early forms of psychology assumed that mental life was the appropriate subject matter for psychology, and introspection was an appropriate method to engage that subject matter. In 1913, John B. Watson proposed an alternative: classical S-R behaviorism. According to Watson, behavior was a subject matter in its own right, to be studied by the…

  8. Hexavalent Chromium Substitution Projects

    Science.gov (United States)

    2011-05-12

    Hexavalent Chromium Substitution Projects Date (12 May 2011) Gene McKinley ASC/WNV (937) 255-3596 Gene.McKinley@wpafb.af.mil Aeronautical Systems...valid OMB control number. 1. REPORT DATE 12 MAY 2011 2. REPORT TYPE 3. DATES COVERED 00-00-2011 to 00-00-2011 4. TITLE AND SUBTITLE Hexavalent ...A-10) – AETC (T-6, T-38 and T1A) • Both Cr Primers & Non-Cr primers as well as Cr Surface Treatment – F-22 8 Non- Chrome Tie-coat & touch-up

  9. Muonium substituted molecules

    International Nuclear Information System (INIS)

    Cox, S.F.J.

    1990-12-01

    The manner in which Muon Spin Rotation and Level Crossing Resonance are used to characterise muonium substituted organic radicals is described, and illustrated with spectra for the ethyl radical and related species. Comparison with electron spin resonance data for the unsubstituted radicals reveals significant structural and hyperfine isotope effects which can be traced to the effects of zero point motion. The first comparable results for a diamagnetic species, exhibiting a quadrupole isotope effect by comparison with conventional nuclear quadrupole resonance data, are presented and discussed. (author)

  10. [Present situation of awareness of acquired immune deficiency syndrome (AIDS) knowledge and AIDS-related behaviors among youth students in gay dating sites].

    Science.gov (United States)

    2017-06-18

    To investigate the awareness of acquired immune deficiency syndrome (AIDS) knowledge and AIDS-related behaviors among youth students in gay dating sites, and to provide evidences for AIDS prevention education through the internet. The students in gay dating sites, selected by a snowball sampling, were interviewed by questionnaires. Chi-square tests were used to analyze the awareness of AIDS knowledge among the students of different characteristics. The Logistic regression was used to analyze the factors associated with ever testing for HIV. In the study, 469 youth students in gay dating sites filled in the questionnaires, and a total of 442 (94.2%) valid samples were collected. The awareness of HIV/AIDS knowledge for the public among the youth students in gay dating sites was 83.9% (371).The awareness of HIV/AIDS knowledge for the youth students was 77.1% (341), and the rate of ever testing for HIV was 52.0% (230). The awareness of HIV/AIDS knowledge for the public in the students were different in different age groups (P=0.001), different marital statuses (Pdating sites was 75.1% (332), and the rate of multiple sexual partnerships among the youth students was 41.3% (137). Compared with homosexual orientation, sexual orientation as heterosexual (OR=0.282, 95%CI: 0.151 to 0.528) and not sure (OR=0.175, 95%CI: 0.035 to 0.885) were risk factors of ever testing for HIV. Multiple sexual partnerships (OR=2.103, 95%CI: 1.278 to 3.462) were promoting factors of ever testing for HIV. The rate of high-risk behaviors among the youth students in gay dating sites was high. The concern should be raised to heterosexual male students who had tendency to homosexual behavior. The AIDS prevention education should be developed in gay dating sites, to improve the self-protection awareness of the youth students.

  11. The electronic configuration of substitutional Fe in silicon

    CERN Document Server

    Weyer, G; Fanciulli, M; Fedosseev, V; Gunnlaugsson, H P; Mishin, V I; Sielemann, R

    1999-01-01

    Ion implantations of radioactive /sup 57/Mn/sup +/ into differently doped silicon single crystals held at 300-600 K have been utilized for /sup 57/Fe Mossbauer studies of interstitial and substitutional Fe. Site and charge state assignments have been made on the basis of the determined hyperfine interaction parameters and Debye temperatures. Substantial fractions of substitutional /sup 57/Mn probe atoms are proposed to occur due to annealing reactions. This site is maintained in the subsequent decay to /sup 57/Fe by sites. (19 refs).

  12. Resources, recycle, and substitution

    International Nuclear Information System (INIS)

    Wymer, R.G.

    A two-fold strategy appears necessary to ensure that the resource needs of the developed and developing nations are met. First, recycle and substitution must be encouraged in those instances where they do find application. Although these measures have limited applicability, they may be of vital importance in those instances where they do apply; in any event, they buy time. Second, practical and economical technologies must be developed to exploit the lower-grade and marginal ores and the oftentimes abundant but highly refractory ores, as well as to greatly increase the recovery of secondary elements present in the ores - elements whose form and amounts in the ores make them economically unrecoverable by themselves, but which are economically recoverable as by-products. It is often the case that if these elements are not recovered during the initial mining and milling operations, they are rendered unrecoverable, in a practical sense, forever. Furthermore, they may even become environmental pollutants. Specific examples of recovery from refractory ores, by-product recovery, and recycle are given. Also, some suggestions of substitutes for important resources are tabulated

  13. Hemoglobin Rahere, a human hemoglobin variant with amino acid substitution at the 2,3-diphosphoglycerate binding site. Functional consequences of the alteration and effects of bezafibrate on the oxygen bindings.

    OpenAIRE

    Sugihara, J; Imamura, T; Nagafuchi, S; Bonaventura, J; Bonaventura, C; Cashon, R

    1985-01-01

    We encountered an abnormal hemoglobin (Rahere), with a threonine residue replacing the beta 82 (EF6) lysine residue at the binding site of 2,3-diphosphoglycerate, which was responsible for overt erythrocytosis in two individuals of a Japanese family. Hemoglobin Rahere shows a lower oxygen affinity on the binding of 2,3-diphosphoglycerate or chloride ions than hemoglobin A. Although a decrease in the positive charge density at the binding sites of 2,3-diphosphoglycerate in hemoglobin Rahere ap...

  14. Diastereoselective Au-Catalyzed Allene Cycloisomerizations to Highly Substituted Cyclopentenes.

    Science.gov (United States)

    Reeves, Ryan D; Phelps, Alicia M; Raimbach, William A T; Schomaker, Jennifer M

    2017-07-07

    Site- and regiocontrolled Au-catalyzed allene carbocyclizations furnish highly substituted cyclopentenes in >1:1 dr. Significant substitution on the substrate is tolerated, with potential to install five contiguous stereocenters after alkene functionalization. Major challenges include identifying a Au/Cu catalyst that controls both the relative rates of allene epimerization/cyclization and the facial selectivity in addition of a metal enolate to the allene. Experiments to achieve stereodivergent cyclizations and transform key cyclopentenes into useful synthetic building blocks are described.

  15. High-temperature resistivity and thermoelectric properties of coupled substituted Ca3Co2O6

    Directory of Open Access Journals (Sweden)

    Meenakshisundaram Senthilkumar and Rajagopalan Vijayaraghavan

    2009-01-01

    Full Text Available Polycrystalline samples of Ca3−xNaxCo2−xMnxO6 (x=0.0–0.5 have been prepared by the sol-gel cum combustion method using sucrose in order to investigate the effects of the coupled substitution of Na and Mn on Ca and Co sites on the transport properties of Ca3Co2O6(Co326. The products were characterized by Fourier transform infrared spectroscopy, powder x-ray diffraction (XRD, thermogravimetry (TGA, differential thermal analysis and scanning electron microscopy. XRD patterns reveal the formation of single-phase products up to x=0.5. Coupled substitution increases the solubility of both Na and Mn on Ca and Co sites, respectively, in contrast to the limited solubility of Na and Mn (x=0.2 when separately substituted. TGA confirms the formation of the Ca3Co2O6 phase at temperatures ~720 °C. The grain size of the parent and substituted products is in the range 150–250 nm. Electrical resistivity and Seebeck coefficient were measured in the temperature range 300–800 K. Resistivity shows semiconducting behavior for all the compositions, particularly in the low-temperature regime. The Seebeck coefficient increases with temperature throughout the measured temperature range for all compositions. The maximum Seebeck coefficient (200 μV K−1 is observed for x=0.5 at 825 K, and this composition may be optimal for high-temperature thermoelectric applications.

  16. Hemoglobin Rahere, a human hemoglobin variant with amino acid substitution at the 2,3-diphosphoglycerate binding site. Functional consequences of the alteration and effects of bezafibrate on the oxygen bindings.

    Science.gov (United States)

    Sugihara, J; Imamura, T; Nagafuchi, S; Bonaventura, J; Bonaventura, C; Cashon, R

    1985-09-01

    We encountered an abnormal hemoglobin (Rahere), with a threonine residue replacing the beta 82 (EF6) lysine residue at the binding site of 2,3-diphosphoglycerate, which was responsible for overt erythrocytosis in two individuals of a Japanese family. Hemoglobin Rahere shows a lower oxygen affinity on the binding of 2,3-diphosphoglycerate or chloride ions than hemoglobin A. Although a decrease in the positive charge density at the binding sites of 2,3-diphosphoglycerate in hemoglobin Rahere apparently shifts the allosteric equilibrium toward the low affinity state, it greatly diminishes the cofactor effects by anions. The oxygen affinity of the patient's erythrocytes is substantially lowered by the presence of bezafibrate, which combines with sites different from those of 2,3-diphosphoglycerate in either hemoglobin Rahere or hemoglobin A.

  17. α-Amino Acid Derived Benzimidazole-Linked Rhodamines: A Case of Substitution Effect at the Amino Acid Site toward Spiro Ring Opening for Selective Sensing of Al3+ Ions.

    Science.gov (United States)

    Majumdar, Anupam; Mondal, Subhendu; Daniliuc, Constantin G; Sahu, Debashis; Ganguly, Bishwajit; Ghosh, Sourav; Ghosh, Utpal; Ghosh, Kumaresh

    2017-08-07

    α-Amino acid derived benzimidazole-linked rhodamines have been synthesized, and their metal ion sensing properties have been evaluated. Experimentally, l-valine- and l-phenylglycine-derived benzimidazole-based rhodamines 1 and 2 selectively recognize Al 3+ ion in aqueous CH 3 CN (CH 3 CN/H 2 O 4/1 v/v, 10 mM tris HCl buffer, pH 7.0) over the other cations by exhibiting color and "turn-on" emission changes. In contrast, glycine-derived benzimidazole 3 remains silent in the recognition event and emphasizes the role of α-substitution of amino acid undertaken in the design. The fact has been addressed on the basis of the single-crystal X-ray structures and theoretical calculations. Moreover, pink 1·Al 3+ and 2·Al 3+ ensembles selectively sensed F - ions over other halides through a discharge of color. Importantly, compounds 1 and 2 are cell permeable and have been used as imaging reagents for the detection of Al 3+ uptake in human lung carcinoma cell line A549.

  18. A survey of pyrethroid-resistant populations of Meligethes aeneus F. in Poland indicates the incidence of numerous substitutions in the pyrethroid target site of voltage-sensitive sodium channels in individual beetles.

    Science.gov (United States)

    Wrzesińska, B; Czerwoniec, A; Wieczorek, P; Węgorek, P; Zamojska, J; Obrępalska-Stęplowska, A

    2014-10-01

    The pollen beetle (Meligethes aeneus F.) is the most devastating pest of oilseed rape (Brassica napus) and is controlled by pyrethroid insecticides. However, resistance to pyrethroids in Europe is becoming widespread and predominant. Pyrethroids target the voltage-sensitive sodium channel (VSSC), and mutations in VSSC may be responsible for pyrethroid insensitivity. Here, we analysed individual beetles that were resistant to esfenvalerate, a pyrethroid, from 14 populations that were collected from oilseed rape fields in Poland. We screened the VSSC domains that were presumed to directly interact with pyrethroids. We identified 18 heterozygous nucleic acid substitutions, amongst which six caused an amino acid change: N912S, G926S, I936V, R957G, F1538L and E1553G. Our analysis of the three-dimensional structure of these domains in VSSC revealed that some of these changes may slightly influence the protein structure and hence the docking efficiency of esfenvalerate. Therefore, these mutations may impact the susceptibility of the sodium channel to the action of this insecticide. © 2014 The Royal Entomological Society.

  19. Alpha shift correlation (ASC) method. Sensitivity of B-11 NMR shifts to halogen substitution in the ten-vertex nido and arachno series of boron clusters. Linear behavior of NMR effects

    Czech Academy of Sciences Publication Activity Database

    Štíbr, Bohumil

    2018-01-01

    Roč. 471, FEB (2018), s. 615-619 ISSN 0020-1693 R&D Projects: GA ČR(CZ) GA16-01618S Institutional support: RVO:61388980 Keywords : Boranes * Dicarbaboranes * NMR shifts- B NMR correlation 11 * Sensitivity factors * Substitution effects Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 2.002, year: 2016

  20. Beneficial effects of substituting trivalent ions in the B-site of La0.5Sr0.5Mn1-xAxO3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H2 from CO2 and H2O.

    Science.gov (United States)

    Dey, Sunita; Naidu, B S; Rao, C N R

    2016-02-14

    The effect of substitution of Al(3+), Ga(3+) and Sc(3+) ions in the Mn(3+) site of La0.5Sr0.5MnO3 on the thermochemical splitting of CO2 to generate CO has been studied in detail. Both La0.5Sr0.5Mn1-xGaxO3 and La0.5Sr0.5Mn1-xScxO3 give high yields of O2 and generate CO more efficiently than La0.5Sr0.5Mn1-xAlxO3 or the parent La0.5Sr0.5MnO3. Substitution of even 5% Sc(3+) (x = 0.05) results in a remarkable improvement in performance. Thus La0.5Sr0.5Mn0.95Sc0.05O3 produces 417 μmol g(-1) of O2 and 545 μmol g(-1) of CO, respectively, i.e. 2 and 1.7 times more O2 and CO than La0.5Sr0.5MnO3. This manganite also generates H2 satisfactorily by the thermochemical splitting of H2O.

  1. On magnetic ordering in heavily sodium substituted hole doped lanthanum manganites

    Energy Technology Data Exchange (ETDEWEB)

    Sethulakshmi, N. [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Unnimaya, A.N. [Centre for Materials for Electronic Technology (CMET), Thrissur 680581, Kerala (India); Al-Omari, I.A.; Al-Harthi, Salim [Department of Physics, Sultan Qaboos University, PC 123 Muscat (Oman); Sagar, S. [Government College for Women, Thiruvananthapuram 695014, Kerala (India); Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, Thiruvananthapuram 695019, Kerala (India); Srinivasan, G. [Department of Physics, Oakland University, Rochester (United States); Anantharaman, M.R., E-mail: mraiyer@yahoo.com [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India)

    2015-10-01

    Mixed valence manganite system with monovalent sodium substituted lanthanum manganites form the basis of the present work. Lanthanum manganites belonging to the series La{sub 1−x}Na{sub x}MnO{sub 3} with x=0.5–0.9 were synthesized using modified citrate gel method. Variation of lattice parameters and unit cell volume with Na concentration were analyzed and the magnetization measurements indicated ferromagnetic ordering in all samples at room temperature. Low temperature magnetization behavior indicated that all samples exhibit antiferromagnetism along with ferromagnetism and it has also been observed that antiferromagnetic ordering dominates ferromagnetic ordering as concentration is increased. Evidence for such a magnetic inhomogeneity in these samples has been confirmed from the variation in Mn{sup 3+}/Mn{sup 4+} ion ratio from X-ray Photoelectron Spectroscopy and from the absorption peak studies using Ferromagnetic Resonance Spectroscopy. - Highlights: • Higher substitution of more than 50 percent of monovalent ion, sodium for La sites in lanthanum manganites scarce in literature. • Structural studies using XRD and further structure refinement by Rietveld refinement confirmed orthorhombic pbnm spacegroup. • Ferromagnetic behavior at room temperature with saturation magnetization decreasing with increase in sodium concentration. • M vs T measurements using FC ZFC proved coexisting FM/AFM behavior arising from exchange interactions between different valence states of Mn ions. • Disparity in ratio of Mn valence ions indicated presence of vacancies providing the role of vacancies and oxygen stoichiometry in deciding magnetic inhomogeneity.

  2. Currency substitution in Eastern Europe

    NARCIS (Netherlands)

    van Aarle, B.; Budina, N.

    1995-01-01

    Monetary instability during the transition process from a command economy to a market economy has induced a considerable increase in currency substitution in Eastern Europe. Currency substitution itself affects monetary stability since it reduces the stability of velocity. This paper investigates

  3. Why Does Trigonometric Substitution Work?

    Science.gov (United States)

    Cunningham, Daniel W.

    2018-01-01

    Modern calculus textbooks carefully illustrate how to perform integration by trigonometric substitution. Unfortunately, most of these books do not adequately justify this powerful technique of integration. In this article, we present an accessible proof that establishes the validity of integration by trigonometric substitution. The proof offers…

  4. Substitution of matrices over rings

    NARCIS (Netherlands)

    Hautus, M.L.J.

    1995-01-01

    For a given commutative ring with an identity element, we define and study the substitution of a matrix with entries in into a matrix polynomial or rational function over . A Bezout-type remainder theorem and a "partial-substitution rule" are derived and used to obtain a number of results. The

  5. Biological background of dermal substitutes

    NARCIS (Netherlands)

    van der Veen, V. C.; van der Wal, M.B.; van Leeuwen, M.C.; Ulrich, M.; Middelkoop, E.

    2010-01-01

    Dermal substitutes are of major importance in treating full thickness skin defects, both in acute and chronic wounds. In this review we will outline specific requirements of three classes of dermal substitutes:-natural biological materials, with a more or less intact extracellular matrix

  6. Continuous atmospheric monitoring of the injected CO2 behavior over geological storage sites using flux stations: latest technologies and resources

    Science.gov (United States)

    Burba, George; Madsen, Rodney; Feese, Kristin

    2014-05-01

    Flux stations have been widely used to monitor emission rates of CO2 from various ecosystems for climate research for over 30 years [1]. The stations provide accurate and continuous measurements of CO2 emissions with high temporal resolution. Time scales range from 20 times per second for gas concentrations, to 15-minute, hourly, daily, and multi-year periods. The emissions are measured from the upwind area ranging from thousands of square meters to multiple square kilometers, depending on the measurement height. The stations can nearly instantaneously detect rapid changes in emissions due to weather events, as well as changes caused by variations in human-triggered events (pressure leaks, control releases, etc.). Stations can also detect any slow changes related to seasonal dynamics and human-triggered low-frequency processes (leakage diffusion, etc.). In the past, station configuration, data collection and processing were highly-customized, site-specific and greatly dependent on "school-of-thought" practiced by a particular research group. In the last 3-5 years, due to significant efforts of global and regional CO2 monitoring networks (e.g., FluxNet, Ameriflux, Carbo-Europe, ICOS, etc.) and technological developments, the flux station methodology became fairly standardized and processing protocols became quite uniform [1]. A majority of current stations compute CO2 emission rates using the eddy covariance method, one of the most direct and defensible micrometeorological techniques [1]. Presently, over 600 such flux stations are in operation in over 120 countries, using permanent and mobile towers or moving platforms (e.g., automobiles, helicopters, and airplanes). Atmospheric monitoring of emission rates using such stations is now recognized as an effective method in regulatory and industrial applications, including carbon storage [2-8]. Emerging projects utilize flux stations to continuously monitor large areas before and after the injections, to locate and

  7. Gray Wolf (Canis lupus) movements and behavior around a kill site and implications for GPS collar studies

    Science.gov (United States)

    Mech, L. David

    2011-01-01

    Global Positioning System (GPS) radio-collars are increasingly used to estimate Gray Wolf (Canis lupus) kill rates. In interpreting results from this technology, researchers make various assumptions about wolf behavior around kills, yet no detailed description of this behavior has been published. This article describes the behavior of six wolves in an area of constant daylight during 30 hours, from when the pack killed a Muskox (Ovibos moschatus) calf and yearling on Ellesmere Island, Nunavut, Canada, to when they abandoned the kill remains. Although this is only a single incident, it demonstrates one possible scenario of pack behavior around a kill. Combined with the literature, this observation supports placing a radio-collar on the breeding male to maximize finding kills via GPS collars and qualifying results depending on whatever other information is available about the collared wolf's pack.

  8. Steam Reforming of CH4 Using Ni- Substituted Pyrochlore Catalysts

    Science.gov (United States)

    Haynes, Daniel J.

    less lanthanum at the surface. Comparing the XANES and EXAFS profiles for the supported and substituted Ni catalysts showed no detectable difference between the spectra, further confirming the Ni to be present as NiO after substitution. Activity testing found the NiO on the surface to be the active catalytic form. However, the Ni proved to be highly sensitive to sintering and oxidation by steam, especially under high pressures (1.8 MPa), which caused all catalysts to suffer irreversible activity loss. Low reaction pressures (0.23 MPa) elicited an activation effect in which the Ni initially lost activity, but then recovered to near equilibrium yields after nearly 10 hours time on stream. The activation was correlated with an increase in Ni particle size, as observed by XRD. It is speculated from similar behavior reported in the literature that ability to recovery activity was linked to a redox cycling of the Ni particles under reaction conditions, in which a small amount of the Ni was redistributed over the surface through the volatilization with steam, as well as the exsolution of the Sr from the structure which helped stabilize the Ni. A comparison of the supported and substituted forms of Ni showed the substituted form to have a weaker interaction with the pyrochlore surface, which is the likely cause for the rapid sintering and deactivation by steam. It was also found that the substitution of more Sr into the structure produced only strong basic sites, which resulted in a lower degree of activity loss and more stable activity under high pressure conditions (1.8 MPa) compared to the catalyst with less Sr. Carbon formation was not an issue for these materials, due to the rapid sintering and oxidation of the metal in-situ. Fitting the Ni particle size growth with time showed a parabolic relationship with growth proportional to time by the power 0.28. This value is close to results observed in the literature which indicates the Ni agglomerates via atomic migration.

  9. Magnetic and dielectric studies of Fe substituted sillenite phase bismuth cobaltite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Ray, J.; Biswal, A.K.; Kuila, S.; Vishwakarma, P.N., E-mail: prakashn@nitrkl.ac.in

    2015-06-05

    Highlights: • The samples prepared under ambient conditions, crystalizes in sillenite phase. • Ferrimagnetic ordering in BCO occurs at 30 K, with no bifurcation in ZFC and FC. • BCFO shows large bifurcation in ZFC and FC data as the sample is cooled down. • Dielectric loss improves by one order when 50% of cobalt is replaced with Fe. • Well distinguished extrinsic and intrinsic contributions in BCO and BCFO are seen. - Abstract: (Bi{sub 13}Co{sub 12})CoO{sub 40} (BCO) and (Bi{sub 13}Co{sub 5.5}Fe{sub 6.5})CoO{sub 40} (BCFO) nanoparticles are prepared by sol–gel auto combustion method. The X-ray diffraction study (XRD) reveals cubic crystal structure with space group I23. Surface scanning via atomic force microscopy shows the particle size decreases from 100 nm to 75 nm on partially substituting Fe at Co site. At room temperature, BCO is paramagnetic and shows signature of magnetic ordering at 30 K, which seems to be competing paramagnetic and antiferromagnetic behavior. No sign of magnetic disorder is seen, though indication of magnetic frustration is seen. Interestingly, the Fe substituted BCFO shows large magnetic disorder (even at room temperature) with strengthening ferromagnetic ordering as the temperature is lowered. The low temperature dielectric and magnetodielectric measurement shows dominance of extrinsic contributions, through-out the temperature range for BCO. For BCFO, the behavior may be divided under two regions viz., intrinsic (<260 K) and extrinsic (>260 K). Relaxation in both the regions is described by Arrhenius behavior with activation energies 0.25 eV and 0.04 eV in the extrinsic and intrinsic regions respectively. Most interestingly, the dielectric loss decreases by one order for Fe substituted sample. The Haverliak–Negami equation is found to better describe the observed relaxation data.

  10. Magnetic and dielectric studies of Fe substituted sillenite phase bismuth cobaltite nanoparticles

    International Nuclear Information System (INIS)

    Ray, J.; Biswal, A.K.; Kuila, S.; Vishwakarma, P.N.

    2015-01-01

    Highlights: • The samples prepared under ambient conditions, crystalizes in sillenite phase. • Ferrimagnetic ordering in BCO occurs at 30 K, with no bifurcation in ZFC and FC. • BCFO shows large bifurcation in ZFC and FC data as the sample is cooled down. • Dielectric loss improves by one order when 50% of cobalt is replaced with Fe. • Well distinguished extrinsic and intrinsic contributions in BCO and BCFO are seen. - Abstract: (Bi 13 Co 12 )CoO 40 (BCO) and (Bi 13 Co 5.5 Fe 6.5 )CoO 40 (BCFO) nanoparticles are prepared by sol–gel auto combustion method. The X-ray diffraction study (XRD) reveals cubic crystal structure with space group I23. Surface scanning via atomic force microscopy shows the particle size decreases from 100 nm to 75 nm on partially substituting Fe at Co site. At room temperature, BCO is paramagnetic and shows signature of magnetic ordering at 30 K, which seems to be competing paramagnetic and antiferromagnetic behavior. No sign of magnetic disorder is seen, though indication of magnetic frustration is seen. Interestingly, the Fe substituted BCFO shows large magnetic disorder (even at room temperature) with strengthening ferromagnetic ordering as the temperature is lowered. The low temperature dielectric and magnetodielectric measurement shows dominance of extrinsic contributions, through-out the temperature range for BCO. For BCFO, the behavior may be divided under two regions viz., intrinsic (<260 K) and extrinsic (>260 K). Relaxation in both the regions is described by Arrhenius behavior with activation energies 0.25 eV and 0.04 eV in the extrinsic and intrinsic regions respectively. Most interestingly, the dielectric loss decreases by one order for Fe substituted sample. The Haverliak–Negami equation is found to better describe the observed relaxation data

  11. Detecting coevolving amino acid sites using Bayesian mutational mapping

    DEFF Research Database (Denmark)

    Dimmic, Matthew W.; Hubisz, Melissa J.; Bustamente, Carlos D.

    2005-01-01

    Motivation: The evolution of protein sequences is constrained by complex interactions between amino acid residues. Because harmful substitutions may be compensated for by other substitutions at neighboring sites, residues can coevolve. We describe a Bayesian phylogenetic approach to the detection...

  12. Engagement and Knowledge Building in an Afterschool STEM Club: Analyzing Youth and Facilitator Posting Behavior on a Social Networking Site

    Science.gov (United States)

    Won, Samantha G. L.; Evans, Michael A.; Huang, Lixiao

    2017-01-01

    Social networking sites (SNSs) are popular technologies used frequently among youth for recreational purposes. Increasing attention has been paid to the use of SNSs in educational settings as a way to engage youth interest and encourage academically productive discussion. Potential affordances of using SNSs for education include knowledge…

  13. Assessing Middle School Students' Knowledge of Conduct and Consequences and Their Behaviors regarding the Use of Social Networking Sites

    Science.gov (United States)

    Kite, Stacey L.; Gable, Robert; Filippelli, Lawrence

    2010-01-01

    Cyberbullying and threats of Internet predators, not to mention the enduring consequences of postings, may lead to dangerous, unspeakable consequences. Cyberbullying and threats of Internet predators through social networking sites and instant messaging programs are initiating numerous problems for parents, school administrators, and law…

  14. The success of viral ads : Social and attitudinal predictors of consumer pass-on behavior on social network sites

    NARCIS (Netherlands)

    Ketelaar, Paul; Janssen, Loes; Vergeer, Maurice; van Reijmersdal, E.A.; Crutzen, Rik; van 't Riet, Jonathan

    2016-01-01

    This study investigates which factors predict whether consumers will pass on viral advertising communications to their friends on a social network site. A conceptual framework consisting of three attitudinal and three social predictors of forwarding online content was tested using three real-life

  15. The success of viral ads: social and attitudinal predictors of consumer pass-on behavior on social network sites

    NARCIS (Netherlands)

    Ketelaar, P.E.; Janssen, L.; Vergeer, M.; van Reijmersdal, E.A.; Crutzen, R.; van 't Riet, J.

    This study investigates which factors predict whether consumers will pass on viral advertising communications to their friends on a social network site. A conceptual framework consisting of three attitudinal and three social predictors of forwarding online content was tested using three real-life

  16. The success of viral ads: Social and attitudinal predictors of consumer pass-on behavior on social network sites

    NARCIS (Netherlands)

    Ketelaar, P.E.; Janssen, L.; Vergeer, M.R.M.; Reijmersdal, E.A. van; Crutzen, R.M.M.; Riet, J.P. van 't

    2016-01-01

    This study investigates which factors predict whether consumers will pass on viral advertising communications to their friends on a social network site. A conceptual framework consisting of three attitudinal and three social predictors of forwarding online content was tested using three real-life

  17. N-substituted iminodiacetic acids

    International Nuclear Information System (INIS)

    Nunn, A.; Loberg, M.

    1982-01-01

    The chemical preparation of several new N-substituted iminodiacetic acid derivatives are described. These compounds when complexed with sup(99m)Tc provide useful radiopharmaceuticals for the external imaging of the hepatobiliary system. (U.K.)

  18. Modeling of flux, binding and substitution of urea molecules in the urea transporter dvUT.

    Science.gov (United States)

    Zhang, Hai-Tian; Wang, Zhe; Yu, Tao; Sang, Jian-Ping; Zou, Xian-Wu; Zou, Xiaoqin

    2017-09-01

    Urea transporters (UTs) are transmembrane proteins that transport urea molecules across cell membranes and play a crucial role in urea excretion and water balance. Modeling the functional characteristics of UTs helps us understand how their structures accomplish the functions at the atomic level, and facilitates future therapeutic design targeting the UTs. This study was based on the crystal structure of Desulfovibrio vulgaris urea transporter (dvUT). To model the binding behavior of urea molecules in dvUT, we constructed a cooperative binding model. To model the substitution of urea by the urea analogue N,N'-dimethylurea (DMU) in dvUT, we calculated the occupation probability of DMU along the urea pore and the ratio of the occupation probabilities of DMU at the external (S ext ) and internal (S int ) binding sites, and we established the mutual substitution rule for binding and substitution of urea and DMU. Based on these calculations and modelings, together with the use of the Monte Carlo (MC) method, we further modeled the urea flux in dvUT, equilibrium urea binding to dvUT, and the substitution of urea by DMU in the dvUT. Our modeling results are in good agreement with the existing experimental functional data. Furthermore, the modelings have discovered the microscopic process and mechanisms of those functional characteristics. The methods and the results would help our future understanding of the underlying mechanisms of the diseases associated with impaired UT functions and rational drug design for the treatment of these diseases. Copyright © 2017 Elsevier Inc. All rights reserved.

  19. Commercial formalin substitutes for histopathology

    DEFF Research Database (Denmark)

    Prentø, P; Lyon, H

    1997-01-01

    We compared the performance of six commercial fixatives proposed to be formalin substitutes with the performance of buffered formalin, Clarke's ethanol-acetic acid, and ethanol, using rat liver, small intestine, and kidney. We investigated the rate of penetration, mode of fixation, extent of prot...... was obtained by combining formalin fixation with antigen retrieval. We conclude that none of the proposed commercial substitutes for buffered formalin are adequate for critical histology or histopathology....

  20. Stores, Prices, and Currency Substitution

    OpenAIRE

    Gabriele, Camera; Winkler, Johannes

    1999-01-01

    We study endogenous currency substitution in a decentralized trade environment. Sellers maximize profits from sales of imperfectly substitutable goods by posting prices in either one of two currencies. A unique symmetric equilibrium exists where goods are priced only in the local currency. This occurs if foreign trade is sporadic, there is sufficient but not excessive liquidity, and discounting is low. Excess or scarcity of liquidity, however, induces sellers to extract all surplus from bu...

  1. Substitution reactions of technetium complexes

    International Nuclear Information System (INIS)

    Omori, T.

    1997-01-01

    Substitution reactions of a series of technetium complexes are considered in comparison with corresponding reactions of rhenium. Rhenium and technetium complexes are rather inert in substitution reactions, the latter are characterized by greater rate constants when they proceed according to dissociative mechanism. In rare cases when k Tc /k Re id little it is assumed that the reaction proceeds according to the associative mechanism. (author)

  2. IMPORT SUBSTITUTION IN THE CONSTRUCTION AND IN INDUSTRIAL PODUCTION: ACCORDING TO OPINION POLL RESULTS

    Directory of Open Access Journals (Sweden)

    Pryadko Igor' Petrovich

    2016-03-01

    Full Text Available The authors addressed matters related to import substitution, which are widely discussed in the crisis period on different levels of economic management. The interrelation of import substitu-tion and solution of one of the main tasks of Rus-sian economy - diversification - is pointed out. The authors made an attempt to disperse some stereo-types, which were formed in mass consciousness concerning substitution of import ware. Patriotism is considered as one of the factors of consumer behavior.

  3. Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties.

    Science.gov (United States)

    King, Amber M; Salomé, Christophe; Salomé-Grosjean, Elise; De Ryck, Marc; Kaminski, Rafal; Valade, Anne; Stables, James P; Kohn, Harold

    2011-10-13

    Recently, we reported that select N'-benzyl 2-substituted 2-amino acetamides (primary amino acid derivatives (PAADs)) exhibited pronounced activities in established whole animal anticonvulsant (i.e., maximal electroshock seizure (MES)) and neuropathic pain (i.e., formalin) models. The anticonvulsant activities of C(2)-hydrocarbon N'-benzyl 2-amino acetamides (MES ED(50) = 13-21 mg/kg) exceeded those of phenobarbital (ED(50) = 22 mg/kg). Two additional studies defining the structure-activity relationship of PAADs are presented in this issue of the journal. In this study, we demonstrated that the anticonvulsant activities of (R)-N'-benzyl 2-amino-3-methylbutanamide and (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide were sensitive to substituents at the 4'-N'-benzylamide site; electron-withdrawing groups retained activity, electron-donating groups led to a loss of activity, and incorporating either a 3-fluorobenzyloxy or 3-fluorophenoxymethyl group using a rationally designed multiple ligand approach improved activity. Additionally, we showed that substituents at the 4'-N'-benzylamide site of (R)-N'-benzyl 2-amino-3-methoxypropionamide also improved anticonvulsant activity, with the 3-fluorophenoxymethyl group providing the largest (∼4-fold) increase in activity (ED(50) = 8.9 mg/kg), a value that surpassed phenytoin (ED(50) = 9.5 mg/kg). Collectively, the pharmacological findings provided new information that C(2)-hydrocarbon PAADs represent a novel class of anticonvulsants.

  4. The behavior of the critical current density below and above the first matching field in superconductors with periodic square arrays of pinning sites

    International Nuclear Information System (INIS)

    Obaidat, I.M.; Al Khawaja, U.; Benkraouda, M.; Salmeen, N.

    2006-01-01

    We have studied the effect of the applied magnetic field on critical depinning force at zero and finite temperatures and for several values of pinning strength. This was achieved by conducting extensive series of molecular dynamic simulations on driven vortex lattices interacting with periodic square arrays of pinning sites. We have found that the critical depinning force decreases as the applied magnetic field is increased. We have also observed two distinct behaviors of dependence of the critical depinning force on the applied magnetic field below and above the first matching filed

  5. Evidence for foraging -site fidelity and individual foraging behavior of pelagic cormorants rearing chicks in the gulf of Alaska

    Science.gov (United States)

    Kotzerka, J.; Hatch, Shyla A.; Garthe, S.

    2011-01-01

    The Pelagic Cormorant (Phalacrocorax pelagicus) is the most widespread cormorant in the North Pacific, but little is known about its foraging and diving behavior. However, knowledge of seabirds' foraging behavior is important to understanding their function in the marine environment. In 2006, using GPS dataloggers, we studied the foraging behavior of 14 male Pelagic Cormorants rearing chicks on Middleton Island, Alaska. For foraging, the birds had high fidelity to a small area 8 km north of the colony. Within that area, the cormorants' diving activity was of two distinct kinds-near-surface dives (1-6 m) and benthic dives (28-33 m). Individuals were consistent in the depths of their dives, either mostly shallow or mostly deep. Few showed no depth preference. Dive duration, time at maximum depth, and pauses at the water surface between consecutive dives were shorter for shallow dives than for deep dives. The cormorants made dives of both types throughout the day, but the frequency of deep dives increased toward evening. Maximum foraging range was 9 km; maximum total distance traveled per trip was 43.4 km. Trip durations ranged from 0.3 to 7.7 hr. Maximum depth of a dive was 42.2 m, and duration of dives ranged from 4 to 120 sec. We found that Pelagic Cormorants at Middleton Island were faithful to one particular foraging area and individuals dived in distinct patterns. Distinct, specialized foraging behavior may be advantageous in reducing intra- and interspecific competition but may also render the species vulnerable to changing environmental conditions. Copyright ?? The Cooper Ornithological Society 2011.

  6. Packing and Disorder in Substituted Fullerenes

    KAUST Repository

    Tummala, Naga Rajesh

    2016-07-15

    Fullerenes are ubiquitous as electron-acceptor and electron-transport materials in organic solar cells. Recent synthetic strategies to improve the solubility and electronic characteristics of these molecules have translated into a tremendous increase in the variety of derivatives employed in these applications. Here, we use molecular dynamics (MD) simulations to examine the impact of going from mono-adducts to bis- and tris-adducts on the structural, cohesive, and packing characteristics of [6,6]-phenyl-C60-butyric acid methyl ester (PCBM) and indene-C60. The packing configurations obtained at the MD level then serve as input for density functional theory calculations that examine the solid-state energetic disorder (distribution of site energies) as a function of chemical substitution. The variations in structural and site-energy disorders reflect the fundamental materials differences among the derivatives and impact the performance of these materials in thin-film electronic devices.

  7. Structure and magnetic properties of Zr–Mn substituted strontium ...

    Indian Academy of Sciences (India)

    2Department of Materials Engineering, Najafabad Branch, Islamic Azad ... ions prefer to occupy both 4f1 and 2b however, at higher level of substitution, they prefer exclusively 4f1 site. ... Up to authors' knowledge, the effect of Zr–Mn substitu-.

  8. 76 FR 41685 - Electronic Substitutions for Form SSA-538

    Science.gov (United States)

    2011-07-15

    ... visit our Internet site, Social Security Online, at http://www.socialsecurity.gov . SUPPLEMENTARY... SOCIAL SECURITY ADMINISTRATION 20 CFR Part 416 [Docket No. SSA-2009-0027] RIN 0960-AH02 Electronic Substitutions for Form SSA-538 AGENCY: Social Security Administration. ACTION: Final rule with request for...

  9. Pestiferous nature, resting sites, aggregation, and host-seeking behavior of the eye fly Siphunculina funicola (Diptera: Chloropidae) in Thailand.

    Science.gov (United States)

    Mulla, Mir S; Chansang, Uruyakorn

    2007-12-01

    Species of eye flies and eye gnats (Diptera: Chloropidae) are severe and persistent pests of man, domestic and wild animals, and potential vectors of pathogens. The species prevailing in the Oriental region belong to the genus Siphunculina, while those in the Neotropic and Nearctic regions belong to Liohippelates and Hippelates. These are small insects of 1-2 mm that feed on wounds, lacerations, scratches, and mucous membranes of man and higher animals. One species, Siphunculina funicola, commonly known as the Oriental eye fly, is considered the most anthropophilic in the genus, with potential involvement in the spread and mechanical transmission of infectious agents to humans and animals. Very little is known about the biology, prevalence, host-seeking, and aggregation behavior of this species in South and Southeast Asia. We initiated studies on biological aspects of this potential vector and human pest in central Thailand. The most significant findings of our study were the aggregation behaviors of S. funicola, that both sexes attack hosts, and that males outnumbered females attacking humans, dogs, and other domestic animals. They feed on wounds, scabs, lacerations, eyes, and mucous membranes. They hover around and feed on hosts during the daylight hours when host-seeking activities are more pronounced at temperatures above 25-27 degrees C under calm conditions. We noted that large masses of males and females aggregated on a variety of hanging objects such as strings, trailings, electrical lines, decorations, ropes, twines, abandoned cob webs, clothes hangers, and other hanging substrates in open shade of structures and dwellings. This behavior of eye flies brings them closer to human and animal hosts. In these aggregations, both males and females were present, with mating pairs frequently noted. In the aggregations, about 37% of the females had fully developed eggs in the rainy season, but only <1-3.6% were gravid in the hot and dry season. The average number of

  10. The history of the Gorleben site as a basis for the long-term behavior of a barrier system

    International Nuclear Information System (INIS)

    Jaritz, W.

    1994-01-01

    The following processes that took place during the development of the Gorleben salt dome and their mutual relationships are examined and correlated with the geological time scale: Tectonics and epirogenesis, eustatic changes, chemical and mineralogical changes in the salt formation, halokinetic history, subsurface solution at the top of the salt dome, history of formation of the cap rock, sedimentation and erosion above the salt dome and the glacial impact on the site. A prediction of the evolution of the salt dome in the near geological future can be derived from consideration of each of these factors. (orig.) [de

  11. Approaches in Substitution of Organic Solvents

    DEFF Research Database (Denmark)

    Jacobsen, Thomas

    2000-01-01

    In substitution of harmful chemicals or products with less harmful or harmless ones, there are different approaches according to the different situations, the technical requirements to the substitutes, and the goals for the substitution. Three different cases are presented. The substitution process...

  12. Does Facebook promote self-interest? Enactment of indiscriminate one-to-many communication on online social networking sites decreases prosocial behavior.

    Science.gov (United States)

    Chiou, Wen-Bin; Chen, Szu-Wei; Liao, Da-Chi

    2014-02-01

    Abstract Communication tools on social networking sites (SNSs) provide users with an efficient way to distribute information to the public and/or their friends simultaneously. In this article, we show that this kind of indiscriminate one-to-many (i.e., monologue) communication, in which the diverse interests of recipients are not considered, may induce a tendency toward egocentrism that interferes with other-oriented concerns, resulting in a reduced inclination to display prosocial behavior. In Experiment 1, participants induced to post a public communication subsequently allocated less money to anonymous strangers in the dictator game than did control participants. In Experiment 2, participants directing a post about participation in an experiment to their Facebook friends volunteered to help code fewer data sheets than did controls. Moreover, an egocentric state was shown to mediate the relationship between indiscriminate one-to-many communication and helping behavior. We provide the first demonstration that indiscriminate one-to-many communication on online social networks may be associated with a tendency toward self-interest. Our results suggest that the prevalence of monologue communication on SNSs may induce an egocentric tendency that undermines the likelihood of prosocial behavior.

  13. Characterization of the corrosion behavior of the carbon steel liner in Hanford Site single-shell tanks

    International Nuclear Information System (INIS)

    Anantatmula, R.P.; Schwenk, E.B.; Danielson, M.J.

    1994-06-01

    Six safety initiatives have been identified for accelerating the resolution of waste tank safety issues and closure of unreviewed safety questions. Safety Initiative 5 is to reduce safety and environmental risk from tank leaks. Item d of Safety Initiative 5 is to complete corrosion studies of single-shell tanks to determine failure mechanisms and corrosion control options to minimize further degradation by June 1994. This report has been prepared to fulfill Safety Initiative 5, Item d. The corrosion mechanisms that apply to Hanford Site single-shell tanks are stress corrosion cracking, pitting/crevice corrosion, uniform corrosion, hydrogen embrittlement, and microbiologically influenced corrosion. The corrosion data relevant to the single-shell tanks dates back three decades, when results were obtained from in-situ corrosion coupons in a few single-shell tanks. Since that time there have been intertank transfers, evaporation, and chemical alterations of the waste. These activities have changed the character and the present composition of the waste is not well characterized. All conclusions and recommendations are made in the absence of relevant laboratory experimental data and tank inspection data. The report attempts to identify the failure mechanisms by a literature survey of carbon steel data in environments similar to the single-shell tank wastes, and by a review of the work performed at the Savannah River Site where similar wastes are stored in similar carbon steel tanks. Based on these surveys, and in the absence of data specific to Hanford single-shell tanks, it may be concluded that the single-shell tanks identified as leakers failed primarily by stress corrosion cracking due to the presence of high nitrate/low hydroxide wastes and residual stresses. In addition, some failures may be attributed to pitting under crevices in low hydroxide locations

  14. Anomalous behavior of the magnetic hyperfine field at 140Ce impurities at La sites in LaMnSi2

    Science.gov (United States)

    Domienikan, C.; Bosch-Santos, B.; Cabrera-Pasca, G. A.; Saxena, R. N.; Carbonari, A. W.

    2018-05-01

    Magnetic hyperfine field has been measured in the orthorhombic intermetallic compound LaMnSi2 with perturbed angular correlation (PAC) spectroscopy using radioactive 140La(140Ce) nuclear probes. Magnetization measurements were also carried out in this compound with MPSM-SQUID magnetometer. Samples of LaMnSi2 compound were prepared by arc melting the component metals with high purity under argon atmosphere followed by annealing at 1000°C for 60 h under helium atmosphere and quenching in water. X-ray analysis confirmed the samples to be in a single phase with correct crystal structure expected for LaMnSi2 compound. The radioactive 140La (T1/2 = 40 h) nuclei were produced by direct irradiation of the sample with neutrons in the IEA-R1 nuclear research reactor at IPEN with a flux of ˜ 1013 n cm-2s-1 for about 3 - 4 min. The PAC measurements were carried out with a six BaF2 detector spectrometer at several temperatures between 10 K and 400 K. Temperature dependence of the hyperfine field, Bhf was found to be anomalous. A modified two-state model explained this anomalous behavior where the effective magnetic hyperfine field at 140Ce is believed to have two contributions, one from the unstable localized spins at Ce impurities and another from the magnetic Mn atoms of the host. The competition of these two contributions explains the anomalous behavior observed for the temperature dependence of the magnetic hyperfine field at 140Ce. The ferromagnetic transition temperature (TC) of LaMnSi2 was determined to be 400(1) K confirming the magnetic measurements.

  15. Carbonate hydroxyapatite and silicon-substituted carbonate hydroxyapatite

    DEFF Research Database (Denmark)

    Bang, L T; Long, B D; Othman, R

    2014-01-01

    The present study investigates the chemical composition, solubility, and physical and mechanical properties of carbonate hydroxyapatite (CO3Ap) and silicon-substituted carbonate hydroxyapatite (Si-CO3Ap) which have been prepared by a simple precipitation method. X-ray diffraction (XRD), Fourier......(3-)) site and also entered simultaneously into the hydroxyapatite structure. The Si-substituted CO3Ap reduced the powder crystallinity and promoted ion release which resulted in a better solubility compared to that of Si-free CO3Ap. The mean particle size of Si-CO3Ap was much finer than that of CO3Ap...

  16. Synthesis, characterization and modelling of zinc and silicate co-substituted hydroxyapatite.

    Science.gov (United States)

    Friederichs, Robert J; Chappell, Helen F; Shepherd, David V; Best, Serena M

    2015-07-06

    Experimental chemistry and atomic modelling studies were performed here to investigate a novel ionic co-substitution in hydroxyapatite (HA). Zinc, silicate co-substituted HA (ZnSiHA) remained phase pure after heating to 1100 °C with Zn and Si amounts of 0.6 wt% and 1.2 wt%, respectively. Unique lattice expansions in ZnSiHA, silicate Fourier transform infrared peaks and changes to the hydroxyl IR stretching region suggested Zn and silicate co-substitution in ZnSiHA. Zn and silicate insertion into HA was modelled using density functional theory (DFT). Different scenarios were considered where Zn substituted for different calcium sites or at a 2b site along the c-axis, which was suspected in singly substituted ZnHA. The most energetically favourable site in ZnSiHA was Zn positioned at a previously unreported interstitial site just off the c-axis near a silicate tetrahedron sitting on a phosphate site. A combination of experimental chemistry and DFT modelling provided insight into these complex co-substituted calcium phosphates that could find biomedical application as a synthetic bone mineral substitute. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

  17. Synthesis, characterization and modelling of zinc and silicate co-substituted hydroxyapatite

    Science.gov (United States)

    Friederichs, Robert J.; Chappell, Helen F.; Shepherd, David V.; Best, Serena M.

    2015-01-01

    Experimental chemistry and atomic modelling studies were performed here to investigate a novel ionic co-substitution in hydroxyapatite (HA). Zinc, silicate co-substituted HA (ZnSiHA) remained phase pure after heating to 1100°C with Zn and Si amounts of 0.6 wt% and 1.2 wt%, respectively. Unique lattice expansions in ZnSiHA, silicate Fourier transform infrared peaks and changes to the hydroxyl IR stretching region suggested Zn and silicate co-substitution in ZnSiHA. Zn and silicate insertion into HA was modelled using density functional theory (DFT). Different scenarios were considered where Zn substituted for different calcium sites or at a 2b site along the c-axis, which was suspected in singly substituted ZnHA. The most energetically favourable site in ZnSiHA was Zn positioned at a previously unreported interstitial site just off the c-axis near a silicate tetrahedron sitting on a phosphate site. A combination of experimental chemistry and DFT modelling provided insight into these complex co-substituted calcium phosphates that could find biomedical application as a synthetic bone mineral substitute. PMID:26040597

  18. 40 CFR 721.2577 - Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine...

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Copper complex of (substituted... Copper complex of (substituted sulfonaphthyl azo substituted phenyl) disulfonaphthyl azo, amine salt... substances identified generically as copper complex of (substituted sulfonaphthyl azo substituted phenyl...

  19. Substituted decision making: elder guardianship.

    Science.gov (United States)

    Leatherman, Martha E; Goethe, Katherine E

    2009-11-01

    The goal of this column is to help experienced clinicians navigate the judicial system when they are confronted with requests for capacity evaluations that involve guardianship (conservatorship). The interface between the growing elderly medical population and increasing requests for substituted decision making is becoming more complex. This column will help practicing psychiatrists understand the medical, legal, and societal factors involved in adult guardianship. Such understanding is necessary in order to effectively perform guardianship evaluations and adequately inform courts, patients, and families about the psychiatric diagnoses central to substituted decision making.

  20. Effects of a Tobacco-Free Work Site Policy on Employee Tobacco Attitudes and Behaviors, Travis County, Texas, 2010-2012.

    Science.gov (United States)

    Seidel, Sarah E; Metzger, Kristi; Guerra, Andrea; Patton-Levine, Jessie; Singh, Sandeepkumar; Wilson, William T; Huang, Philip

    2017-12-14

    The adoption of tobacco-free policies in behavioral health settings is an important step in reducing staff tobacco use as well as the high rates of tobacco use among people with mental illness and behavioral disorders. Studies have demonstrated the importance of staff support when implementing tobacco-free workplace policies, but there is limited research examining tobacco use prevalence among staff and staff attitude before and after policy adoption. Integral Care, a local authority for behavioral health and developmental disabilities in Austin, Texas, and Austin Public Health embarked on a comprehensive planning process before implementing a 100% tobacco-free campus policy. The objectives were 1) assess staff tobacco use and attitudes toward a tobacco-free policy, 2) communicate policy to staff, 3) provide staff education and training, and 4) provide cessation resources. Integral Care and Austin Public Health conducted a web-based employee survey 6 months before and 6 and 12 months after implementation of the policy to measure tobacco use prevalence and attitudes among employees. Employees had significant improvements in tobacco use prevalence and attitudes toward the tobacco-free policy from pre-implementation to post-implementation. Tobacco use prevalence among staff decreased from 27.6% to 13.8%, and support for the policy increased from 60.6% to 80.3% at 12 months post-implementation. Adoption of 100% tobacco-free campus policies in behavioral health settings can result in significant reductions in staff tobacco use. Leadership should provide staff with education, training, and cessation support before adoption of tobacco-free work site policies to ensure success.

  1. Substitution determination of Fmoc‐substituted resins at different wavelengths

    Science.gov (United States)

    Kley, Markus; Bächle, Dirk; Loidl, Günther; Meier, Thomas; Samson, Daniel

    2017-01-01

    In solid‐phase peptide synthesis, the nominal batch size is calculated using the starting resin substitution and the mass of the starting resin. The starting resin substitution constitutes the basis for the calculation of a whole set of important process parameters, such as the number of amino acid derivative equivalents. For Fmoc‐substituted resins, substitution determination is often performed by suspending the Fmoc‐protected starting resin in 20% (v/v) piperidine in DMF to generate the dibenzofulvene–piperidine adduct that is quantified by ultraviolet–visible spectroscopy. The spectrometric measurement is performed at the maximum absorption wavelength of the dibenzofulvene–piperidine adduct, that is, at 301.0 nm. The recorded absorption value, the resin weight and the volume are entered into an equation derived from Lambert–Beer's law, together with the substance‐specific molar absorption coefficient at 301.0 nm, in order to calculate the nominal substitution. To our knowledge, molar absorption coefficients between 7100 l mol−1 cm−1 and 8100 l mol−1 cm−1 have been reported for the dibenzofulvene–piperidine adduct at 301.0 nm. Depending on the applied value, the nominal batch size may differ up to 14%. In this publication, a determination of the molar absorption coefficients at 301.0 and 289.8 nm is reported. Furthermore, proof is given that by measuring the absorption at 289.8 nm the impact of wavelength accuracy is reduced. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd. PMID:28635051

  2. Substitution determination of Fmoc-substituted resins at different wavelengths.

    Science.gov (United States)

    Eissler, Stefan; Kley, Markus; Bächle, Dirk; Loidl, Günther; Meier, Thomas; Samson, Daniel

    2017-10-01

    In solid-phase peptide synthesis, the nominal batch size is calculated using the starting resin substitution and the mass of the starting resin. The starting resin substitution constitutes the basis for the calculation of a whole set of important process parameters, such as the number of amino acid derivative equivalents. For Fmoc-substituted resins, substitution determination is often performed by suspending the Fmoc-protected starting resin in 20% (v/v) piperidine in DMF to generate the dibenzofulvene-piperidine adduct that is quantified by ultraviolet-visible spectroscopy. The spectrometric measurement is performed at the maximum absorption wavelength of the dibenzofulvene-piperidine adduct, that is, at 301.0 nm. The recorded absorption value, the resin weight and the volume are entered into an equation derived from Lambert-Beer's law, together with the substance-specific molar absorption coefficient at 301.0 nm, in order to calculate the nominal substitution. To our knowledge, molar absorption coefficients between 7100 l mol -1  cm -1 and 8100 l mol -1  cm -1 have been reported for the dibenzofulvene-piperidine adduct at 301.0 nm. Depending on the applied value, the nominal batch size may differ up to 14%. In this publication, a determination of the molar absorption coefficients at 301.0 and 289.8 nm is reported. Furthermore, proof is given that by measuring the absorption at 289.8 nm the impact of wavelength accuracy is reduced. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd. © 2017 The Authors Journal of Peptide Science published by European Peptide Society and John Wiley & Sons Ltd.

  3. Pediatric provider processes for behavioral health screening, decision making, and referral in sites with colocated mental health services.

    Science.gov (United States)

    Hacker, Karen; Goldstein, Joel; Link, David; Sengupta, Nandini; Bowers, Rachael; Tendulkar, Shalini; Wissow, Larry

    2013-01-01

    Validated behavioral health (BH) screens are recommended for use at well-child visits. This study aimed to explore how pediatricians experience and use these screens for subsequent care decisions in primary care. The study took place at 4 safety net health centers. Fourteen interviews were conducted with pediatricians who were mandated to use validated BH screens at well-child visits. Interview questions focused on key domains, including clinic BH context, screening processes, assessment of screening scores, and decision making about referral to mental health services. Qualitative analysis used the Framework Approach. A variety of themes emerged: BH screens were well accepted and valued for the way they facilitated discussion of mental health issues. However, screening results were not always used in the way that instrument designers intended. Providers' beliefs about the face validity of the instruments, and their observations about performance of instruments, led to discounting scored results. As a result, clinical decisions were made based on a variety of evidence, including individual item responses, parent or patient concerns, and perceived readiness for treatment. Additionally, providers, although interested in expanding their mental health discussions, perceived a lack of time and of their own skills to be major obstacles in this pursuit. Screens act as important prompts to stimulate discussion of BH problems, but their actual scored results play a variable role in problem identification and treatment decisions. Modifications to scheduling policies, additional provider training, and enhanced collaboration with mental health professionals could support better BH integration in pediatric primary care.

  4. HIV preventive behavior and associated factors among mining workers in Sali traditional gold mining site Bench Maji zone, Southwest Ethiopia: a cross sectional study.

    Science.gov (United States)

    Abdissa, Hordofa Gutema; Lemu, Yohannes Kebede; Nigussie, Dejene Tilahun

    2014-09-26

    Prevalence of HIV and other STI is high among migrant mining workers due to factors such as dangerous working conditions, only masculine identities existence, living away from families, desolate and in hospitable place. This makes them known to be HIV and STI vulnerable group in different part of the world. But, in Ethiopia they were not thought as at risk group yet. So the aim of this study is to assess magnitude of HIV preventive behaviours and associated factors among gold miners in Sali traditional gold mining site. A cross sectional study was conducted to assess HIV preventive behavior of the mining worker. The data were collected using interviewer administered structured questionnaire adapted from other related behavioural studies. The data was entered using EPI data version 3.1 and analyzed using SPSS version 17. Multiple logistic regression was used to assess relationship of HIV preventive behavior with constructs of health belief model. A total of 393 respondents with response rate of 93.12% were participated. All of the study participants were male 393(100%), the mean age of the participant was 24.0 (± 5.13SD). Less than half of the respondents 187(47.6%) were engaged in HIV preventive behavior. Less than half (45.3%) of them have high perceived susceptibility to HIV/AIDS; majority (62.8%) of them has high perceived severity to HIV/AIDS. HIV preventive behavior is negatively associated with being in middle, higher and highest income [OR = 0.54, 95% CI: 0.21, 0.74], [OR = 0.40, 95% CI: 0.30, 0.98] and [OR = 0.39, 95% CI: 0.20, 0.77] respectively and positively associated with Completing secondary, tertiary school and self efficacy [OR = 2.66, 95% CI: 1.11, 6.41], [OR = 5.40, 95% CI: 1.54, 19] and [OR = 1.88, 95% CI: 1.18, 2.94] respectively. The HIV preventive behavior of the mining worker was low. Being engaged in sexual intercourse with one sexual partner is very low, Consistent condom use among these mining workers was low. Income, educational status

  5. Moessbauer studies of 57Fe substitution of Cu ions in superconducting oxides

    International Nuclear Information System (INIS)

    Saitovitch, E.B.

    1988-01-01

    Since the discovery of high-T c superconductivity in YBa 2 Cu 3 O 7 oxides several studies of metal ions substitutions were reported. The observed depression on T c without a systematic correlation with the charge and magnetic moment of Cu substituents claims for more detailed information about its local properties as can be revealed by 57 Fe Moessbauer spectroscopy. The results for different iron concentrations combined with modifications of the superconducting transition are discussed concerning the presence of magnetic moments on the Fe ions and the preferential occupation of Cu(1) sites, recently confirmed by neutron and electron diffraction experiments. The oxygen coordination for the different iron species are proposed on the basis of their dependence on Fe concentration, their behavior at high temperatures as well as the electron diffraction and electron microscopy measurements reported for Fe: YBa 2 Cu 3 O 7 samples. (author) [pt

  6. Atmospheric behaviors of polycyclic aromatic hydrocarbons at a Japanese remote background site, Noto peninsula, from 2004 to 2014

    Science.gov (United States)

    Tang, Ning; Hakamata, Mariko; Sato, Kousuke; Okada, Yumi; Yang, Xiaoyang; Tatematsu, Michiya; Toriba, Akira; Kameda, Takayuki; Hayakawa, Kazuichi

    2015-11-01

    Total suspended particulates were collected at a Japanese remote background site (Noto Air Monitoring Station; NAMS) on the Noto Peninsula from September 2004 to June 2014. Nine polycyclic aromatic hydrocarbons (PAHs) in the particulates (fluoranthene, pyrene, benz[a]anthracene, chrysene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, benzo[ghi]perylene and indeno[1,2,3-cd]pyrene) were determined by HPLC with fluorescence detection. The mean total concentrations of the nine PAHs in the cold season (November to May for the years 2004-2014) was 670 pg m-3 (range 37-4100 pg m-3). The mean total concentration in the warm season (June to October for the same period) was 170 pg m-3 (range 31-960 pg m-3). The atmospheric PAH level at NAMS decreased in recent years, although no significant change was found in the warm season. An analysis of meteorological conditions showed that the atmospheric PAHs at NAMS were long range transported from Northeast China in the cold seasons and were contributed to by Japanese domestic sources in the warm seasons. Lower concentration ratios of reactive PAHs to their isomers at NAMS also supported these results. Activities associated with the Beijing Olympic and Paralympic Games in 2008 and reconstruction after the 2007 Noto Hanto earthquake may have contributed to the yearly variations of atmospheric PAH levels at NAMS during the period 2007-2009. Source control measures implemented by the Chinese and Japanese governments appear to have been effective in decreasing the atmospheric PAH levels at NAMS in recent years.

  7. Tissue reaction and material characteristics of four bone substitutes

    DEFF Research Database (Denmark)

    Jensen, S S; Aaboe, M; Pinholt, E M

    1996-01-01

    and Interpore 500 HA/CC) were implanted into 5-mm bur holes in rabbit tibiae. There was no difference in the amount of newly formed bone around the four biomaterials. Interpore 500 HA/CC resorbed completely, whereas the other three biomaterials did not undergo any detectable biodegradation. Bio......The aim of the present study was to qualitatively and quantitatively compare the tissue reactions around four different bone substitutes used in orthopedic and craniofacial surgery. Cylinders of two bovine bone substitutes (Endobon and Bio-Oss) and two coral-derived bone substitutes (Pro Osteon 500......-Oss was osseointegrated to a higher degree than the other biomaterials. Material characteristics obtained by diffuse reflectance infrared Fourier transform spectrometry analysis and energy-dispersive spectrometry did not explain the differences in biologic behavior....

  8. prismane structure by silicon substitution

    Indian Academy of Sciences (India)

    Using the second-order Møller–Plesset perturbation (MP2) theoretic method and the cc-pVDZ basis set, it is shown that with an increase in the number of carbon atoms substituted by silicon, the [6]-prismane structure becomes increasingly more stable, relative to the two isolated benzene (like) structures. A similar trend is ...

  9. Story of skeletally substituted benzenes

    Indian Academy of Sciences (India)

    Unknown

    values are extensively used to define aromaticity quantitatively.3 In a recent study on ... studies were directed to unravel the subtle ways in which the stability, reactivity, and ..... The singlet–triplet gaps of all the skeletally substituted benzenes ...

  10. 40 CFR Appendix D to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Science.gov (United States)

    2010-07-01

    ... the following criteria, derived from Society of Automotive Engineers (SAE) standards and recommended... Substitutes] Application Substitute Decision Conditions Comments Electronics Cleaning w/CFC-113 and MCF HFC... Sector [Acceptable Subject to Narrowed Use Limits] Application Substitute Decision Comments Electronics...

  11. Structural characterization of Mg substituted on A / B sites in ...

    Indian Academy of Sciences (India)

    Manojit De

    2017-06-19

    Jun 19, 2017 ... Based on the obtained results, it has been observed that the single phase ferrite was achieved immediately after combustion. When similar attempts were made to prepare the same system with the aid of oleic acid and aloe-vera, the ferrite phase along with hematite phase was obtained as an impurity in the ...

  12. Size effects on cation heats of formation. I. Methyl substitutions in nitrogenous compounds

    International Nuclear Information System (INIS)

    Leach, Sydney

    2012-01-01

    Graphical abstract: Heat of formation of cations as a function of ln(n) where n is the number of atoms in the ion: methyl substituted immonium cations. N = substitution at nitrogen sites, C = substitution at carbon sites. Highlights: ► Heats of formation of nitrogenous cations by graphical method relating to ion size. ► Methyl substitution in formamides, acetamides, immonium, amine, and imine cations. ► Methyl substitution in ammonium and amino cations. ► New studies ionization energies and heats of formation required in several cases. - Abstract: The heats of formation of molecular ions are often not known to better than 10 or 20 kJ/mol. The present study on nitrogenous compounds adopts the graphical approach of Holmes and Lossing which relates cation heats of formation to cation size. A study of methyl substitution in formamides and acetamides is followed by an examination of heat of formation data on carbon-site and nitrogen-site methyl substitution in immonium, amine, imine, ammonium and amino cations. The results provide tests of the validity of this graphical method and also suggest investigating or re-investigating the ionization energies and the heats of formation of several of the molecules studied.

  13. Influence of Al3+ substitution on the electrical resistivity and dielectric behavior of Ni0.25Cu0.20Zn0.55AlxFe2-xO4 ferrites synthesized by solid state reaction technique

    Science.gov (United States)

    Rahman, K. R.; Chowdhury, F.-U.-Z.; Khan, M. N. I.

    2017-12-01

    In this paper, the effect of Al3+ substitution on the electrical and dielectric properties of Ni0.25Cu0.20Zn0.55AlxFe2-xO4 ferrites with x = 0.0, 0.05. 0.10, 0.15 and 0.20, synthesized by solid state reaction has been reported. Using two probe method, the DC resistivity has been investigated in the temperature range from 30 °C to 300 °C. Activation energy was calculated from the Arrhenius plot. The electrical conduction is explained on the basis of the hopping mechanism. The frequency dependent dielectric properties of these spinel ferrites have been studied at room temperature by measuring AC resistivity, conductivity (σac), dielectric constant and dielectric loss tangent (tan δ) in the frequency range between 1 kHz and 120 MHz. The study of dielectric properties showed that the dielectric constant and dielectric loss increased with increasing non-magnetic Al ions. The dependence of dielectric constant with frequency has been explained by Maxwell-Wagner interfacial polarization. Cole-Cole plots show semicircular arc(s) for the samples, and equivalent RC circuits have been proposed to clarify the phenomena involved therein. The analysis of complex impedance spectroscopy has been used to distinguish between the grain and grain boundary contribution to the total resistance.

  14. Magnetic disaccommodation in Sn substituted magnetite

    International Nuclear Information System (INIS)

    Hernandez-Gomez, P.; Bendimya, K.; Francisco, C. de; Munoz, J.M.; Alejos, O.; Torres, C.

    2001-01-01

    The relaxation of the initial magnetic permeability has been measured in polycrystalline Sn-doped magnetite with nominal composition Sn x Fe 3-x O 4 with x ranging from x=0 to 0.6. In the temperature range between 80 and 500 K, the time decay of the initial permeability after sample demagnetization has been represented by means of isochronal disaccommodation curves, which show the presence of different relaxation processes at 250 K (IV' peak), 275 K (IV), 300 K (III), 400 K (II) and 440 K (I). This behavior is explained on the basis of the disaccommodation of vacancy-doped magnetite and another similar tetravalent substitution, as the previously analyzed Ti-doped magnetite

  15. A test of the substitution-habitat hypothesis in amphibians.

    Science.gov (United States)

    Martínez-Abraín, Alejandro; Galán, Pedro

    2017-12-08

    Most examples that support the substitution-habitat hypothesis (human-made habitats act as substitutes of original habitat) deal with birds and mammals. We tested this hypothesis in 14 amphibians by using percentage occupancy as a proxy of habitat quality (i.e., higher occupancy percentages indicate higher quality). We classified water body types as original habitat (no or little human influence) depending on anatomical, behavioral, or physiological adaptations of each amphibian species. Ten species had relatively high probabilities (0.16-0.28) of occurrence in original habitat, moderate probability of occurrence in substitution habitats (0.11-0.14), and low probability of occurrence in refuge habitats (0.05-0.08). Thus, the substitution-habitat hypothesis only partially applies to amphibians because the low occupancy of refuges could be due to the negligible human persecution of this group (indicating good conservation status). However, low occupancy of refuges could also be due to low tolerance of refuge conditions, which could have led to selective extinction or colonization problems due to poor dispersal capabilities. That original habitats had the highest probabilities of occupancy suggests amphibians have a good conservation status in the region. They also appeared highly adaptable to anthropogenic substitution habitats. © 2017 Society for Conservation Biology.

  16. Analysis of the structure and Mössbauer study of the neodymium substitution in the Sr-hexaferrite

    Energy Technology Data Exchange (ETDEWEB)

    Pérez-Juache, T.J. [Departamento de Ingeniería de Procesos e Hidráulica, Universidad Autónoma Metropolitana-Iztapalapa, A.P. 55-534, 09340 México D.F., México (Mexico); Guerrero, A.L., E-mail: azdlobo@gmail.com [Facultad de Ciencias, UASLP, Salvador Nava Martínez, s/n. Zona Universitaria, 78290 San Luis Potosí S.L.P., México (Mexico); Cabal-Velarde, J.G. [Instituto Tecnológico Superior de Irapuato, Carretera Irapuato-Silao Km. 12.5. Irapuato, Guanajuato, México (Mexico); Mirabal-García, M. [Instituto de Física, UASLP, Dr. Manuel Nava No. 6. Zona Universitaria, 78290 San Luis Potosí S.L.P., México (Mexico); Palomares-Sánchez, S.A. [Facultad de Ciencias, UASLP, Salvador Nava Martínez, s/n. Zona Universitaria, 78290 San Luis Potosí S.L.P., México (Mexico); Matutes-Aquino, J.A. [Centro de Investigación en Materiales Avanzados, Ave. Miguel de Cervantes 120, Complejo Industrial Chihuahua, 31109 Chihuahua, Ch. México, México (Mexico)

    2016-12-15

    This work reads on the obtainment of the strontium hexaferrite substituted with neodymium in its pure phase using the solid state reaction method. The solubility of neodymium on the strontium hexaferrite was investigated according with the formula Sr{sub 1−x}Nd{sub x}Fe{sub 12}O{sub 19}, for x=0.00, 0.05, 0.10, 0.15, 0.20 and 0.25. Results indicate that neodymium is soluble in the hexaferrite until x=0.15. In samples with higher neodymium content there are traces of secondary phases. Analysis of magnetic and structural properties was performed in function of the neodymium content, always in its solubility range. From the structural properties, it was observed that the addition of a little neodymium quantity in the Sr-hexaferrite causes an important reduction of the unit cell volume. Also, magnetic properties are strongly linked to the structural behavior, in this case a trend to reduce the magnetization of the samples was detected when neodymium content increased, which can be explained in terms of fluctuations of the superexchange coupling conducted by the neodymium interactions with the structure. Mössbauer analysis was carried out in order to analyze the effects of the neodymium substitution on the hyperfine parameters, as well as to confirm the preferential site of the neodymium substitution in the Sr-hexaferrite.

  17. Sex difference in choice of concealed or exposed refuge sites by preschool children viewing a model leopard in a playground simulation of antipredator behavior

    Directory of Open Access Journals (Sweden)

    Richard G. Coss

    2016-07-01

    Full Text Available The current study of preschool children characterizes a semi-natural extension of experimental questions on how human ancestors evaded predation when encountering dangerous felids. In a pretend game on a playground, we presented full-size leopard and deer models to children (N = 39 in a repeatedmeasures experimental design. Prior to viewing the model presented 15-m away, each child was instructed by the experimenter to go where she or he would feel safe. The rationale for this study was based on the anthropological construct of “sexual dinichism,” positing that, during the Pliocene, smaller-bodied hominin females engaged in more arboreal behavior than larger-bodied males. Consistent with this construct, our previous simulation research using images of an African rock outcrop showed that, after viewing a lion, girls preferred a tree as refuge rather than a crevice or large boulder whereas boys did not differentiate these refuge sites. In this follow-up study, we predicted that, after viewing the model leopard, the preschool girls would differ from the boys by not choosing enclosed refuge sites analogous to the crevice. Analyses of a contingency table for the leopard model supported this hypothesis by yielding a significant interaction of sex and refuge location (p = .031, d = .76, the source of which was a reliably larger percentage of girls not choosing concealed refuge (p = .005, d = 2.3. The interaction of sex and refuge location for the model deer was not significant (p > .5. Our findings suggest that, in contrast to the deer, the girls selected exposed playground refuge sites rather than concealing ones to maintain visual contact with the leopard as a contingency for future action

  18. In vivo analysis of supersaturation/precipitation/absorption behavior after oral administration of pioglitazone hydrochloride salt; determinant site of oral absorption.

    Science.gov (United States)

    Tanaka, Yusuke; Sugihara, Masahisa; Kawakami, Ayaka; Imai, So; Itou, Takafumi; Murase, Hirokazu; Saiki, Kazunori; Kasaoka, Satoshi; Yoshikawa, Hiroshi

    2017-08-30

    The purpose of this study was to evaluate in vivo supersaturation/precipitation/absorption behavior in the gastrointestinal (GI) tract based on the luminal concentration-time profiles after oral administration of pioglitazone (PG, a highly permeable lipophilic base) and its hydrochloride salt (PG-HCl) to rats. In the in vitro precipitation experiment in the classic closed system, while the supersaturation was stable in the simulated gastric condition, PG drastically precipitated in the simulated intestinal condition, particularly at a higher initial degree of supersaturation. Nonetheless, a drastic and moderate improvement in absorption was observed in vivo at a low and high dose of PG-HCl, respectively. Analysis based on the luminal concentration of PG after oral administration of PG-HCl at a low dose revealed that most of the dissolved PG emptied from the stomach was rapidly absorbed before its precipitation in the duodenum. At a high dose of PG-HCl, PG partly precipitated in the duodenum but was absorbed to some extent. Therefore, the extent of the absorption was mainly dependent on the duodenal precipitation behavior. Furthermore, a higher-than expected absorption after oral administration of PG-HCl from in vitro precipitation study may be due to the absorption process in the small intestine, which suppresses the precipitation by removal of the drug. This study successfully clarify the impact of the absorption process on the supersaturation/precipitation/absorption behavior and key absorption site for a salt formulation of a highly permeable lipophilic base based on the direct observation of in vivo luminal concentration. Our findings may be beneficial in developing an ideal physiologically based pharmacokinetic model and in vitro predictive dissolution tools and/or translating the in silico and in vitro data to the in vivo outcome. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Synthesis, characterization and electrochemical performance of Al-substituted Li_2MnO_3

    International Nuclear Information System (INIS)

    Torres-Castro, Loraine; Shojan, Jifi; Julien, Christian M.; Huq, Ashfia; Dhital, Chetan; Paranthaman, Mariappan Parans; Katiyar, Ram S.; Manivannan, Ayyakkannu

    2015-01-01

    Graphical abstract: Comparison of the cycling performances for pure Li_2MnO_3 and Al-substituted Li_2MnO_3 compounds at a current density of 10 mAh g"−"1 for 100 cycles. Al-substitution increases the spinel phase and hence improves the cycling behavior. - Highlights: • Pure and Al-doped Li_2MnO_3 compounds were synthesized by a Pechini method. • Presence of monoclinic and spinel phases confirmed by Raman and Neutron diffraction. • Al substitution occurs at both Mn and Li sites in Li_2MnO_3 structure. • Al substitution reduces Mn valence state and promotes spinel phase formation. • Stable cycling capacity of 70 mAh g"−"1 was observed for nominal Li_0_._5Al_0_._5MnO_3. - Abstract: Li_2MnO_3 is known to be electrochemically inactive due to Mn in tetravalent oxidation state. Several compositions such as Li_2MnO_3, Li_1_._5Al_0_._1_7MnO_3, Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 were synthesized by a sol–gel Pechini method. All the samples were characterized with XRD, Raman, XPS, SEM, Tap density and BET analyzer. XRD patterns indicated the presence of monoclinic phase for pristine Li_2MnO_3 and mixed monoclinic/spinel phases (Li_2_−_xMn_1_−_yAl_x_+_yO_3_+_z) for Al-substituted Li_2MnO_3 compounds. The Al substitution seems to occur both at Li and Mn sites, which could explain the presence of spinel phase. XPS analysis for Mn 2p orbital reveals a significant decrease in binding energy for Li_1_._0Al_0_._3_3MnO_3 and Li_0_._5Al_0_._5MnO_3 compounds. Cyclic voltammetry, charge/discharge cycles and electrochemical impedance spectroscopy were also performed. A discharge capacity of 24 mAh g"−"1 for Li_2MnO_3, 68 mAh g"−"1 for Li_1_._5Al_0_._1_7MnO_3, 58 mAh g"−"1 for Li_1_._0Al_0_._3_3MnO_3 and 74 mAh g"−"1 for Li_0_._5Al_0_._5MnO_3 were obtained. Aluminum substitutions increased the formation of spinel phase which is responsible for cycling.

  20. Revival of ferromagnetic behavior in charge-ordered Pr0.75Na0.25MnO3 manganite by ruthenium doping at Mn site and its MR effect

    Science.gov (United States)

    Elyana, E.; Mohamed, Z.; Kamil, S. A.; Supardan, S. N.; Chen, S. K.; Yahya, A. K.

    2018-02-01

    Ru doping in charge-ordered Pr0.75Na0.25Mn1-xRuxO3 (x = 0-0.1) manganites was studied to investigate its effect on structure, electrical transport, magnetic properties, and magnetotransport properties. DC electrical resistivity (ρ), magnetic susceptibility, and χ' measurements showed that sample x = 0 exhibits insulating behavior within the entire temperature range and antiferromagnetic (AFM) behavior below the charge-ordering (CO) transition temperature TCO of 221 K. Ru4+ substitution (x>0.01) suppressed the CO state, which resulted in the revival of paramagnetic to ferromagnetic (FM) transition at the Curie temperature Tc, increasing from 120 K (x = 0.01) to 193 K (x = 0.1). Deviation from the Curie-Weiss law above Tc in the 1/χ' versus T plot for x = 0.01 doped samples indicated the existence of Griffiths phase with Griffith temperature at 169 K. Electrical resistivity measurements showed that Ru4+ substitution increased the metallic-to-insulating transition temperature TMI from 144 K (x = 0.01) to 192 K (x = 0.05) due to enhanced double-exchange mechanism, but TMI decreased to 176 K (x = 0.1) probably due to the existence of AFM clusters within the FM domain. The present work also discussed the possible theoretical models at the resistivity curve of Pr0.75Na0.25Mn1-xRuxO3 (x = 0-0.1) for the entire temperature range.

  1. Processing and electrical properties of gallium-substituted lead zirconate titanate ceramics

    Science.gov (United States)

    Hajra, Sugato; Sharma, Pulkit; Sahoo, Sushrisangita; Rout, P. K.; Choudhary, R. N. P.

    2017-12-01

    In the present paper, the effect of gallium (Ga) substitution on structural, microstructural, electrical conductivity of Pb(ZrTi)O3 (PZT) in the morphotropic phase boundary (MPB) region (i.e., Pb0.96Ga0.04(Zr0.48Ti0.52)0.99O3 (PGaZT-4)) was investigated. Increased grain density increases the resistivity of the Ga-modified PZT system. Preliminary structural analysis using X-ray diffraction pattern and data showed the existence of two phases [major tetragonal (T) and minor monoclinic (M)]. Field emission scanning electron micrograph (FESEM) showed the distribution of spherical as well as platelet type grains with small pores. The behavior of dielectric constant with temperature of PGaZT-4 exhibited the suppression of the ferroelectric phase transition [i.e., disappearance of Curie temperature ( T c)]. The complex impedance spectroscopy (CIS) technique helped to investigate the impedance parameters of PGaZT-4 in MPB region in a wide range of temperature (250-500 °C) and frequency (1-1000 kHz) region. The impedance parameters of the material are found to be strongly dependent on frequency of AC electric field and temperature. The substitution of gallium at the Pb site of PZT generally enhances the dielectric constant and decreases loss tangent. The AC conductivity vs frequency ( f = ω2 π) in the region of dispersion follows the universal response of Jonscher's equation. Enhanced resistive characteristics were observed for Ga-substituted PZT in comparison to the pure PZT, which was well ensured from the studies of electrical parameters, such as impedance and AC conductivity.

  2. Processing and electrical properties of gallium-substituted lead zirconate titanate ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Hajra, Sugato; Sharma, Pulkit; Rout, P.K. [Siksha O Anusandhan University, Department of Electrical and Electronics Engineering, Bhubaneswar (India); Sahoo, Sushrisangita; Choudhary, R.N.P. [Siksha O Anusandhan University, Department of Physics, Bhubaneswar (India)

    2017-12-15

    In the present paper, the effect of gallium (Ga) substitution on structural, microstructural, electrical conductivity of Pb(ZrTi)O{sub 3} (PZT) in the morphotropic phase boundary (MPB) region (i.e., Pb{sub 0.96}Ga{sub 0.04}(Zr{sub 0.48}Ti{sub 0.52}){sub 0.99}O{sub 3} (PGaZT-4)) was investigated. Increased grain density increases the resistivity of the Ga-modified PZT system. Preliminary structural analysis using X-ray diffraction pattern and data showed the existence of two phases [major tetragonal (T) and minor monoclinic (M)]. Field emission scanning electron micrograph (FESEM) showed the distribution of spherical as well as platelet type grains with small pores. The behavior of dielectric constant with temperature of PGaZT-4 exhibited the suppression of the ferroelectric phase transition [i.e., disappearance of Curie temperature (T{sub c})]. The complex impedance spectroscopy (CIS) technique helped to investigate the impedance parameters of PGaZT-4 in MPB region in a wide range of temperature (250-500 C) and frequency (1-1000 kHz) region. The impedance parameters of the material are found to be strongly dependent on frequency of AC electric field and temperature. The substitution of gallium at the Pb site of PZT generally enhances the dielectric constant and decreases loss tangent. The AC conductivity vs frequency (f = ω2π) in the region of dispersion follows the universal response of Jonscher's equation. Enhanced resistive characteristics were observed for Ga-substituted PZT in comparison to the pure PZT, which was well ensured from the studies of electrical parameters, such as impedance and AC conductivity. (orig.)

  3. Smart Phones and their Substitutes

    DEFF Research Database (Denmark)

    Bødker, Mads; Gimpel, Gregory; Hedman, Jonas

    2009-01-01

    Drawing on data from a longitudinal field study, this paper investigates the influence of existing, better and stand-alone technology substitutes on the use of smart phones. By applying prospect theory, media richness theory, and business model literature, the purpose of this paper is to improve...... our understanding of the role of substitutes, device content fit issues, and implications for business models by asking the question: What is an effective business model to address the relationship between user preference and the fit of the smart phone and everyday task? The field study data suggest...... the need for business models to recognize that adoption decisions are reference-dependent and strongly influenced by the fit between task and smart phone....

  4. Substituting oil by electric power

    International Nuclear Information System (INIS)

    Lichtenberg, H.

    1981-01-01

    Parting from the development of primary energy use the author refers to the latest investigations and results presented on the 1980 World Energy Conference and with special regard to oil points out the threatening exhaustion of fossil energy resources. Maintaining the economic structure of the Federal Republic of Germany implies an orientation away from oil. Due to its flexible application technology and quasi-inexhaustible energy resources electric power may substantially contribute to oil substitution which as a matter of fact is of particular interest in connection with the heat market. Coal alone cannot substitute both oil and nuclear energy. Thus, the above postulates the use of the latter. Leaving nuclear energy inactive today will effect an increase in the demand for oil the negative consequences of which would weight heavily upon the anyhow unbalanced import/export ratio of the Federal Republic of Germany. (orig.) [de

  5. 40 CFR 721.4420 - Substituted hydroxylamine.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted hydroxylamine. 721.4420... Substances § 721.4420 Substituted hydroxylamine. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as substituted hydroxylamine (PMN P-84-492) is...

  6. Substituted Indoleacetic Acids Tested in Tissue Cultures

    DEFF Research Database (Denmark)

    Engvild, Kjeld Christensen

    1978-01-01

    Monochloro substituted IAA inhibited shoot induction in tobacco tissue cultures about as much as IAA. Dichloro substituted IAA inhibited shoot formation less. Other substituted IAA except 5-fluoro- and 5-bromoindole-3-acetic acid were less active than IAA. Callus growth was quite variable...

  7. Substitutes for School Nurses in Illinois

    Science.gov (United States)

    Vollinger, Linda Jeno; Bergren, Martha Dewey; Belmonte-Mann, Frances

    2011-01-01

    The purpose of this descriptive study was to explore utilization of nurse substitutes in the school setting in Illinois. The literature described personnel who staff the school health office in the absence of the school nurse and the barriers to obtaining nurse substitutes. There were no empirical studies conducted on school nurse substitutes in…

  8. Identifying key controls on the behavior of an acidic-U(VI) plume in the Savannah River Site using reactive transport modeling.

    Science.gov (United States)

    Bea, Sergio A; Wainwright, Haruko; Spycher, Nicolas; Faybishenko, Boris; Hubbard, Susan S; Denham, Miles E

    2013-08-01

    Acidic low-level waste radioactive waste solutions were discharged to three unlined seepage basins at the F-Area of the Department of Energy (DOE) Savannah River Site (SRS), South Carolina, USA, from 1955 through 1989. Despite many years of active remediation, the groundwater remains acidic and contaminated with significant levels of U(VI) and other radionuclides. Monitored Natural Attenuation (MNA) is a desired closure strategy for the site, based on the premise that regional flow of clean background groundwater will eventually neutralize the groundwater acidity, immobilizing U(VI) through adsorption. An in situ treatment system is currently in place to accelerate this in the downgradient portion of the plume and similar measures could be taken upgradient if necessary. Understanding the long-term pH and U(VI) adsorption behavior at the site is critical to assess feasibility of MNA along with the in-situ remediation treatments. This paper presents a reactive transport (RT) model and uncertainty quantification (UQ) analyses to explore key controls on the U(VI)-plume evolution and long-term mobility at this site. Two-dimensional numerical RT simulations are run including the saturated and unsaturated (vadose) zones, U(VI) and H(+) adsorption (surface complexation) onto sediments, dissolution and precipitation of Al and Fe minerals, and key hydrodynamic processes are considered. UQ techniques are applied using a new open-source tool that is part of the developing ASCEM reactive transport modeling and analysis framework to: (1) identify the complex physical and geochemical processes that control the U(VI) plume migration in the pH range where the plume is highly mobile, (2) evaluate those physical and geochemical parameters that are most controlling, and (3) predict the future plume evolution constrained by historical, chemical and hydrological data. The RT simulation results show a good agreement with the observed historical pH and concentrations of U(VI), nitrates

  9. Tetrakis(4-tert-butylphenyl) substituted and fused quinoidal porphyrins

    KAUST Repository

    Zeng, Wangdong

    2012-01-01

    4-tert-Butylphenyl-substituted and fused quinoidal porphyrins 1 and 2 are prepared for the first time. They show (1) intense one-photon absorption in the far-red/near-infrared region, (2) enhanced two-photon absorption compared with aromatic porphyrin monomers, and (3) amphoteric redox behavior. Their geometry and electronic structure are studied by DFT calculations. This journal is © 2012 The Royal Society of Chemistry.

  10. Influence of substitute communication on behaviour (case study)

    OpenAIRE

    Vidic, Kaja

    2016-01-01

    In this dissertation we found out, how can the substitute communication with help of especially made photographs/adjusted didactic material, help a child with moderate disorders in mental developing to communicating with surroundings, and has the influence on reduction of unwanted behavior. We developed an adjusted didactic material intended for person with Down's syndrome with moderate disorders in mental developing. We were collecting the data with help of observation of individually ma...

  11. Effects of Al substitution in Nd2Fe17 studied by first-principles calculations

    International Nuclear Information System (INIS)

    Huang, M.; Ching, W.Y.

    1994-01-01

    We have studied the effect of Al substitution in Nd 2 Fe 17 compound by means of first-principles calculations. We first obtain the site-decomposed potentials for Fe from self-consistent calculation on Y 2 Fe 17 and the atomiclike potentials in the crystalline environment for Al and Nd. Calculations are carried out for a single Al substituting one Fe at four different Fe sites (6c), (9d), (18f ), and (18h), two Al substituting two Fe (18h), and four Al substituting three Fe (18h) and one Fe (18f ). Our results show that the Al moment is oppositely polarized to Fe. The average moment per Fe atom actually increases for Al substituting Fe (18h) and Fe (18f ) is about the same for Al substituting Fe (6c), and is drastically reduced when replacing Fe (9d). Experimentally, Al is shown to be excluded from the (9d) sites because of the small Wigner--Seitz volume. When two Fe atoms are replaced by two Al atoms, the total moment is only slightly less than when only one Fe atom is replaced, and the M s per Fe site actually increases, in agreement with the Moessbauer data. These results are analyzed in terms of the local atomic geometry and the charge transfer effect from the neighboring Fe to Al

  12. High temperature superconductivity in Zn and Mn substituted (Tl,Cr)Sr2CaCu2O7

    International Nuclear Information System (INIS)

    Lo, S.V.; Abd Shukor, R.

    1999-01-01

    Samples with nominal starting composition (TICr 0 .15)Sr 2 (Ca 1-x M x )Cu 2 O 7 (TI-1212) for x=0 - 0.7 with M= Zn and Mn have been prepared and investigated by powder X-ray diffraction (XRD) and electrical resistance measurements. All sample showed a mixed phase of 1212 and 1201. Dominant 1212-phase was observed for x=0.0-0.5 and x=0.0-0.4, for Zn and Mn series, respectively. The superconducting transition temperature was suppressed when Zn and Mn are substituted at the Ca site. For the Zn series the normal state behavior is metallic throughout the doping range. For the Mn series the normal state behavior is metallic for 0.1≤x≥0.3 and semiconducting like x>0.3. The suppression of T c and formation of the TI-1212 phase are discussed in terms of the ionic radius and valence state of the substituted elements. (author)

  13. Nonsynonymous substitution in abalone sperm fertilization genes exceeds substitution in introns and mitochondrial DNA

    Science.gov (United States)

    Metz, Edward C.; Robles-Sikisaka, Refugio; Vacquier, Victor D.

    1998-01-01

    Strong positive Darwinian selection acts on two sperm fertilization proteins, lysin and 18-kDa protein, from abalone (Haliotis). To understand the phylogenetic context for this dramatic molecular evolution, we obtained sequences of mitochondrial cytochrome c oxidase subunit I (mtCOI), and genomic sequences of lysin, 18-kDa, and a G protein subunit. Based on mtDNA differentiation, four north Pacific abalone species diverged within the past 2 million years (Myr), and remaining north Pacific species diverged over a period of 4–20 Myr. Between-species nonsynonymous differences in lysin and 18-kDa exons exceed nucleotide differences in introns by 3.5- to 24-fold. Remarkably, in some comparisons nonsynonymous substitutions in lysin and 18-kDa genes exceed synonymous substitutions in mtCOI. Lysin and 18-kDa intron/exon segments were sequenced from multiple red abalone individuals collected over a 1,200-km range. Only two nucleotide changes and two sites of slippage variation were detected in a total of >29,000 nucleotides surveyed. However, polymorphism in mtCOI and a G protein intron was found in this species. This finding suggests that positive selection swept one lysin allele and one 18-kDa allele to fixation. Similarities between mtCOI and lysin gene trees indicate that rapid adaptive evolution of lysin has occurred consistently through the history of the group. Comparisons with mtCOI molecular clock calibrations suggest that nonsynonymous substitutions accumulate 2–50 times faster in lysin and 18-kDa genes than in rapidly evolving mammalian genes. PMID:9724763

  14. Current-voltage characteristics of carbon nanotubes with substitutional nitrogen

    DEFF Research Database (Denmark)

    Kaun, C.C.; Larade, B.; Mehrez, H.

    2002-01-01

    unit cell generates a metallic transport behavior. Nonlinear I-V characteristics set in at high bias and a negative differential resistance region is observed for the doped tubes. These behaviors can be well understood from the alignment/mis-alignment of the current carrying bands in the nanotube leads......We report ab initio analysis of current-voltage (I-V) characteristics of carbon nanotubes with nitrogen substitution doping. For zigzag semiconducting tubes, doping with a single N impurity increases current flow and, for small radii tubes, narrows the current gap. Doping a N impurity per nanotube...

  15. Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, S., E-mail: sghoshphysics@gmail.com [Department of Material Science, Indian Association for the Cultivation of Science, 2A and 2B Raja S.C. Mullick Road, Jadavpur, Kolkata 700032 (India); Nambissan, P.M.G.; Thapa, S. [Applied Nuclear Physics Division, Saha Institute of Nuclear Physics, Sector 1, Block AF, Bidhannagar, Kolkata 700064 (India); Mandal, K. [Department of Condensed Matter Physics and Material Sciences, S.N. Bose National Centre for Basic Sciences, Block JD, Sector III, Salt Lake, Kolkata 700098 (India)

    2014-12-01

    Very recently, vacancy-type defects have been found to play a major role in stabilizing d{sup 0} ferromagnetism in various low dimensional ZnO systems. In this context, the evolution of vacancy-type defects within the ZnO nanocrystals due to the doping of ZnO by alkali metal lithium (Li) is investigated using X-ray photoelectron (XPS), photoluminescence (PL) and positron annihilation spectroscopy (PAS). Li-doping is found to have significant effects in modifying the vacancy-type defects, especially the Zn vacancy (V{sub Zn}) defects within the ZnO lattice. XPS measurement indicated that initially the Li{sup 1+} ions substitute at Zn{sup 2+} sites, but when Li concentration exceeds 7 at%, excess Li starts to move through the interstitial sites. The increase in positron lifetime components and the lineshape S-parameter obtained from coincident Doppler broadening spectra with Li-doping indicated an enhancement of V{sub Zn} defect concentration within the doped ZnO lattice. The vacancy type defects, initially of the predominant configuration V{sub Zn+O+Zn} got reduced to neutral ZnO divacancies due to the partial recombination by the doped Li{sup 1+} ions but, when the doping concentration exceeded 7 at% and Li{sup 1+} ions started migrating to the interstitials, positron diffusion is partly impeded and this results in reduced probability of annihilation. PL spectra have shown intense green and yellow-orange emission due to the stabilization of a large number of V{sub Zn} defects and Li substitutional (Li{sub Zn}) defects respectively. Hence Li can be a very useful dopant in stabilizing and modifying significant amount of Zn vacancy-defects which can play a useful role in determining the material behavior.

  16. Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis

    Science.gov (United States)

    Ghosh, S.; Nambissan, P. M. G.; Thapa, S.; Mandal, K.

    2014-12-01

    Very recently, vacancy-type defects have been found to play a major role in stabilizing d0 ferromagnetism in various low dimensional ZnO systems. In this context, the evolution of vacancy-type defects within the ZnO nanocrystals due to the doping of ZnO by alkali metal lithium (Li) is investigated using X-ray photoelectron (XPS), photoluminescence (PL) and positron annihilation spectroscopy (PAS). Li-doping is found to have significant effects in modifying the vacancy-type defects, especially the Zn vacancy (VZn) defects within the ZnO lattice. XPS measurement indicated that initially the Li1+ ions substitute at Zn2+ sites, but when Li concentration exceeds 7 at%, excess Li starts to move through the interstitial sites. The increase in positron lifetime components and the lineshape S-parameter obtained from coincident Doppler broadening spectra with Li-doping indicated an enhancement of VZn defect concentration within the doped ZnO lattice. The vacancy type defects, initially of the predominant configuration VZn+O+Zn got reduced to neutral ZnO divacancies due to the partial recombination by the doped Li1+ ions but, when the doping concentration exceeded 7 at% and Li1+ ions started migrating to the interstitials, positron diffusion is partly impeded and this results in reduced probability of annihilation. PL spectra have shown intense green and yellow-orange emission due to the stabilization of a large number of VZn defects and Li substitutional (LiZn) defects respectively. Hence Li can be a very useful dopant in stabilizing and modifying significant amount of Zn vacancy-defects which can play a useful role in determining the material behavior.

  17. Defect dynamics in Li substituted nanocrystalline ZnO: A spectroscopic analysis

    International Nuclear Information System (INIS)

    Ghosh, S.; Nambissan, P.M.G.; Thapa, S.; Mandal, K.

    2014-01-01

    Very recently, vacancy-type defects have been found to play a major role in stabilizing d 0 ferromagnetism in various low dimensional ZnO systems. In this context, the evolution of vacancy-type defects within the ZnO nanocrystals due to the doping of ZnO by alkali metal lithium (Li) is investigated using X-ray photoelectron (XPS), photoluminescence (PL) and positron annihilation spectroscopy (PAS). Li-doping is found to have significant effects in modifying the vacancy-type defects, especially the Zn vacancy (V Zn ) defects within the ZnO lattice. XPS measurement indicated that initially the Li 1+ ions substitute at Zn 2+ sites, but when Li concentration exceeds 7 at%, excess Li starts to move through the interstitial sites. The increase in positron lifetime components and the lineshape S-parameter obtained from coincident Doppler broadening spectra with Li-doping indicated an enhancement of V Zn defect concentration within the doped ZnO lattice. The vacancy type defects, initially of the predominant configuration V Zn+O+Zn got reduced to neutral ZnO divacancies due to the partial recombination by the doped Li 1+ ions but, when the doping concentration exceeded 7 at% and Li 1+ ions started migrating to the interstitials, positron diffusion is partly impeded and this results in reduced probability of annihilation. PL spectra have shown intense green and yellow-orange emission due to the stabilization of a large number of V Zn defects and Li substitutional (Li Zn ) defects respectively. Hence Li can be a very useful dopant in stabilizing and modifying significant amount of Zn vacancy-defects which can play a useful role in determining the material behavior

  18. Hydrophobic core substitutions in calbindin D9k

    DEFF Research Database (Denmark)

    Kragelund, B B; Jönsson, M; Bifulco, G

    1998-01-01

    Hydrophobic core residues have a marked influence on the Ca2+-binding properties of calbindin D9k, even though there are no direct contacts between these residues and the bound Ca2+ ions. Eleven different mutants with substitutions in the hydrophobic core were produced, and their equilibrium Ca2+...... that the hydrophobic core residues promote Ca2+ binding both by contributing to the preformation of the Ca2+ sites in the apo state and by preferentially stabilizing the Ca2+-bound state.......Hydrophobic core residues have a marked influence on the Ca2+-binding properties of calbindin D9k, even though there are no direct contacts between these residues and the bound Ca2+ ions. Eleven different mutants with substitutions in the hydrophobic core were produced, and their equilibrium Ca2...... that the mutation causes only very minimal perturbations in the immediate vicinity of residue 61. Substitutions of alanines or glycines for bulky residues in the center of the core were found to have significant effects on both Ca2+ affinity and dissociation rates. These substitutions caused a reduction in affinity...

  19. Substitution rate and natural selection in parvovirus B19

    Science.gov (United States)

    Stamenković, Gorana G.; Ćirković, Valentina S.; Šiljić, Marina M.; Blagojević, Jelena V.; Knežević, Aleksandra M.; Joksić, Ivana D.; Stanojević, Maja P.

    2016-01-01

    The aim of this study was to estimate substitution rate and imprints of natural selection on parvovirus B19 genotype 1. Studied datasets included 137 near complete coding B19 genomes (positions 665 to 4851) for phylogenetic and substitution rate analysis and 146 and 214 partial genomes for selection analyses in open reading frames ORF1 and ORF2, respectively, collected 1973–2012 and including 9 newly sequenced isolates from Serbia. Phylogenetic clustering assigned majority of studied isolates to G1A. Nucleotide substitution rate for total coding DNA was 1.03 (0.6–1.27) x 10−4 substitutions/site/year, with higher values for analyzed genome partitions. In spite of the highest evolutionary rate, VP2 codons were found to be under purifying selection with rare episodic positive selection, whereas codons under diversifying selection were found in the unique part of VP1, known to contain B19 immune epitopes important in persistent infection. Analyses of overlapping gene regions identified nucleotide positions under opposite selective pressure in different ORFs, suggesting complex evolutionary mechanisms of nucleotide changes in B19 viral genomes. PMID:27775080

  20. Stiffness compatibility of coralline hydroxyapatite bone substitute under dynamic loading

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    When hydroxyapatite bone substitutes are implanted in human bodies,bone tissues will grow into their porous structure,which will reinforce their strength and stiffness.The concept of mechanical com-patibility of bone substitutes implies that their mechanical properties are similar to the bone tissues around,as if they were part of the bone.The mechanical compatibility of bone substitutes includes both static and dynamic behavior,due to the mechanical properties of bone depending on the strain rate.In this study,split Hopkinson pressure bar technique(SHPB) was employed to determine the dy-namic mechanical properties of coralline hydroxyapatite,bones with and bones without organic com-ponents,and their dynamic stress-strain curves of the three materials were obtained.The mechanical effects of collagens in bone were assessed,by comparing the difference between the Young’s moduli of the three materials.As the implanted bone substitute becomes a part of bone,it can be regarded as an inclusion composite.The effective modulus of the composite was also evaluated in order to estimate its mechanical compatibility on stiffness.The evaluated result shows that the suitable porosity of HA is 0.8,which is in favor of both static and dynamic stiffness compatibility.

  1. Stiffness compatibility of coralline hydroxyapatite bone substitute under dynamic loading

    Institute of Scientific and Technical Information of China (English)

    REN ChaoFeng; HOU ZhenDe; ZHAO Wei

    2009-01-01

    When hydroxyapatite bone substitutes are implanted in human bodies, bone tissues will grow into their porous structure, which will reinforce their strength and stiffness. The concept of mechanical com-patibility of bone substitutes implies that their mechanical properties are similar to the bone tissues around, as if they were part of the bone. The mechanical compatibility of bone substitutes includes both static and dynamic behavior, due to the mechanical properties of bone depending on the strain rate. In this study, split Hopkinson pressure bar technique (SHPB) was employed to determine the dy-namic mechanical properties of coralline hydroxyapatite, bones with and bones without organic com-ponents, and their dynamic stress-strain curves of the three materials were obtained. The mechanical effects of collagens in bone were assessed, by comparing the difference between the Young's moduli of the three materials. As the implanted bone substitute becomes a part of bone, it can be regarded as an inclusion composite. The effective modulus of the composite was also evaluated in order to estimate its mechanical compatibility on stiffness. The evaluated result shows that the suitable porosity of HA is0.8, which is in favor of both static and dynamic stiffness compatibility.

  2. Are Charitable Giving and Religious Attendance Complements or Substitutes? The Role of Measurement Error

    Science.gov (United States)

    Kim, Matthew

    2013-01-01

    Government policies sometimes cause unintended consequences for other potentially desirable behaviors. One such policy is the charitable tax deduction, which encourages charitable giving by allowing individuals to deduct giving from taxable income. Whether charitable giving and other desirable behaviors are complements or substitutes affect the…

  3. Biologic and synthetic skin substitutes: An overview.

    Science.gov (United States)

    Halim, Ahmad Sukari; Khoo, Teng Lye; Mohd Yussof, Shah Jumaat

    2010-09-01

    The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substitutes can be divided into two main classes, namely, biological and synthetic substitutes. The biological skin substitutes have a more intact extracellular matrix structure, while the synthetic skin substitutes can be synthesised on demand and can be modulated for specific purposes. Each class has its advantages and disadvantages. The biological skin substitutes may allow the construction of a more natural new dermis and allow excellent re-epithelialisation characteristics due to the presence of a basement membrane. Synthetic skin substitutes demonstrate the advantages of increase control over scaffold composition. The ultimate goal is to achieve an ideal skin substitute that provides an effective and scar-free wound healing.

  4. Biologic and synthetic skin substitutes: An overview

    Directory of Open Access Journals (Sweden)

    Halim Ahmad

    2010-10-01

    Full Text Available The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substitutes can be divided into two main classes, namely, biological and synthetic substitutes. The biological skin substitutes have a more intact extracellular matrix structure, while the synthetic skin substitutes can be synthesised on demand and can be modulated for specific purposes. Each class has its advantages and disadvantages. The biological skin substitutes may allow the construction of a more natural new dermis and allow excellent re-epithelialisation characteristics due to the presence of a basement membrane. Synthetic skin substitutes demonstrate the advantages of increase control over scaffold composition. The ultimate goal is to achieve an ideal skin substitute that provides an effective and scar-free wound healing.

  5. [The social portrait of substitute families and modes of development of medical pedagogical monitoring].

    Science.gov (United States)

    Aver'ianova, N I; Khanova, N A

    2014-01-01

    The study demonstrated that in Russia the major cause of orphanage is a social life-style of biological parents of orphan children. The substitute families are more often large with number of children from 3 to 8 and quarter of them are incomplete. The mean age of substitute parent consists 47.8 ± 1.4 years. The leading motivation to take orphan child/or education in family is the availability of kindred relationship regarding child or "deserted nest syndrome". At the initial phase of establishing of substitute family the most of substitute parents/tutors face with problems of health status and behavioral deviations of foster children. The substitute parents are unsatisfied with quality of medical monitoring of foster children. They also suffer fromdeficiency of information concerning characteristics of development, health conditions and modes of rehabilitation of children. In the judgment of substitute parents/tutors placing child into family conditions effects positively on one's development and health, behavior and emotional background. In substitute families, conditions organized for children can be named as approximated to conditions of residing in biological (home) families. The system of medical psychological and pedagogical monitoring of children of this category is needed in further development.

  6. Evolutionary constraints and the neutral theory. [mutation-caused nucleotide substitutions in DNA

    Science.gov (United States)

    Jukes, T. H.; Kimura, M.

    1984-01-01

    The neutral theory of molecular evolution postulates that nucleotide substitutions inherently take place in DNA as a result of point mutations followed by random genetic drift. In the absence of selective constraints, the substitution rate reaches the maximum value set by the mutation rate. The rate in globin pseudogenes is about 5 x 10 to the -9th substitutions per site per year in mammals. Rates slower than this indicate the presence of constraints imposed by negative (natural) selection, which rejects and discards deleterious mutations.

  7. Influence of fluorine substitution on the morphology and structure of hydroxyapatite nanocrystals prepared by hydrothermal method

    International Nuclear Information System (INIS)

    Joseph Nathanael, A.; Mangalaraj, D.; Hong, S.I.; Masuda, Y.; Rhee, Y.H.; Kim, H.W.

    2013-01-01

    Hydroxyapatite (HAp) nanocrystals with different levels of fluorine substitution (P/F = 0, 6, 4 and 2) on the OH sites were produced via hydrothermal method. The fluorine substitution was found to alter the morphology of crystals appreciably. The aspect ratio and the crystallinity of HAp crystals increased with increasing fluorine substitution. The presence of broad ring and hallow ring patterns in electron diffraction suggests the low-crystalline nature of HAp crystals. With increasing fluorine substitution, the diffraction patterns exhibited discrete rings and numerous diffraction spots, implying the increased crystallinity. Raman spectra from the HAp nanoparticles also support the less-crystalline nature of the pristine HAp and the enhanced crystallization by fluorine substitution. In HAp crystals processed with no fluorine substitution, surface energy and planar Ca 2+ density are less sensitive to the crystallographic orientation because of its low-crystalline nature, favoring equi-axed or slightly elongated particles. The addition of fluorine apparently increased the crystallinity, enhancing the orientation dependent growth and accordingly the aspect ratio. Osteoblast proliferation was observed to be enhanced by fluorine substitution in HAp. In vitro biological data support that the excellent osteoblastic cell viability and functional activity of the fluoridated apatite. -- Highlights: ► Fluorapatite nanorods were produced hydrothermally with different fluorine content. ► Fluorine substitution was found to alter the morphology of crystals appreciably. ► It enhances the crystallinity, orientation dependent growth and hence aspect ratio. ► In vitro cellular analysis shows excellent cell viability of the fluorapatite.

  8. Tunable ferromagnetic resonance in La-Co substituted barium hexaferrites at millimeter wave frequencies

    Science.gov (United States)

    Korolev, Konstantin A.; Wu, Chuanjian; Yu, Zhong; Sun, Ke; Afsar, Mohammed N.; Harris, Vincent G.

    2018-05-01

    Transmittance measurements have been performed on La-Co substituted barium hexaferrites in millimeter waves. Broadband millimeter-wave measurements have been carried out using the free space quasi-optical spectrometer, equipped with a set of high power backward wave oscillators covering the frequency range of 30 - 120 GHz. Strong absorption zones have been observed in the millimeter-wave transmittance spectra of all La-Co substituted barium hexaferrites due to the ferromagnetic resonance. Linear shift of ferromagnetic resonance frequency as functions of La-Co substitutions have been found. Real and imaginary parts of dielectric permittivity of La-Co substituted barium hexaferrites have been calculated using the analysis of recorded high precision transmittance spectra. Frequency dependences of magnetic permeability of La-Co substituted barium hexaferrites, as well as saturation magnetization and anisotropy field have been determined based on Schlömann's theory for partially magnetized ferrites. La-Co substituted barium hexaferrites have been further investigated by DC magnetization to assess magnetic behavior and compare with millimeter wave data. Consistency of saturation magnetization determined independently by both millimeter wave absorption and DC magnetization have been found for all La-Co substituted barium hexaferrites. These materials seem to be quite promising as tunable millimeter wave absorbers, filters, circulators, based on the adjusting of their substitution parameters.

  9. A first-principles study of light non-metallic atom substituted blue phosphorene

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Minglei [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Tang, Wencheng, E-mail: 101000185@seu.edu.cn [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Ren, Qingqiang [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083, Hunan (China); Wang, Sa-ke [Department of Physics, Southeast University, Nanjing 210096, Jiangsu (China); Yu, Jin [School of Materials Science and Engineering, Southeast University, Nanjing 211189, Jiangsu (China); Jiangsu Key Laboratory of Advanced Metallic Materials, Southeast University, Nanjing 211189, Jiangsu (China); Du, Yanhui [School of Mechanical Engineering, Southeast University, Nanjing 211189, Jiangsu (China)

    2015-11-30

    Graphical abstract: - Highlights: • All the impurities are covalently bonded to blue phosphorene (with a single vacancy). • All the substituted systems are semiconductors. • B-substituted system exhibits direct bandgap semiconductor behavior. • The band gaps with spin polarization are found in C and O-substituted systems. • Our works can paves a new route at nanoscale for novel functionalities of optical and spintronics devices. - Abstract: First-principles calculations are implemented to study the geometric, electronic and magnetic properties of light non-metallic atom (B, C, N, O and F) substituted blue phosphorene. All the substituted systems are highly stable. The B-substituted system is a direct bandgap semiconductor with a bandgap size about 1.5 eV. The C, O-substituted systems are promising systems to explore two-dimensional diluted magnetic semiconductors. Magnetism is observed for C and O substitution, while for the other impurities no magnetic moment is detected. Our works paves a new route at nanoscale for novel functionalities of optical and spintronics devices.

  10. Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

    CERN Document Server

    Park, Y T; Kim, M S; Kwon, J H

    2002-01-01

    Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed.

  11. Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

    Energy Technology Data Exchange (ETDEWEB)

    Park, Yong Tae; Song, Myong Geun; Kim, Moon Sub; Kwon, Jeong Hee [Kyungpook National Univ., Daegu (Korea, Republic of)

    2002-09-01

    Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed.

  12. Photoinduced intramolecular substitution reaction of aryl halide with carbonyl oxygen of amide group

    International Nuclear Information System (INIS)

    Park, Yong Tae; Song, Myong Geun; Kim, Moon Sub; Kwon, Jeong Hee

    2002-01-01

    Photoreaction of N-(o-halophenyl)acetamide in basic acetonitrile produces an intramolecular substituted product, 2-methylbenzoxazole in addition to reduced product, acetanilide, whereas photoreaction of N-(o-halobenzyl)acetamide affords a reduced product, N-benzylacetamide only. On the basis of preparative reaction, kinetics, and UV/vis absorption behavior, an electrophilic aromatic substitution of aryl halide with oxygen of its amide bond are proposed

  13. Behavior and food consumption pattern of the population exposed in 1949-1962 to fallout from Semipalatinsk nuclear test site in Kazakhstan.

    Science.gov (United States)

    Drozdovitch, Vladimir; Schonfeld, Sara; Akimzhanov, Kuat; Aldyngurov, Daulet; Land, Charles E; Luckyanov, Nickolas; Mabuchi, Kiyohiko; Potischman, Nancy; Schwerin, Michael J; Semenova, Yulia; Tokaeva, Alma; Zhumadilov, Zhaxybay; Bouville, André; Simon, Steven L

    2011-03-01

    The relationship between radiation exposure from nuclear weapons testing fallout and thyroid disease in a group of 2,994 subjects has been the subject of study by the US National Cancer Institute. In that study, radiation doses to the thyroid were estimated for residents of villages in Kazakhstan possibly exposed to deposition of radioactive fallout from nuclear testing conducted by the Soviet Union at the Semipalatinsk Nuclear Test Site in Kazakhstan between 1949 and 1962. The study subjects included individuals of both Kazakh and Russian origin who were exposed during childhood and adolescence. An initial dose reconstruction used for the risk analysis of Land et al. (Radiat Res 169:373-383, 2008) was based on individual information collected from basic questionnaires administered to the study population in 1998. However, because data on several key questions for accurately estimating doses were not obtained from the 1998 questionnaires, it was decided to conduct a second data collection campaign in 2007. Due to the many years elapsed since exposure, a well-developed strategy was necessary to encourage accurate memory recall. In our recent study, a focus group interview data collection methodology was used to collect historical behavioral and food consumption data. The data collection in 2007 involved interviews conducted within four-eight-person focus groups (three groups of women and one group of men) in each of four exposed villages where thyroid disease screening was conducted in 1998. Population-based data on relevant childhood behaviors including time spent in- and outdoors and consumption rates of milk and other dairy products were collected from women's groups. The data were collected for five age groups of children and adolescents ranging from less than 1 year of age to 21 years of age. Dairy products considered included fresh milk and other products from cows, goats, mares, and sheep. Men's focus group interviews pertained to construction materials of

  14. Behavior and food consumption pattern of the population exposed in 1949–1962 to fallout from Semipalatinsk nuclear test site in Kazakhstan

    Science.gov (United States)

    Schonfeld, Sara; Akimzhanov, Kuat; Aldyngurov, Daulet; Land, Charles E.; Luckyanov, Nickolas; Mabuchi, Kiyohiko; Potischman, Nancy; Schwerin, Michael J.; Semenova, Yulia; Tokaeva, Alma; Zhumadilov, Zhaxybay; Bouville, André; Simon, Steven L.

    2013-01-01

    The relationship between radiation exposure from nuclear weapons testing fallout and thyroid disease in a group of 2,994 subjects has been the subject of study by the U.S. National Cancer Institute. In that study, radiation doses to the thyroid were estimated for residents of villages in Kazakhstan possibly exposed to deposition of radioactive fallout from nuclear testing conducted by the Soviet Union at the Semipalatinsk Nuclear Test Site in Kazakhstan between 1949 and 1962. The study subjects included individuals of both Kazakh and Russian origin who were exposed during childhood and adolescence. An initial dose reconstruction used for the risk analysis of Land et al. (2008) was based on individual information collected from basic questionnaires administered to the study population in 1998. However, because data on several key questions for accurately estimating doses was not obtained from the 1998 questionnaires it was decided to conduct a second data collection campaign in 2007. Due to the many years elapsed since exposure, a well developed strategy was necessary to encourage accurate memory recall. In our recent study, a focus group interview data collection methodology was used to collect historical behavioral and food consumption data. The data collection in 2007 involved interviews conducted within four eight-person focus groups (three groups of women and one group of men) in each of four exposed villages where thyroid disease screening was conducted in 1998. Population-based data on relevant childhood behaviors, including time spent in- and outdoors and consumption rates of milk and other dairy products were collected from women’s groups. The data were collected for five age groups of children and adolescents ranging from less than 1 year of age to 21 years of age. Dairy products considered included fresh milk and other products from cows, goats, mares, and sheep. Men’s focus group interviews pertained to construction materials of houses and schools

  15. Computational study of cation substitutions in apatites

    International Nuclear Information System (INIS)

    Tamm, Toomas; Peld, Merike

    2006-01-01

    Density-functional theory plane-wave modeling of fluor- and hydroxyapatites has been performed, where one or two calcium ions per unit cell were replaced with cadmium or zinc cations. It was found that cadmium ions favor Ca(1) positions in fluorapatites and Ca(2) positions in hydroxyapatites, in agreement with experiment. A similar pattern is predicted for zinc substitutions. In the doubly substituted cases, where only hydroxyapatites were modeled, a preference for the substituting ions to be located in Ca(2) position was also observed. Displacement of the hydroxide ions from their symmetrical positions on the hexagonal axis can be used to explain the preferred configurations of substituting ions around the axis. -- Deformation of the hydroxide ion chain due to substitutions around the ion channel in substituted hydroxyapatites

  16. The Morishima Gross elasticity of substitution

    OpenAIRE

    Blackorby, Charles; Primont, Daniel; Russell, R. Robert

    2007-01-01

    We show that the Hotelling-Lau elasticity of substitution, an extension of the Allen-Uzawa elasticity to allow for optimal output-quantity (or utility) responses to changes in factor prices, inherits all of the failings of the Allen-Uzawa elasticity identified by Blackorby and Russell [1989 AER]. An analogous extension of the Morishima elasticity of substitution to allow for output quantity changes preserves the salient properties of the original Hicksian notion of elasticity of substitution.

  17. Recruitment Strategies and Costs Associated With Enrolling People With Insomnia and High Blood Pressure Into an Online Behavioral Sleep Intervention: A Single-Site Pilot Study.

    Science.gov (United States)

    Routledge, Faye S; Davis, Tara D; Dunbar, Sandra B

    Recruitment in clinical research is a common challenge and source of study failure. The reporting of recruitment methods and costs in hypertension trials is limited especially for smaller, single-site trials, online intervention trials, and trials using newer online recruitment strategies. The aims of this study are to describe and examine the feasibility of newer online-e-mail recruitment strategies and traditional recruitment strategies used to enroll participants with insomnia and high blood pressure into an online behavioral sleep intervention study (Sleeping for Heart Health). The 16 online-e-mail-based and traditional recruitment strategies used are described. Recruitment strategy feasibility was examined by study interest and enrollee yields, conversion rates, and costs (direct, remuneration, labor, and cost per enrollee). From August 2014 to October 2015, 183 people were screened and 58 (31.7%) enrolled in the study (51.1 ± 12.9 years, 63.8% female, 72.4% African American, 136 ± 12/88 ± 7 mm Hg, 87.9% self-reported hypertension, 67.2% self-reported antihypertensive medication use). The recruitment strategies yielding the highest enrollees were the university hospital phone waiting message system (25.4%), Craigslist (22.4%), and flyers (20.3%) at a per enrollee cost of $42.84, $98.90, and $128.27, respectively. The university hospital phone waiting message system (55.6%) and flyers (54.5%) had the highest interested participant to enrolled participant conversion rate of all recruitment strategies. Approximately 70% of all enrolled participants were recruited from the university hospital phone waiting message system, Craigslist, or flyers. Given the recruitment challenges that most researchers face, we encourage the documenting, assessing, and reporting of detailed recruitment strategies and associated recruitment costs so that other researchers may benefit.

  18. Combinatorial Alanine Substitution Enables Rapid Optimization of Cytochrome P450BM3 for Selective Hydroxylation of Large Substrates

    KAUST Repository

    Lewis, Jared C.; Mantovani, Simone M.; Fu, Yu; Snow, Christopher D.; Komor, Russell S.; Wong , Chi-Huey; Arnold, Frances H.

    2010-01-01

    Made for each other: Combinatorial alanine substitution of active site residues in a thermostable cytochrome P450BM3 variant was used to generate an enzyme that is active with large substrates. Selective hydroxylation of methoxymethylated

  19. Substitution dynamical systems spectral analysis

    CERN Document Server

    Queffélec, Martine

    2010-01-01

    This volume mainly deals with the dynamics of finitely valued sequences, and more specifically, of sequences generated by substitutions and automata. Those sequences demonstrate fairly simple combinatorical and arithmetical properties and naturally appear in various domains. As the title suggests, the aim of the initial version of this book was the spectral study of the associated dynamical systems: the first chapters consisted in a detailed introduction to the mathematical notions involved, and the description of the spectral invariants followed in the closing chapters. This approach, combined with new material added to the new edition, results in a nearly self-contained book on the subject. New tools - which have also proven helpful in other contexts - had to be developed for this study. Moreover, its findings can be concretely applied, the method providing an algorithm to exhibit the spectral measures and the spectral multiplicity, as is demonstrated in several examples. Beyond this advanced analysis, many...

  20. Controversial issues of maternity substitution

    Directory of Open Access Journals (Sweden)

    Andy Pușcă

    2009-06-01

    Full Text Available Substitute maternity consists in a woman carrying a pregnancy (the implant of an embryo, at therequest of a sterile couple, most of the times in exchange of a sum of money, with her commitment tounconditionally give away the newborn after birth to the couple she concluded the agreement with. Manycontroversies emerged in what concerns the contract between the sterile couple and the carrying mother,especially when this contract is by onerous title, which happens in most of the cases. In that a civil contract? Is ita sales contract for the child? Is it a contract to provide services? Is it body marketing? Between total prohibitionand excessive liberalism, the middle way, which is the regulation according to ethical religious, cultural andsocial norms of each community, represents a realistic solution.

  1. Substitution or addition? How overweight and obese adults incorporate vegetables into their diet during a randomized controlled vegetable feeding trial

    Science.gov (United States)

    Objective: When attempting to eat healthier, individuals may add vegetables to their diet (addition) without changing other eating behaviors. Alternatively, individuals adding vegetables may decrease consumption of other foods (substitution). Distinguishing between the two means of incorporation of ...

  2. Photoelectron Spectroscopy of Substituted Phenylnitrenes

    Science.gov (United States)

    Wijeratne, Neloni R.; Da Fonte, Maria; Wenthold, Paul G.

    2009-06-01

    Nitrenes are unusual molecular structures with unfilled electronic valences that are isoelectronic with carbenes. Although, both can be generated by either thermal or photochemical decomposition of appropriate precursors they usually exhibit different reactivities. In this work, we carry out spectroscopic studies of substituted phenylnitrene to determine how the introduction of substituents will affect the reactivity and its thermochemical properties. All studies were carried out by using the newly constructed time-of-flight negative ion photoelectron spectrometer (NIPES) at Purdue University. The 355 nm photoelectron spectra of the o-, m-, and p-chlorophenyl nitrene anions are fairly similar to that measured for phenylnitrene anion. All spectra show low energy triplet state and a high energy singlet state. The singlet state for the meta isomer is well-resolved, with a well defined origin and observable vibrational structure. Whereas the singlet states for the ortho and para isomers have lower energy onsets and no resolved structure. The isomeric dependence suggests that the geometry differences result from the resonance interaction between the nitrogen and the substituent. Quinoidal resonance structures are possible for the open-shell singlet states of the o- and p-chlorinated phenyl nitrenes. The advantages of this type of electronic structures for the open-shell singlet states is that the unpaired electrons can be more localized on separate atoms in the molecules, minimizing the repulsion between. Because the meta position is not in resonance with the nitrenes, substitution at that position should not affect the structure of the open-shell singlet state. The measured electron affinities (EA) of the triplet phenylnitrenes are in excellent agreement with the values predicted by electronic structure calculations. The largest EA, 1.82 eV is found for the meta isomer, with para being the smallest, 1.70 eV.

  3. Enhancement in magnetic properties of magnesium substituted bismuth ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jianlong; Xie, Dan, E-mail: xiedan@mail.tsinghua.edu.cn, E-mail: RenTL@mail.tsinghua.edu.cn; Teng, Changjiu; Zhang, Xiaowen; Zhang, Cheng; Sun, Yilin; Ren, Tian-Ling, E-mail: xiedan@mail.tsinghua.edu.cn, E-mail: RenTL@mail.tsinghua.edu.cn [Institute of Microelectronics, Tsinghua National Laboratory for Information Science and Technology (TNList), Tsinghua University, Beijing 100084 (China); Zeng, Min; Gao, Xingsen [Institute for Advanced Materials and Laboratory of Quantum Engineering and Quantum Materials, South China Normal University, Guangzhou 510006 (China); Zhao, Yonggang [Department of Physics and State Key Laboratory of Low-Dimensional Quantum Physics, Tsinghua University, Beijing 100084 (China)

    2015-06-14

    We report a potential way to effectively improve the magnetic properties of BiFeO{sub 3} (BFO) nanoparticles through Mg{sup 2+} ion substitution at the Fe-sites of BFO lattice. The high purity and structural changes induced by Mg doping are confirmed by X-ray powder diffractometer and Raman spectra. Enhanced magnetic properties are observed in Mg substituted samples, which simultaneously exhibit ferromagnetic and superparamagnetic properties at room temperature. A physical model is proposed to support the observed ferromagnetism of Mg doped samples, and the superparamagnetic properties are revealed by the temperature dependent magnetization measurements. The improved magnetic properties and soft nature obtained by Mg doping in BFO nanoparticles demonstrate the possibility of BFO nanoparticles to practical applications.

  4. Substitution of saturated fat in processed meat products: a review.

    Science.gov (United States)

    Ospina-E, J C; Sierra-C, A; Ochoa, O; Pérez-Álvarez, J A; Fernández-López, J

    2012-01-01

    The food industry is increasingly directing its efforts to produce and commercialize functional foods where the reduction or even elimination of saturated fat is an important goal. This situation arises from the concern of many institutions and individuals worldwide on the growth of non-transmissible diseases, particularly cardiovascular ones. This article presents a revision of the most important research carried out on processed meat products production and looks at the topic from two principal points of view: the nutritional and technological function of fat and the way in which it is gradually being replaced in the above-mentioned products. Many ingredients have been used to substitute fat but while the results concerning the nutritional composition of the final products are generally acceptable, the sensory aspects are not completely solved. This review emphasizes the use of plastic fats because they allow the highest fat substitution levels during its process and consumption without affecting the product behavior.

  5. Electric Power Distribution System Model Simplification Using Segment Substitution

    Energy Technology Data Exchange (ETDEWEB)

    Reiman, Andrew P.; McDermott, Thomas E.; Akcakaya, Murat; Reed, Gregory F.

    2018-05-01

    Quasi-static time-series (QSTS) simulation is used to simulate the behavior of distribution systems over long periods of time (typically hours to years). The technique involves repeatedly solving the load-flow problem for a distribution system model and is useful for distributed energy resource (DER) planning. When a QSTS simulation has a small time step and a long duration, the computational burden of the simulation can be a barrier to integration into utility workflows. One way to relieve the computational burden is to simplify the system model. The segment substitution method of simplifying distribution system models introduced in this paper offers model bus reduction of up to 98% with a simplification error as low as 0.2% (0.002 pu voltage). In contrast to existing methods of distribution system model simplification, which rely on topological inspection and linearization, the segment substitution method uses black-box segment data and an assumed simplified topology.

  6. Electric Power Distribution System Model Simplification Using Segment Substitution

    International Nuclear Information System (INIS)

    Reiman, Andrew P.; McDermott, Thomas E.; Akcakaya, Murat; Reed, Gregory F.

    2017-01-01

    Quasi-static time-series (QSTS) simulation is used to simulate the behavior of distribution systems over long periods of time (typically hours to years). The technique involves repeatedly solving the load-flow problem for a distribution system model and is useful for distributed energy resource (DER) planning. When a QSTS simulation has a small time step and a long duration, the computational burden of the simulation can be a barrier to integration into utility workflows. One way to relieve the computational burden is to simplify the system model. The segment substitution method of simplifying distribution system models introduced in this paper offers model bus reduction of up to 98% with a simplification error as low as 0.2% (0.002 pu voltage). Finally, in contrast to existing methods of distribution system model simplification, which rely on topological inspection and linearization, the segment substitution method uses black-box segment data and an assumed simplified topology.

  7. Structural and magnetic study of dysprosium substituted cobalt ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Hemaunt, E-mail: hvatsal@gmail.com [Department of Physics, Govind Ballabh Pant University of Agr. & Technology, Pantnagar, Uttarakhand 263145 (India); Srivastava, R.C. [Department of Physics, Govind Ballabh Pant University of Agr. & Technology, Pantnagar, Uttarakhand 263145 (India); Pal Singh, Jitendra [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul 02792 (Korea, Republic of); Negi, P. [Department of Physics, Govind Ballabh Pant University of Agr. & Technology, Pantnagar, Uttarakhand 263145 (India); Agrawal, H.M. [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul 02792 (Korea, Republic of); Das, D. [UGC-DAE CSR Kolkata Centre, Kolkata 700098 (India); Hwa Chae, Keun [Advanced Analysis Centre, Korea Institute of Science and Technology, Seoul 02792 (Korea, Republic of)

    2016-03-01

    The present work investigates the magnetic behavior of Dy{sup 3+} substituted cobalt ferrite nanoparticles. X-ray diffraction studies reveal presence of cubic spinel phases in these nanoparticles. Raman spectra of these nanoparticles show change in intensity of Raman bands, which reflects cation redistribution in cubic spinel lattice. Saturation magnetization and coercivity decrease with increase of Dy{sup 3+}concentration in these nanoparticles. Room temperature Mössbauer measurements show the cation redistribution in these nanoparticles and corroborates the results obtained from Raman Spectroscopic measurements. Decrease in magnetization of Dy{sup 3+} substituted cobalt ferrite is attributed to the reduction in the magnetic interaction and cation redistribution. - Highlights: • Slight decrease in crystallite size after Dy{sup 3+} doping. • Saturation magnetization and coercivity decrease after Dy{sup 3+} doping. • Mössbauer measurements show the cation redistribution in the samples.

  8. The influence of substituting Si for Co on the magnetic properties of PrCo5

    International Nuclear Information System (INIS)

    Coroian, N.; Klosek, V.; Isnard, O.

    2007-01-01

    The crystal structure and magnetic properties of the PrCo 4.5 Si 0.5 compound have been investigated. PrCo 4.5 Si 0.5 is found to be ferromagnetic in the whole ordered region with a CaCu 5 crystal structure type. The Si for Co substitution induces an important reduction of the Curie temperature (T C ), T C that reaches 645(2)K. At 4K, the saturation magnetization is 8.0μ B /f.u. Powder neutron diffraction data show that the Co atoms from non-equivalent atomic sites (2c, 3g) are exhibiting a similar magnetic behavior. The magnitude of the atomic magnetic moments diminishes with increasing temperature. At low temperatures, the magnetic moments are tilted away from the c-axis. As the temperature increases the magnetic moments become parallel to it. This spin reorientation is observed between 50 and 90K in PrCo 4.5 Si 0.5 . At 300K the atomic magnetic moments are μ Co 2c =1.19(3)μ B , μ Co 3g =0.98(3)μ B , μ Pr =0.59(8)μ B being aligned along the c-axis. The Si atoms are localized exclusively at the 3g site, thus favoring an enhancement of the uniaxial anisotropy

  9. 113Cd-NMR investigation of a cadmium-substituted copper, zinc-containing superoxide dismutase from yeast

    DEFF Research Database (Denmark)

    Kofod, Pauli; Bauer, Rogert; Danielsen, Eva

    1991-01-01

    113Cd nuclear magnetic resonance spectroscopy has been used to investigate the metal binding sites of cadmium-substituted copper,zinc-containing superoxide dismutase from baker's yeast. NMR signals were obtained for 113Cd(II) at the Cu site as well as for 113Cd(II) at the Zn site. The two subunits...

  10. Type Substitution for Object-Oriented Programming

    DEFF Research Database (Denmark)

    Schwartzbach, Michael Ignatieff; Palsberg, Jens

    1990-01-01

    Genericity allows the substitution of types in a class. This is usually obtained through parameterized classes, although they are inflexible since any class can be inherited but is not in itself parameterized. We suggest a new genericity mechanism, type substitution, which is a subclassing concep...

  11. Multisensory integration, sensory substitution and visual rehabilitation

    DEFF Research Database (Denmark)

    Proulx, Michael J; Ptito, Maurice; Amedi, Amir

    2014-01-01

    Sensory substitution has advanced remarkably over the past 35 years since first introduced to the scientific literature by Paul Bach-y-Rita. In this issue dedicated to his memory, we describe a collection of reviews that assess the current state of neuroscience research on sensory substitution...

  12. Educators Take Another Look at Substitutes

    Science.gov (United States)

    Zubrzycki, Jaclyn

    2012-01-01

    The mythology surrounding the substitute teacher is not a pretty one: Paper airplanes, lost learning, bullying. But as schools collect more information about teacher absenteeism and its consequences, districts and schools are exploring ways to professionalize substitute teaching--or experiment with alternative ways of coping with teacher absences.…

  13. Low temperature transport anomaly in Cr substituted (La{sub 0.67}Sr{sub 0.33})MnO{sub 3} manganites

    Energy Technology Data Exchange (ETDEWEB)

    Tank, Tejas M., E-mail: tejas.physics2020@gmail.com [Solid State Physics Laboratory, Department of Physics, Barkatullah University, Bhopal-462 026 (India); Shelke, Vilas [Solid State Physics Laboratory, Department of Physics, Barkatullah University, Bhopal-462 026 (India); Das, Sarmistha; Rana, D.S. [Department of Physics, Indian Institute of Scientific Education and Research, Bhopal-462 023 (India); Thaker, C.M. [M.V.M. Science and Home Science College, Rajkot-360 005 (India); Samatham, S.S.; Ganesan, V. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore-452 001 (India); Sanyal, S.P. [Solid State Physics Laboratory, Department of Physics, Barkatullah University, Bhopal-462 026 (India)

    2017-06-15

    Highlights: • The effect of Cr substitution at the Mn-site of La{sub 0.67}Sr{sub 0.33}MnO{sub 3} has been studied. • Electrical and magnetic behaviors correlate with various theoretical models. • First time the low temperature transport anomaly has been explained in terms of e-e scattering phenomenon. • This study shows that FM interaction among Cr{sup 3+} and Mn{sup 3+} is like to the traditional Mn{sup 3+}-O{sup 2−}-Mn{sup 4+} process. - Abstract: The structural, electrical, and magnetic properties of La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}Cr{sub x}O{sub 3} (0 ≤ x ≤ 0.10) manganites have been studied by substitution of antiferromagnetic trivalent Cr ion at Mn-site. Systematic efforts have been carried out to understand the electrical resistivity behavior in the ferromagnetic metallic and paramagnetic semi-conducting phases of Cr substituted La{sub 0.67}Sr{sub 0.33}Mn{sub 1−x}Cr{sub x}O{sub 3} manganites. Polycrystalline samples show a resistivity minimum at a temperature (T{sub min}) of <40 K in the ferromagnetic metallic phase. T{sub min} shifts to higher temperatures on application of magnetic fields. The appearance of this resistivity minimum was analyzed by fittings the data according to the model that considers e-e scattering caused by enhanced Coulombic interactions. The electrical resistivity data has been best fitted in the metallic and semiconducting regime using various models. Present results suggest that intrinsic magnetic inhomogeneity like Cr{sup 3+} ions in these strongly electron-correlated manganite systems is originating due to the existence of the ferromagnetic interactions.

  14. Hyperfine interactions associated with iron substitute superconducting oxides

    International Nuclear Information System (INIS)

    Ellis, D.E.; Dunlap, B.D.; Saitovitch, E.B.; Azevedo, I.S.; Scorzelli, R.B.; Kimball, C.W.

    1988-01-01

    Theoretical and experimental Moessbauer spectroscopy studies have been made concerning charge and spin densities and magnetic hyperfine fields (H hf in iron-substituted superconducting oxides. Calculations were carried out in the self-consistent-field embedded cluster model using local density theory (SCF-Xα) with a variational atomic orbital basis. Spectral densities and changes in charge and spin density were monitored around neighboring Cu sites, as well as Fe impurity site, in La 2 Cu 1-x Fe x O 4 and YBa 2 Cu 3-x Fe x O 7-y compounds. Moessbauer isomer shifts (IS), quadrupole splittings (QS) and H hf are obtained by fitting multiline models to the observed spectra and are compared with SCF-Xα results for specific lattice sites. The influence of oxygen vacancies and partial oxygen disorder is modelled and compared with the experimental data on variable oxygen content and disorder. (author)

  15. Substitution between cars within the household

    DEFF Research Database (Denmark)

    De Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

    2016-01-01

    In this paper we study the demand for car kilometres in two-car households, focusing on the substitution between cars of different fuel efficiency in response to fuel price changes. We use a large sample of detailed Danish data on two-car households to estimate – for each car owned by the household...... – own and cross-price effects of increases in fuel costs per kilometre. The empirical results show that failure to capture substitution between cars within the household can result in substantial misspecification biases. Ignoring substitution, the basic model yielded fuel price elasticities of 0.......98 and 1.41 for the primary and secondary cars, respectively. Accounting for substitution effects, these figures reduce to, respectively, 0.32 and 0.45. Consistent with substitution behaviour, we find that the fuel price elasticity of fuel demand exceeds the elasticity of kilometre demands with respect...

  16. Elasticity of Substitution and Antidumping Measures

    DEFF Research Database (Denmark)

    Drud Hansen, Jørgen; Meinen, Philipp; Nielsen, Jørgen Ulff-Møller

    Abstract This paper analyzes the role of the elasticity of substitution for anti-dumping decisions across countries. In monopolistic competition models with cost heterogeneous firms across countries, price differences vary inversely with the elasticity of substitution. Anti-dumping duties should...... therefore also vary inversely with the elasticity of substitution at least for countries which have a strong focus on prices in the determination of their anti-dumping measures. We test this for ten countries from 1990 to 2009 using data on anti-dumping from Chad Bown (2010) and US-data at 8-digit level...... in our empirical investigation support the predicted role of the elasticity of substitution as we find a significant negative relation between the elasticity of substitution and the final anti-dumping duties for the ‘lesser duty rule’ group of countries. The countries which do not follow the ‘lesser duty...

  17. Contribution of single amino acid and codon substitutions to the production and secretion of a lipase by Bacillus subtilis.

    Science.gov (United States)

    Skoczinski, Pia; Volkenborn, Kristina; Fulton, Alexander; Bhadauriya, Anuseema; Nutschel, Christina; Gohlke, Holger; Knapp, Andreas; Jaeger, Karl-Erich

    2017-09-25

    Bacillus subtilis produces and secretes proteins in amounts of up to 20 g/l under optimal conditions. However, protein production can be challenging if transcription and cotranslational secretion are negatively affected, or the target protein is degraded by extracellular proteases. This study aims at elucidating the influence of a target protein on its own production by a systematic mutational analysis of the homologous B. subtilis model protein lipase A (LipA). We have covered the full natural diversity of single amino acid substitutions at 155 positions of LipA by site saturation mutagenesis excluding only highly conserved residues and qualitatively and quantitatively screened about 30,000 clones for extracellular LipA production. Identified variants with beneficial effects on production were sequenced and analyzed regarding B. subtilis growth behavior, extracellular lipase activity and amount as well as changes in lipase transcript levels. In total, 26 LipA variants were identified showing an up to twofold increase in either amount or activity of extracellular lipase. These variants harbor single amino acid or codon substitutions that did not substantially affect B. subtilis growth. Subsequent exemplary combination of beneficial single amino acid substitutions revealed an additive effect solely at the level of extracellular lipase amount; however, lipase amount and activity could not be increased simultaneously. Single amino acid and codon substitutions can affect LipA secretion and production by B. subtilis. Several codon-related effects were observed that either enhance lipA transcription or promote a more efficient folding of LipA. Single amino acid substitutions could improve LipA production by increasing its secretion or stability in the culture supernatant. Our findings indicate that optimization of the expression system is not sufficient for efficient protein production in B. subtilis. The sequence of the target protein should also be considered as an

  18. Design, synthesis, and initial evaluation of D-glyceraldehyde crosslinked gelatin-hydroxyapatite as a potential bone graft substitute material

    Science.gov (United States)

    Florschutz, Anthony Vatroslav

    Utilization of bone grafts for the treatment of skeletal pathology is a common practice in orthopaedic, craniomaxillofacial, dental, and plastic surgery. Autogenous bone graft is the established archetype but has disadvantages including donor site morbidity, limited supply, and prolonging operative time. In order to avoid these and other issues, bone graft substitute materials are becoming increasingly prevalent among surgeons for reconstructing skeletal defects and arthrodesis applications. Bone graft substitutes are biomaterials, biologics, and guided tissue/bone regenerative devices that can be used alone or in combinations as supplements or alternatives to autogenous bone graft. There is a growing interest and trend to specialize graft substitutes for specific indications and although there is good rationale for this indication-specific approach, the development and utility of a more universal bone graft substitute may provide a better answer for patients and surgeons. The aim of the present research focuses on the design, synthesis, and initial evaluation of D-glyceraldehyde crosslinked gelatin-hydroxyapatite composites for potential use as a bone graft substitutes. After initial establishment of rational material design, gelatinhydroxyapatite scaffolds were fabricated with different gelatin:hydroxyapatite ratios and crosslinking concentrations. The synthesized scaffolds were subsequently evaluated on the basis of their swelling behavior, porosity, density, percent composition, mechanical properties, and morphology and further assessed with respect to cell-biomaterial interaction and biomineralization in vitro. Although none of the materials achieved mechanical properties suitable for structural graft applications, a reproducible material design and synthesis was achieved with properties recognized to facilitate bone formation. Select scaffold formulations as well as a subset of scaffolds loaded with recombinant human bone morphogenetic protein-2 were

  19. Substituted Hydroxyapatites with Antibacterial Properties

    Directory of Open Access Journals (Sweden)

    Joanna Kolmas

    2014-01-01

    Full Text Available Reconstructive surgery is presently struggling with the problem of infections located within implantation biomaterials. Of course, the best antibacterial protection is antibiotic therapy. However, oral antibiotic therapy is sometimes ineffective, while administering an antibiotic at the location of infection is often associated with an unfavourable ratio of dosage efficiency and toxic effect. Thus, the present study aims to find a new factor which may improve antibacterial activity while also presenting low toxicity to the human cells. Such factors are usually implemented along with the implant itself and may be an integral part of it. Many recent studies have focused on inorganic factors, such as metal nanoparticles, salts, and metal oxides. The advantages of inorganic factors include the ease with which they can be combined with ceramic and polymeric biomaterials. The following review focuses on hydroxyapatites substituted with ions with antibacterial properties. It considers materials that have already been applied in regenerative medicine (e.g., hydroxyapatites with silver ions and those that are only at the preliminary stage of research and which could potentially be used in implantology or dentistry. We present methods for the synthesis of modified apatites and the antibacterial mechanisms of various ions as well as their antibacterial efficiency.

  20. Substituted Hydroxyapatites with Antibacterial Properties

    Science.gov (United States)

    Kolmas, Joanna; Groszyk, Ewa; Kwiatkowska-Różycka, Dagmara

    2014-01-01

    Reconstructive surgery is presently struggling with the problem of infections located within implantation biomaterials. Of course, the best antibacterial protection is antibiotic therapy. However, oral antibiotic therapy is sometimes ineffective, while administering an antibiotic at the location of infection is often associated with an unfavourable ratio of dosage efficiency and toxic effect. Thus, the present study aims to find a new factor which may improve antibacterial activity while also presenting low toxicity to the human cells. Such factors are usually implemented along with the implant itself and may be an integral part of it. Many recent studies have focused on inorganic factors, such as metal nanoparticles, salts, and metal oxides. The advantages of inorganic factors include the ease with which they can be combined with ceramic and polymeric biomaterials. The following review focuses on hydroxyapatites substituted with ions with antibacterial properties. It considers materials that have already been applied in regenerative medicine (e.g., hydroxyapatites with silver ions) and those that are only at the preliminary stage of research and which could potentially be used in implantology or dentistry. We present methods for the synthesis of modified apatites and the antibacterial mechanisms of various ions as well as their antibacterial efficiency. PMID:24949423

  1. Substitution and complementarity of alcohol and cannabis: A review of the literature

    Science.gov (United States)

    2016-01-01

    Background Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. Objective This paper is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Method Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with ‘alcohol’ (or ‘ethanol’) and ‘cannabis’ (or ‘marijuana”) and ‘complement*’ (or ‘substitut*’) in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Results Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Conclusions Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis. PMID:27249324

  2. Substitution and Complementarity of Alcohol and Cannabis: A Review of the Literature.

    Science.gov (United States)

    Subbaraman, Meenakshi Sabina

    2016-09-18

    Whether alcohol and cannabis are used as substitutes or complements remains debated, and findings across various disciplines have not been synthesized to date. This article is a first step towards organizing the interdisciplinary literature on alcohol and cannabis substitution and complementarity. Electronic searches were performed using PubMed and ISI Web of Knowledge. Behavioral studies of humans with "alcohol" (or "ethanol") and "cannabis" (or "marijuana") and "complement(*)" (or "substitut(*)") in the title or as a keyword were considered. Studies were organized according to sample characteristics (youth, general population, clinical and community-based). These groups were not set a priori, but were informed by the literature review process. Of the 39 studies reviewed, 16 support substitution, ten support complementarity, 12 support neither and one supports both. Results from studies of youth suggest that youth may reduce alcohol in more liberal cannabis environments (substitute), but reduce cannabis in more stringent alcohol environments (complement). Results from the general population suggest that substitution of cannabis for alcohol may occur under more lenient cannabis policies, though cannabis-related laws may affect alcohol use differently across genders and racial groups. Alcohol and cannabis act as both substitutes and complements. Policies aimed at one substance may inadvertently affect consumption of other substances. Future studies should collect fine-grained longitudinal, prospective data from the general population and subgroups of interest, especially in locations likely to legalize cannabis.

  3. Son, you’re smoking on Facebook! College students’ disclosures on social networking sites as indicators of real-life risk behaviors

    NARCIS (Netherlands)

    van Hoof, Joris Jasper; Bekkers, Jeroen; van Vuuren, Hubrecht A.

    2014-01-01

    Health risk behavior in student populations is an issue of major concern, and students’ risk levels are difficult to determine. In this study, we explore the extent to which information disclosed publicly on Facebook provides reliable indications of five real-life health behaviors. Questionnaire

  4. Non-isovalent alkali metal ''substitution'' in YBa2Cu3O7-y granular ceramics

    International Nuclear Information System (INIS)

    Cloots, R.; Liege Univ.; Rulmont, A.; Pekala, M.; Liege Univ.; Laval, J.Y.; Bougrine, H.; Liege Univ.; Ausloos, M.

    1995-01-01

    The aim of this paper is to study the influence of non-isovalent ''doping'' in YBa 2 Cu 3 O 7-y in particular on its synthesis conditions and on the resistive properties both with and without a magnetic field. We concentrate on the study of possible alkali ions (Na, K, Cs) ''substitution'' at the barium sites. A low temperature sintering process is used in order to induce a reactive liquid phase. The final chemical composition is discussed as a function of the amount of the liquid phase. No alkali ion is substituted. Carbonate layers are present. However, this (lack of) ''substitution'' leads to induced vacancies and improved electrical transport properties which are as good as in highly pure materials. For conciseness the case of Na ''substitution'' only is illustrated. The use of such data in order to probe the microstructure is emphasized. (orig.)

  5. The magnetic properties of strontium hexaferrites with La-Cu substitution prepared by SHS method

    International Nuclear Information System (INIS)

    Qiao Liang; You Lishun; Zheng Jingwu; Jiang Liqiang; Sheng Jiawei

    2007-01-01

    La-Cu substituted strontium hexaferrites with the chemical composition of Sr 1- x La x Fe 12- x Cu x O 19 were prepared by self-propagating high-temperature synthesis. The effects of La-Cu substitution on the microstructure and magnetic properties of Sr-ferrites were studied. The XRD results show that all the samples are single SrM-type phase for x 1- x La x Fe 12- x Cu x O 19 are remarkably improved for x 2+ by La 3+ in the Sr-layer makes the Cu 2+ preferably substitutes the Fe 3+ in 4f 2 sites is predicted to be associated with the improvement of the magnetic properties of La-Cu substituted samples

  6. Neutron diffraction study of Fe-substituted YBa2Cu3O7

    International Nuclear Information System (INIS)

    Balagurov, A.M.; Mironova, G.M.; Pajaczkowska, A.; Piechota, J.; Shimchak, Kh.

    1989-01-01

    Neutron diffraction spectra of YBa 2 (Cu 1-x Fe x )O 7-δ (0 2 planes were determined. It is significant that the doped iron atoms occupy both of the copper site. The substitution of Fe for Cu in (2q) site is proportional to the concentration of iron in the sample. For small x there are a considerable amount of vacancies (10%) in the Cu1 site, which disappear quickly if x increases. Therefore, a joint effect of Cu substitution and the filling in vacancies by Fe occures for the Cu1 site. The amount of oxygen in samples increases with x up to 7.06 for x=0.12. Any visible effect of location of Fe at the Ba site is absent, but we can not exclude it completely. 20 refs.; 4 figs.; 1 tab

  7. Micellization Behavior of Long-Chain Substituted Alkylguanidinium Surfactants

    Directory of Open Access Journals (Sweden)

    Roza Bouchal

    2016-02-01

    Full Text Available Surface activity and micelle formation of alkylguanidinium chlorides containing 10, 12, 14 and 16 carbon atoms in the hydrophobic tail were studied by combining conductivity and surface tension measurements with isothermal titration calorimetry. The purity of the resulting surfactants, their temperatures of Cr→LC and LC→I transitions, as well as their propensity of forming birefringent phases, were assessed based on the results of 1H and 13C NMR, differential scanning calorimetry (DSC, and polarizing microscopy studies. Whenever possible, the resulting values of Krafft temperature (TK, critical micelle concentration (CMC, minimum surface tension above the CMC, chloride counter-ion binding to the micelle, and the standard enthalpy of micelle formation per mole of surfactant (ΔmicH° were compared to those characterizing alkyltrimethylammonium chlorides or bromides with the same tail lengths. The value of TK ranged between 292 and 314 K and increased strongly with the increase in the chain length of the hydrophobic tail. Micellization was described as both entropy and enthalpy-driven. Based on the direct calorimetry measurements, the general trends in the CMC with the temperature, hydrophobic tail length, and NaCl addition were found to be similar to those of other types of cationic surfactants. The particularly exothermic character of micellization was ascribed to the hydrogen-binding capacity of the guanidinium head-group.

  8. Hyperfine interactions in iron substituted high-Tc superconducting oxides

    International Nuclear Information System (INIS)

    Ellis, D.E.; Saitovitch, E.B.; Lam, D.J.

    1991-01-01

    The hyperfine interactions in Fe substituted copper oxide ternary and quaternary compounds with perovskite-related structures are studied, using the Local Density theory in an embedded cluster approach. The self-consistent electronic structure is examined for Cu and Fe sites in a number of plausible local geometries representative of La 2 Cu O 4 , YBa 2 Cu 3 O 7-δ and related materials. Moessbauer isomer shifts, electric fields gradients, magnetic moments, and contact hyperfine fields are presented for comparison with experiment and discussed in light of lattice structure data. (author)

  9. Synthesis, characterization and structural refinement of polycrystalline uranium substituted zirconolite

    International Nuclear Information System (INIS)

    Shrivastava, O.P.; Narendra Kumar; Sharma, I.B.

    2005-01-01

    Ceramic precursors of Zirconolite (CaZrTi 2 O 7 ) family have a remarkable property of substitution Zr 4+ cationic sites. This makes them potential material for nuclear waste management in 'synroc' technology. In order to simulate the mechanism of partial substitution of zirconium by tetravalent actinides, a solid phase of composition CaZr 0.95 U 0.5 Ti 2 O 7 has been synthesized through ceramic route by taking calculated quantities of oxides of Ca, Ti and nitrates of uranium and zirconium respectively. Solid state synthesis has been carried out by repeated pelletizing and sintering the finely powdered oxide mixture in a muffle furnace at 1050 degC. The polycrystalline solid phase has been characterized by its typical powder diffraction pattern. Step analysis data has been used for ab initio calculation of structural parameters. The uranium substituted zirconolite crystallizes in monoclinic symmetry with space group C2/c (15). The following unit cell parameters have been calculated: a =12.4883(15), b =7.2448(5), c 11.3973(10) and β = 100.615(9)0. The structure was refined to satisfactory completion. The Rp and Rwp are found to be 7.48% and 9.74% respectively. (author)

  10. Modeling competitive substitution in a polyelectrolyte complex

    International Nuclear Information System (INIS)

    Peng, B.; Muthukumar, M.

    2015-01-01

    We have simulated the invasion of a polyelectrolyte complex made of a polycation chain and a polyanion chain, by another longer polyanion chain, using the coarse-grained united atom model for the chains and the Langevin dynamics methodology. Our simulations reveal many intricate details of the substitution reaction in terms of conformational changes of the chains and competition between the invading chain and the chain being displaced for the common complementary chain. We show that the invading chain is required to be sufficiently longer than the chain being displaced for effecting the substitution. Yet, having the invading chain to be longer than a certain threshold value does not reduce the substitution time much further. While most of the simulations were carried out in salt-free conditions, we show that presence of salt facilitates the substitution reaction and reduces the substitution time. Analysis of our data shows that the dominant driving force for the substitution process involving polyelectrolytes lies in the release of counterions during the substitution

  11. The use of orthologous sequences to predict the impact of amino acid substitutions on protein function.

    Directory of Open Access Journals (Sweden)

    Nicholas J Marini

    2010-05-01

    Full Text Available Computational predictions of the functional impact of genetic variation play a critical role in human genetics research. For nonsynonymous coding variants, most prediction algorithms make use of patterns of amino acid substitutions observed among homologous proteins at a given site. In particular, substitutions observed in orthologous proteins from other species are often assumed to be tolerated in the human protein as well. We examined this assumption by evaluating a panel of nonsynonymous mutants of a prototypical human enzyme, methylenetetrahydrofolate reductase (MTHFR, in a yeast cell-based functional assay. As expected, substitutions in human MTHFR at sites that are well-conserved across distant orthologs result in an impaired enzyme, while substitutions present in recently diverged sequences (including a 9-site mutant that "resurrects" the human-macaque ancestor result in a functional enzyme. We also interrogated 30 sites with varying degrees of conservation by creating substitutions in the human enzyme that are accepted in at least one ortholog of MTHFR. Quite surprisingly, most of these substitutions were deleterious to the human enzyme. The results suggest that selective constraints vary between phylogenetic lineages such that inclusion of distant orthologs to infer selective pressures on the human enzyme may be misleading. We propose that homologous proteins are best used to reconstruct ancestral sequences and infer amino acid conservation among only direct lineal ancestors of a particular protein. We show that such an "ancestral site preservation" measure outperforms other prediction methods, not only in our selected set for MTHFR, but also in an exhaustive set of E. coli LacI mutants.

  12. Search for thermoelectrics with high figure of merit in half-Heusler compounds with multinary substitution

    Science.gov (United States)

    Choudhary, Mukesh K.; Ravindran, P.

    2018-04-01

    In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 is investigated using the full potential linearized augmented plane wave method and the thermoelectric transport properties are calculated on the basis of semi-classical Boltzmann transport theory. Our band structure calculations show that Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 has semiconducting behavior with indirect band gap value of 0.98 eV which follow the empirical rule of 18 valence-electron content to bring semiconductivity in half Heusler compounds, indicating that one can have semiconducting behavior in multinary phase of half Heusler compounds if they full fill the 18 VEC rule and this open-up the possibility of designing thermoelectrics with high figure of merit in half Heusler compounds. We show that at high temperature of around 700K Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 has high thermoelectric figure of merit of ZT = 1.05 which is higher than that of TiCoSb (˜ 0.95) suggesting that by going from ternary to multinary phase system one can enhance the thermoelectric figure of merit at higher temperatures.

  13. Determinants of generic drug substitution in Switzerland

    Directory of Open Access Journals (Sweden)

    Lufkin Thomas M

    2011-01-01

    Full Text Available Abstract Background Since generic drugs have the same therapeutic effect as the original formulation but at generally lower costs, their use should be more heavily promoted. However, a considerable number of barriers to their wider use have been observed in many countries. The present study examines the influence of patients, physicians and certain characteristics of the generics' market on generic substitution in Switzerland. Methods We used reimbursement claims' data submitted to a large health insurer by insured individuals living in one of Switzerland's three linguistic regions during 2003. All dispensed drugs studied here were substitutable. The outcome (use of a generic or not was modelled by logistic regression, adjusted for patients' characteristics (gender, age, treatment complexity, substitution groups and with several variables describing reimbursement incentives (deductible, co-payments and the generics' market (prices, packaging, co-branded original, number of available generics, etc.. Results The overall generics' substitution rate for 173,212 dispensed prescriptions was 31%, though this varied considerably across cantons. Poor health status (older patients, complex treatments was associated with lower generic use. Higher rates were associated with higher out-of-pocket costs, greater price differences between the original and the generic, and with the number of generics on the market, while reformulation and repackaging were associated with lower rates. The substitution rate was 13% lower among hospital physicians. The adoption of the prescribing practices of the canton with the highest substitution rate would increase substitution in other cantons to as much as 26%. Conclusions Patient health status explained a part of the reluctance to substitute an original formulation by a generic. Economic incentives were efficient, but with a moderate global effect. The huge interregional differences indicated that prescribing behaviours and

  14. Epistasis increases the rate of conditionally neutral substitution in an adapting population.

    Science.gov (United States)

    Draghi, Jeremy A; Parsons, Todd L; Plotkin, Joshua B

    2011-04-01

    Kimura observed that the rate of neutral substitution should equal the neutral mutation rate. This classic result is central to our understanding of molecular evolution, and it continues to influence phylogenetics, genomics, and the interpretation of evolution experiments. By demonstrating that neutral mutations substitute at a rate independent of population size and selection at linked sites, Kimura provided an influential justification for the idea of a molecular clock and emphasized the importance of genetic drift in shaping molecular evolution. But when epistasis among sites is common, as numerous empirical studies suggest, do neutral mutations substitute according to Kimura's expectation? Here we study simulated, asexual populations of RNA molecules, and we observe that conditionally neutral mutations--i.e., mutations that do not alter the fitness of the individual in which they arise, but that may alter the fitness effects of subsequent mutations--substitute much more often than expected while a population is adapting. We quantify these effects using a simple population-genetic model that elucidates how the substitution rate at conditionally neutral sites depends on the population size, mutation rate, strength of selection, and prevalence of epistasis. We discuss the implications of these results for our understanding of the molecular clock, and for the interpretation of molecular variation in laboratory and natural populations.

  15. Sensory Substitution and Multimodal Mental Imagery.

    Science.gov (United States)

    Nanay, Bence

    2017-09-01

    Many philosophers use findings about sensory substitution devices in the grand debate about how we should individuate the senses. The big question is this: Is "vision" assisted by (tactile) sensory substitution really vision? Or is it tactile perception? Or some sui generis novel form of perception? My claim is that sensory substitution assisted "vision" is neither vision nor tactile perception, because it is not perception at all. It is mental imagery: visual mental imagery triggered by tactile sensory stimulation. But it is a special form of mental imagery that is triggered by corresponding sensory stimulation in a different sense modality, which I call "multimodal mental imagery."

  16. Biologic and synthetic skin substitutes: An overview

    OpenAIRE

    Halim, Ahmad Sukari; Khoo, Teng Lye; Mohd. Yussof, Shah Jumaat

    2010-01-01

    The current trend of burn wound care has shifted to more holistic approach of improvement in the long-term form and function of the healed burn wounds and quality of life. This has demanded the emergence of various skin substitutes in the management of acute burn injury as well as post burn reconstructions. Skin substitutes have important roles in the treatment of deep dermal and full thickness wounds of various aetiologies. At present, there is no ideal substitute in the market. Skin substit...

  17. Amino acid substitutions in random mutagenesis libraries: lessons from analyzing 3000 mutations.

    Science.gov (United States)

    Zhao, Jing; Frauenkron-Machedjou, Victorine Josiane; Kardashliev, Tsvetan; Ruff, Anna Joëlle; Zhu, Leilei; Bocola, Marco; Schwaneberg, Ulrich

    2017-04-01

    The quality of amino acid substitution patterns in random mutagenesis libraries is decisive for the success in directed evolution campaigns. In this manuscript, we provide a detailed analysis of the amino acid substitutions by analyzing 3000 mutations of three random mutagenesis libraries (1000 mutations each; epPCR with a low-mutation and a high-mutation frequency and SeSaM-Tv P/P) employing lipase A from Bacillus subtilis (bsla). A comparison of the obtained numbers of beneficial variants in the mentioned three random mutagenesis libraries with a site saturation mutagenesis (SSM) (covering the natural diversity at each amino acid position of BSLA) concludes the diversity analysis. Seventy-six percent of the SeSaM-Tv P/P-generated substitutions yield chemically different amino acid substitutions compared to 64% (epPCR-low) and 69% (epPCR-high). Unique substitutions from one amino acid to others are termed distinct amino acid substitutions. In the SeSaM-Tv P/P library, 35% of all theoretical distinct amino acid substitutions were found in the 1000 mutation library compared to 25% (epPCR-low) and 26% (epPCR-high). Thirty-six percent of distinct amino acid substitutions found in SeSaM-Tv P/P were unobtainable by epPCR-low. Comparison with the SSM library showed that epPCR-low covers 15%, epPCR-high 18%, and SeSaM-Tv P/P 21% of obtainable beneficial amino acid positions. In essence, this study provides first insights on the quality of epPCR and SeSaM-Tv P/P libraries in terms of amino acid substitutions, their chemical differences, and the number of obtainable beneficial amino acid positions.

  18. Regioselective photoisomerizations of bridgehead substituted dibenzobarrelenes and benzonorbornadienes. The implication of excited-state secondary deuterium isotope effects of benzo-vinyl bridging

    International Nuclear Information System (INIS)

    Paquette, L.A.; Bay, E.

    1982-01-01

    Replacement of a bridgehead hydrogen by deuterium in substituted dibenzobarrelenes and benzonorbornadienes leads to k/sub H//k/sub D/ values of 1.11-1.27 (cyclopropyl substitution disfavored); these effects are opposite to those seen with other substitutents (except bromine) and demand that bridged radicals be formed reversibly or not at all. Since results demonstrate that the influence of bridgehead substitutents is clearly large, it is possible that pendant functional groups at each of the available sites exert their influence in a direct concerted manner. At least three intriguing studies now become worthy of immediate attention. In the first, benzonorbornadienes that are differently substituted at the bridgehead sites may serve as exceptionally sensitive probes of relative radical stabilization capabilities in the excited state. Direct competition experiments of this sort are unprecedented. Secondly, it becomes important to assess the relative controlling powers of bridgehead/aryl and bridgehead/vinyl substitutent combinations

  19. Wheel running, voluntary ethanol consumption, and hedonic substitution.

    Science.gov (United States)

    Ozburn, Angela Renee; Harris, R Adron; Blednov, Yuri A

    2008-08-01

    Few studies have examined the relationship between naturally rewarding behaviors and ethanol drinking behaviors in mice. Although natural and drug reinforcers activate similar brain circuitry, there is behavioral evidence suggesting food and drug rewards differ in perceived value. The primary goal of the present study was to investigate the relationships between naturally reinforcing stimuli and consumption of ethanol in ethanol preferring C57BL/6J mice. Mouse behaviors were observed after the following environmental manipulations: standard or enhanced environment, accessible or inaccessible wheel, and presence or absence of ethanol. Using a high-resolution volumetric drinking monitor and wheel running monitor, we evaluated whether alternating access to wheel running modified ethanol-related behaviors and whether alternating access to ethanol modified wheel running or subsequent ethanol-related behaviors. We found that ethanol consumption remains stable with alternating periods of wheel running. Wheel running increases in the absence of ethanol and decreases upon reintroduction of ethanol. Upon reintroduction of ethanol, an alcohol deprivation effect was seen. Collectively, the results support theories of hedonic substitution and suggest that female C57BL/6J mice express ethanol seeking and craving under these specific conditions.

  20. Cold-Induced Thermogenesis and Inflammation-Associated Cold-Seeking Behavior Are Represented by Different Dorsomedial Hypothalamic Sites: A Three-Dimensional Functional Topography Study in Conscious Rats.

    Science.gov (United States)

    Wanner, Samuel P; Almeida, M Camila; Shimansky, Yury P; Oliveira, Daniela L; Eales, Justin R; Coimbra, Cândido C; Romanovsky, Andrej A

    2017-07-19

    In the past, we showed that large electrolytic lesions of the dorsomedial hypothalamus (DMH) promoted hypothermia in cold-exposed restrained rats, but attenuated hypothermia in rats challenged with a high dose of bacterial lipopolysaccharide (LPS) in a thermogradient apparatus. The goal of this study was to identify the thermoeffector mechanisms and DMH representation of the two phenomena and thus to understand how the same lesion could produce two opposite effects on body temperature. We found that the permissive effect of large electrolytic DMH lesions on cold-induced hypothermia was due to suppressed thermogenesis. DMH-lesioned rats also could not develop fever autonomically: they did not increase thermogenesis in response to a low, pyrogenic dose of LPS (10 μg/kg, i.v.). In contrast, changes in thermogenesis were uninvolved in the attenuation of the hypothermic response to a high, shock-inducing dose of LPS (5000 μg/kg, i.v.); this attenuation was due to a blockade of cold-seeking behavior. To compile DMH maps for the autonomic cold defense and for the cold-seeking response to LPS, we studied rats with small thermal lesions in different parts of the DMH. Cold thermogenesis had the highest representation in the dorsal hypothalamic area. Cold seeking was represented by a site at the ventral border of the dorsomedial nucleus. Because LPS causes both fever and hypothermia, we originally thought that the DMH contained a single thermoregulatory site that worked as a fever-hypothermia switch. Instead, we have found two separate sites: one that drives thermogenesis and the other, previously unknown, that drives inflammation-associated cold seeking. SIGNIFICANCE STATEMENT Cold-seeking behavior is a life-saving response that occurs in severe systemic inflammation. We studied this behavior in rats with lesions in the dorsomedial hypothalamus (DMH) challenged with a shock-inducing dose of bacterial endotoxin. We built functional maps of the DMH and found the strongest

  1. Substitution urethroplasty for anterior urethral strictures: buccal versus lingual mucosal graft.

    Science.gov (United States)

    Kumar, Abhay; Das, Suren K; Trivedi, Sameer; Dwivedi, Udai S; Singh, Pratap B

    2010-01-01

    To compare the results of substitution urethroplasty and donor site morbidity between buccal mucosal graft (BMG) and lingual mucosal graft (LMG). Patients who underwent single-stage dorsal onlay free oral mucosal graft substitution urethroplasty by Barbagli's technique between January 2004 and August 2008 were included in this study. Patients who underwent buccal (cheek, lip) mucosal graft urethroplasty were included in group I and those who underwent LMG urethroplasty (tongue) were included in group II. All patients underwent complete evaluation of the stricture including inspection of the oral cavity. Exclusion criteria were stricture length speech complications was seen in group II, but not in group I. The long-term complications of persistent oral discomfort, perioral numbness and tightness of the mouth were seen only in group I. LMG urethroplasty is a good substitute for BMG urethroplasty with equally good results of urethroplasty with lower donor site morbidity. Copyright 2010 S. Karger AG, Basel.

  2. Exothermic or Endothermic Decomposition of Disubstituted Tetrazoles Tuned by Substitution Fashion and Substituents.

    Science.gov (United States)

    Jia, Yu-Hui; Yang, Kai-Xiang; Chen, Shi-Lu; Huang, Mu-Hua

    2018-01-11

    Nitrogen-rich compounds such as tetrazoles are widely used as candidates in gas-generating agents. However, the details of the differentiation of the two isomers of disubstituted tetrazoles are rarely studied, which is very important information for designing advanced materials based on tetrazoles. In this article, pairs of 2,5- and 1,5-disubstituted tetrazoles were carefully designed and prepared for study on their thermal decomposition behavior. Also, the substitution fashion of 2,5- and 1,5- and the substituents at C-5 position were found to affect the endothermic or exothermic properties. This is for the first time to the best of our knowledge that the thermal decomposition properties of different tetrazoles could be tuned by substitution ways and substitute groups, which could be used as a useful platform to design advanced materials for temperature-dependent rockets. The aza-Claisen rearrangement was proposed to understand the endothermic decomposition behavior.

  3. Substitution within the Danish printing industry

    DEFF Research Database (Denmark)

    Larsen, Henrik Fred; Bøg, Carsten

    2009-01-01

    are running a substitution project. A major part of the work has been mapping the presence of chemicals which are potential candidates for substitution (e.g. PBT, CMR, vPvB, EDS) within the Danish printing industry and this work was recently finished. The mapping comprises a combination of a literature study......The implementation of the EU REACH regulation will most probably promote substitution within sectors handling a lot of different chemicals like the printing industry. With the aim of being at the cutting edge of this development the Danish EPA together with the Danish printing industry and IPU...... total 15 substances) were found in the Danish printing industry. This paper presents the results of the mapping of chemical candidates and the first results on preparing for actual substitutions....

  4. Substituted hydroxyapatites for biomedical applications: A review

    Czech Academy of Sciences Publication Activity Database

    Šupová, Monika

    2015-01-01

    Roč. 41, č. 8 (2015), s. 9203-9231 ISSN 0272-8842 Institutional support: RVO:67985891 Keywords : bioapatite * calcium phosphate * hydroxyapatite * substitution Subject RIV: JJ - Other Materials Impact factor: 2.758, year: 2015

  5. Dodecatungstocobaltate and Sn (IV)-Substituted Polyoxometalate ...

    African Journals Online (AJOL)

    NICO

    work metals, or substituting different cations for the protons to make their acidic or neutral ... corrosive materials in comparison with traditional Lewis acids. The importance of .... salt by treatment with potassium chloride. Finally, the cobalt (II).

  6. Questioning nuclear waste substitution: a case study.

    Science.gov (United States)

    Marshall, Alan

    2007-03-01

    This article looks at the ethical quandaries, and their social and political context, which emerge as a result of international nuclear waste substitution. In particular it addresses the dilemmas inherent within the proposed return of nuclear waste owned by Japanese nuclear companies and currently stored in the United Kingdom. The UK company responsible for this waste, British Nuclear Fuels Limited (BNFL), wish to substitute this high volume intermediate-level Japanese-owned radioactive waste for a much lower volume of much more highly radioactive waste. Special focus is given to ethical problems that they, and the UK government, have not wished to address as they move forward with waste substitution. The conclusion is that waste substitution can only be considered an ethical practice if a set of moderating conditions are observed by all parties. These conditions are listed and, as of yet, they are not being observed.

  7. DOES CURRENCY SUBSTITUTION AFFECT EXCHANGE RATE VOLATILITY?

    Directory of Open Access Journals (Sweden)

    Hisao Kumamoto

    2014-10-01

    Full Text Available This study investigates the impacts of the degree of currency substitution on nominal exchange rate volatility in seven countries (Indonesia, the Philippines, the Czech Republic, Hungary, Poland, Argentina, and Peru. We use the Threshold ARCH model to consider the ratchet effect of currency substitution and sample periods in the 2000s, during which time the economies of the sample countries stabilized, while the U.S. dollar and euro depreciated against other major currencies following the recent global financial crisis. The presented empirical analyses show that the degree of currency substitution has significant positive effects on the conditional variance of the depreciation rate of the nominal exchange rate in most sample countries. Moreover, a shock to the depreciation rate of the nominal exchange rate has asymmetric effects on the conditional variance, depending on the sign. One possible explanation for these differential effects is the existence of the ratchet effect of currency substitution.

  8. Development of a diesel substitute fuel

    Energy Technology Data Exchange (ETDEWEB)

    Reiter, Anton; Mair-Zelenka, Philipp [Graz Univ. of Technology (Austria). Inst. of Chemical Engineering and Environmental Technology; Zeymer, Marc [OMV Refining and Marketing GmbH, Vienna (Austria). MRDI-D Product Development and Innovation

    2013-06-01

    Substitute fuels composed of few real chemical compounds are an alternative characterisation approach for conventional fuels as opposed to the traditional pseudo-component method. With the algorithm proposed in this paper the generation of such substitutes will be facilitated and well-established thermodynamic methods can be applied for physical property-data prediction. Based on some quality criteria like true boiling-point curve, liquid density, C/H ratio, or cloud point of a target fuel a surrogate which meets these properties is determined by fitting its composition. The application and capabilities of the algorithm developed are demonstrated by means of an exemplary diesel substitute fuel. The substitute mixture obtained can be generated and used for evaluation of property-prediction methods. Furthermore this approach can help to understand the effects of mixing fossil fuels with biogenic compounds. (orig.)

  9. Lattice site location and annealing behaviour of Ca and Sr implanted GaN

    CERN Document Server

    De Vries, Bart; Wahl, Ulrich; Correia, J G; Araújo, João Pedro; Lojkowski, W; Kolesnikov, D

    2006-01-01

    We report on the lattice location of ion-implanted Ca and Sr in thin films of single-crystalline wurtzite GaN. Using the emission channeling technique the angular distributions of $\\beta\\!^{-}$−particles emitted by the radioactive isotopes $^{45}$Ca(t$_{ 1/2}$=163.8 d) and $^{89}$Sr(t$_{ 1/2}$=50.53 d) were monitored with a position-sensitive detector following 60 keV room-temperature implantation. Our experiments give direct evidence that $\\sim$90% of Ca and > 60% of Sr atoms were occupying substitutional Ga sites with root mean square displacements of the order of 0.15–0.30 Å, i.e., larger than the expected thermal vibration amplitude of 0.074 Å. Annealing the Ca implanted samples at 1100–1350 °C in high-pressure N$_{2}$ atmosphere resulted in a better incorporation into the substitutional Ga site. The Sr implanted sample showed a small decrease in rms displacements for vacuum annealing up to 900 °C, while the substitutional fraction remained nearly constant. The annealing behavior of the rms disp...

  10. Mutations of different molecular origins exhibit contrasting patterns of regional substitution rate variation.

    Directory of Open Access Journals (Sweden)

    Navin Elango

    2008-02-01

    Full Text Available Transitions at CpG dinucleotides, referred to as "CpG substitutions", are a major mutational input into vertebrate genomes and a leading cause of human genetic disease. The prevalence of CpG substitutions is due to their mutational origin, which is dependent on DNA methylation. In comparison, other single nucleotide substitutions (for example those occurring at GpC dinucleotides mainly arise from errors during DNA replication. Here we analyzed high quality BAC-based data from human, chimpanzee, and baboon to investigate regional variation of CpG substitution rates. We show that CpG substitutions occur approximately 15 times more frequently than other single nucleotide substitutions in primate genomes, and that they exhibit substantial regional variation. Patterns of CpG rate variation are consistent with differences in methylation level and susceptibility to subsequent deamination. In particular, we propose a "distance-decaying" hypothesis, positing that due to the molecular mechanism of a CpG substitution, rates are correlated with the stability of double-stranded DNA surrounding each CpG dinucleotide, and the effect of local DNA stability may decrease with distance from the CpG dinucleotide.Consistent with our "distance-decaying" hypothesis, rates of CpG substitution are strongly (negatively correlated with regional G+C content. The influence of G+C content decays as the distance from the target CpG site increases. We estimate that the influence of local G+C content extends up to 1,500 approximately 2,000 bps centered on each CpG site. We also show that the distance-decaying relationship persisted when we controlled for the effect of long-range homogeneity of nucleotide composition. GpC sites, in contrast, do not exhibit such "distance-decaying" relationship. Our results highlight an example of the distinctive properties of methylation-dependent substitutions versus substitutions mostly arising from errors during DNA replication. Furthermore

  11. Hyperfine magnetic fields in substituted Finemet alloys

    Energy Technology Data Exchange (ETDEWEB)

    Brzózka, K., E-mail: k.brzozka@uthrad.pl [University of Technology and Humanities in Radom, Department of Physics (Poland); Sovák, P. [P.J. Šafárik University, Institute of Physics (Slovakia); Szumiata, T.; Gawroński, M.; Górka, B. [University of Technology and Humanities in Radom, Department of Physics (Poland)

    2016-12-15

    Transmission Mössbauer spectroscopy was used to determine the hyperfine fields of Finemet-type alloys in form of ribbons, substituted alternatively by Mn, Ni, Co, Al, Zn, V or Ge of various concentration. The comparative analysis of magnetic hyperfine fields was carried out which enabled to understand the role of added elements in as-quenched as well as annealed samples. Moreover, the influence of the substitution on the mean direction of the local hyperfine magnetic field was examined.

  12. Trace maps of general substitutional sequences

    International Nuclear Information System (INIS)

    Kolar, M.; Nori, F.

    1990-01-01

    It is shown that for arbitrary n, there exists a trace map for any n-letter substitutional sequence. Trace maps are explicitly obtained for the well-known circle and Rudin-Shapiro sequences which can be defined by means of substitution rules on three and four letters, respectively. The properties of the two trace maps and their consequences for various spectral properties are briefly discussed

  13. Product portfolio optimization based on substitution

    DEFF Research Database (Denmark)

    Myrodia, Anna; Moseley, A.; Hvam, Lars

    2017-01-01

    The development of production capabilities has led to proliferation of the product variety offered to the customer. Yet this fact does not directly imply increase of manufacturers' profitability, nor customers' satisfaction. Consequently, recent research focuses on portfolio optimization through...... substitution and standardization techniques. However when re-defining the strategic market decisions are characterized by uncertainty due to several parameters. In this study, by using a GAMS optimization model we present a method for supporting strategic decisions on substitution, by quantifying the impact...

  14. Substituting missing data in compositional analysis

    Energy Technology Data Exchange (ETDEWEB)

    Real, Carlos, E-mail: carlos.real@usc.es [Area de Ecologia, Departamento de Biologia Celular y Ecologia, Escuela Politecnica Superior, Universidad de Santiago de Compostela, 27002 Lugo (Spain); Angel Fernandez, J.; Aboal, Jesus R.; Carballeira, Alejo [Area de Ecologia, Departamento de Biologia Celular y Ecologia, Facultad de Biologia, Universidad de Santiago de Compostela, 15782 Santiago de Compostela (Spain)

    2011-10-15

    Multivariate analysis of environmental data sets requires the absence of missing values or their substitution by small values. However, if the data is transformed logarithmically prior to the analysis, this solution cannot be applied because the logarithm of a small value might become an outlier. Several methods for substituting the missing values can be found in the literature although none of them guarantees that no distortion of the structure of the data set is produced. We propose a method for the assessment of these distortions which can be used for deciding whether to retain or not the samples or variables containing missing values and for the investigation of the performance of different substitution techniques. The method analyzes the structure of the distances among samples using Mantel tests. We present an application of the method to PCDD/F data measured in samples of terrestrial moss as part of a biomonitoring study. - Highlights: > Missing values in multivariate data sets must be substituted prior to analysis. > The substituted values can modify the structure of the data set. > We developed a method to estimate the magnitude of the alterations. > The method is simple and based on the Mantel test. > The method allowed the identification of problematic variables in a sample data set. - A method is presented for the assessment of the possible distortions in multivariate analysis caused by the substitution of missing values.

  15. Substituting missing data in compositional analysis

    International Nuclear Information System (INIS)

    Real, Carlos; Angel Fernandez, J.; Aboal, Jesus R.; Carballeira, Alejo

    2011-01-01

    Multivariate analysis of environmental data sets requires the absence of missing values or their substitution by small values. However, if the data is transformed logarithmically prior to the analysis, this solution cannot be applied because the logarithm of a small value might become an outlier. Several methods for substituting the missing values can be found in the literature although none of them guarantees that no distortion of the structure of the data set is produced. We propose a method for the assessment of these distortions which can be used for deciding whether to retain or not the samples or variables containing missing values and for the investigation of the performance of different substitution techniques. The method analyzes the structure of the distances among samples using Mantel tests. We present an application of the method to PCDD/F data measured in samples of terrestrial moss as part of a biomonitoring study. - Highlights: → Missing values in multivariate data sets must be substituted prior to analysis. → The substituted values can modify the structure of the data set. → We developed a method to estimate the magnitude of the alterations. → The method is simple and based on the Mantel test. → The method allowed the identification of problematic variables in a sample data set. - A method is presented for the assessment of the possible distortions in multivariate analysis caused by the substitution of missing values.

  16. Fission product iodine during early Hanford-Site operations: Its production and behavior during fuel processing, off-gas treatment and release to the atmosphere

    International Nuclear Information System (INIS)

    Burger, L.L.

    1991-05-01

    The Hanford Environmental Dose Reconstruction (HEDR) Project was established to estimate the radiological dose impact that Hanford Site operations may have made on the local and regional population. This impact is estimated by examining operations involving radioactive materials that were conducted at the Hanford Site from the startup of the first reactor in 1944 to the present. HEDR Project work is divided among several technical tasks. One of these tasks, Source Terms, is designed to develop quantitative estimates of all significant emissions of radionuclides by Hanford Site operations since 1944. Radiation doses can be estimated from these emissions by accounting for specific radionuclide transport conditions and population demography. This document provides technical information to assist in the evaluation of iodine releases. 115 refs., 5 figs., 3 tabs

  17. Fission product iodine during early Hanford-Site operations: Its production and behavior during fuel processing, off-gas treatment and release to the atmosphere

    Energy Technology Data Exchange (ETDEWEB)

    Burger, L.L.

    1991-05-01

    The Hanford Environmental Dose Reconstruction (HEDR) Project was established to estimate the radiological dose impact that Hanford Site operations may have made on the local and regional population. This impact is estimated by examining operations involving radioactive materials that were conducted at the Hanford Site from the startup of the first reactor in 1944 to the present. HEDR Project work is divided among several technical tasks. One of these tasks, Source Terms, is designed to develop quantitative estimates of all significant emissions of radionuclides by Hanford Site operations since 1944. Radiation doses can be estimated from these emissions by accounting for specific radionuclide transport conditions and population demography. This document provides technical information to assist in the evaluation of iodine releases. 115 refs., 5 figs., 3 tabs.

  18. Self-consistent approximation for muffin-tin models of random substitutional alloys with environmental disorder

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1984-01-01

    The self-consistent approximation of Kaplan, Leath, Gray, and Diehl is applied to models for substitutional random alloys with muffin-tin potentials. The particular advantage of this approximation is that, in addition to including cluster scattering, the muffin-tin potentials in the alloy can depend on the occupation of the surrounding sites (i.e., environmental disorder is included)

  19. Influences of IT substitutes and user experience on post-adoption user switching : An empirical investigation

    NARCIS (Netherlands)

    Ye, C.; Seo, D.; Desouza, K.C.; Papagari, S.; Jha, S.

    2008-01-01

    This study examines factors that influence individual users' post-adoption switching behavior between information technology products that are near perfect substitutes. The introduction and popularity of Mozilla Firefox Web browser provided an ideal empirical setting for this study. Drawing upon

  20. Influences of IT substitutes and user experience on post-adoption user switching : An empirical investigation

    NARCIS (Netherlands)

    Ye, C.; Seo, D.; Desouza, K.C.; Papagari, S.; Jha, S.

    This study examines factors that influence individual users' post-adoption switching behavior between information technology products that are near perfect substitutes. The introduction and popularity of Mozilla Firefox Web browser provided an ideal empirical setting for this study. Drawing upon

  1. [Guidelines for substitution treatments in prison populations].

    Science.gov (United States)

    Michel, L; Maguet, O

    2005-01-01

    Care access for the drug addict patients in prison (in particular for the treatments of substitution) in France is very unequal from one establishment to another. This reflects the great variability of the practices of substitution and especially the absence of consensus on the methods of adaptation of these practices to the prison environment. Because of difficulties expressed by prisoners and medical staff on this subject and of stakes (let us recall that approximately 30% of the prisoners are dependent or abusers of one or more psychoactive substances), the formulation of recommendations or of a good practices guide of substitution in prison appeared necessary. Work that we detail here answers a ordering of the Advisory Commission of the Treatments of Substitution (September 2001) whose authors are members. It was presented at the session April 2003. It results from the confrontation of a review of the literature (including legal texts and official reports concerning substitution, the organization of the care in prison environment and the lawful framework), with a vast investigation. The latter was carried out near medical staff (22 prisons), penitentiary staff (3 prisons, 27 people met including directors of these establishments) and prisoners (7 establishments, 28 prisoners met) in the form of individual talks (semi-directing interviews with evaluation of the type of existing device and its knowledge by the penitentiary staff and the prisoners; statement of the suggestions, needs and requests of the medical, penitentiary staffs and of the prisoners). In the whole visited prisons, 7.8% (870) of the prisoners received substitution treatments (6.35% by buprenorphine, 1.44% by methadone), representing a proportion of substituted drug addicts (870 substituted for an evaluation of 3,350 prisoners drug addicts among the 11,168 prisoners of the 22 visited prisons) notably lower than that in free environment (56%, ie 96,000 substituted for an evaluated population of

  2. Temperature and composition dependence of magnetic properties of cobalt-chromium co-substituted magnesium ferrite nanomaterials

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed, E-mail: mjiqauchem@yahoo.com [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Ahmad, Zahoor [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Meydan, Turgut; Melikhov, Yevgen [Wolfson Center for Magnetics, School of Engineering, Cardiff University, Cardiff CF24 3AA (United Kingdom)

    2012-11-15

    The temperature and composition dependence of magnetic properties of Co-Cr co-substituted magnesium ferrite, Mg{sub 1-x}Co{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x=0.0-0.5), prepared by novel polyethylene glycol assisted microemulsion method, are studied. The synthesized materials are characterized by the Moessbauer spectrometer and standard magnetic measurements. Major hysteresis loops are measured up to the magnetic field of 50 kOe at 300, 200 and 100 K. The high field regimes of these loops are modeled using the Law of Approach to saturation to determine the first-order cubic anisotropy coefficient and saturation magnetization. Both the saturation magnetization and the anisotropy coefficient are observed to increase with the decrease in temperature for all Co-Cr co-substitution levels. Also, both the saturation magnetization and the anisotropy coefficient achieved maximum value at x=0.3 and x=0.2, respectively. Explanation of the observed behavior is proposed in terms of the site occupancy of the co-substituent, Co{sup 2+} and Cr{sup 3+} in the cubic spinel lattice. - Highlights: Black-Right-Pointing-Pointer Mg{sub 1-x}Co{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} are synthesized by novel PEG assisted microemulsion method. Black-Right-Pointing-Pointer Co-Cr occupied octahedral site confirmed by the Moessbauer analysis. Black-Right-Pointing-Pointer High field regime of M-H loops are modeled using the Law of Approach to saturation. Black-Right-Pointing-Pointer The values of M{sub S}, M{sub r}, H{sub C} and K{sub 1} are found to increase with decreasing temperature.

  3. A “walker” tool to place Diaphorina citri (Hemiptera: Liviidae) adults at predetermined sites for bioassays of behavior in citrus (Sapindales: Rutacease) trees

    Science.gov (United States)

    A walker tool was developed to assist placement of D. citri on citrus host trees in behavioral bioassays. The walker performs better than a commonly used paintbrush tool in the proportion of successful placements and in the reduction of jumps away from the citrus leaf, although it takes about two mi...

  4. Influence of fluorine substitution on the morphology and structure of hydroxyapatite nanocrystals prepared by hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Joseph Nathanael, A., E-mail: ajosephnc@yahoo.com [Department of Nanomaterials Engineering, Chungnam National University, Daejeon 305-764 (Korea, Republic of); Thin Film and Nanomaterials Laboratory, Department of Physics, Bharathiar University, Coimbatore 641 046 (India); Mangalaraj, D., E-mail: dmraj800@yahoo.com [Department of Nanoscience and Technology, Bharathiar University, Coimbatore 641 046 (India); Hong, S.I., E-mail: sihong@cnu.ac.kr [Thin Film and Nanomaterials Laboratory, Department of Physics, Bharathiar University, Coimbatore 641 046 (India); Masuda, Y. [National Institute of Advanced Industrial Science and Technology (AIST), 2266-98 Anagahora, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan); Rhee, Y.H.; Kim, H.W. [Department of Microbiology, Chungnam National University, Daejeon 305-764 (Korea, Republic of)

    2013-01-15

    Hydroxyapatite (HAp) nanocrystals with different levels of fluorine substitution (P/F = 0, 6, 4 and 2) on the OH sites were produced via hydrothermal method. The fluorine substitution was found to alter the morphology of crystals appreciably. The aspect ratio and the crystallinity of HAp crystals increased with increasing fluorine substitution. The presence of broad ring and hallow ring patterns in electron diffraction suggests the low-crystalline nature of HAp crystals. With increasing fluorine substitution, the diffraction patterns exhibited discrete rings and numerous diffraction spots, implying the increased crystallinity. Raman spectra from the HAp nanoparticles also support the less-crystalline nature of the pristine HAp and the enhanced crystallization by fluorine substitution. In HAp crystals processed with no fluorine substitution, surface energy and planar Ca{sup 2+} density are less sensitive to the crystallographic orientation because of its low-crystalline nature, favoring equi-axed or slightly elongated particles. The addition of fluorine apparently increased the crystallinity, enhancing the orientation dependent growth and accordingly the aspect ratio. Osteoblast proliferation was observed to be enhanced by fluorine substitution in HAp. In vitro biological data support that the excellent osteoblastic cell viability and functional activity of the fluoridated apatite. -- Highlights: Black-Right-Pointing-Pointer Fluorapatite nanorods were produced hydrothermally with different fluorine content. Black-Right-Pointing-Pointer Fluorine substitution was found to alter the morphology of crystals appreciably. Black-Right-Pointing-Pointer It enhances the crystallinity, orientation dependent growth and hence aspect ratio. Black-Right-Pointing-Pointer In vitro cellular analysis shows excellent cell viability of the fluorapatite.

  5. Effect of rare earth substitution on properties of barium strontium titanate ceramic and its multiferroic composite with nickel cobalt ferrite

    International Nuclear Information System (INIS)

    Pahuja, Poonam; Kotnala, R.K.; Tandon, R.P.

    2014-01-01

    Highlights: • Rare earth ions Dy 3+ , Gd 3+ and Sm 3+ have been substituted in Ba 0.95 Sr 0.05 TiO 3 (BST). • Ni 0.8 Co 0.2 Fe 2 O 4 has been used as ferrimagnetic phase to obtain composites. • Substitution of these ions increases dielectric constant of BST and composites. • Magnetoelectric coefficient of composites increases on substitution of these ions. - Abstract: Effect of substitution of rare earth ions (Dy 3+ , Gd 3+ and Sm 3+ ) on various properties of Ba 0.95 Sr 0.05 TiO 3 (BST) i.e. the composition Ba 0.95−1.5x Sr 0.05 R x TiO 3 (where x = 0.00, 0.01, 0.02, 0.03 and R are rare earths Dy, Gd, Sm) and that of their multiferroic composite with Ni 0.8 Co 0.2 Fe 2 O 4 (NCF) has been studied. Shifting of peaks corresponding to different compositions in the X-ray diffraction pattern confirmed the substitution of rare earth ions at both Ba 2+ and Ti 4+ sites in BST. It is clear from scanning electron microscopy (SEM) images that rare earth substitution in BST increases its grain size in both pure and composite samples. Substitution of rare earth ions results in increase in value of dielectric constant of pure and composite samples. Sm substitution in BST significantly decreases its Curie temperature. Dy substituted pure and composite samples possess superior ferroelectric properties as confirmed by polarization vs electric field (P–E) loops. Composite samples containing Dy, Gd and Sm substituted BST as ferroelectric phase possess lower values of remanent and saturation magnetizations in comparison to composite sample containing pure BST as ferroelectric phase (BSTC). Rare earth substituted composite samples possess higher value of magnetoelectric coefficient as compared to that for BSTC

  6. Synergetic Fe substitution and carbon connection in LiMn1−xFexPO4/C cathode materials for enhanced electrochemical performances

    International Nuclear Information System (INIS)

    Yan, Su-Yuan; Wang, Cheng-Yang; Gu, Rong-Min; Sun, Shuai; Li, Ming-Wei

    2015-01-01

    Highlights: • LiMn 0.6 Fe 0.4 PO 4 /C cathode material shows enhanced rate capability. • The Fe doped in the partial Mn sites could significantly facilitate the Li ions transfer. • The enhanced Li + ions diffusion contributes to the optimized rate capability of LiMn 0.6 Fe 0.4 PO 4 . • ACM carbonization forms well carbon coating and a 3D carbon network structure. - Abstract: To enhance the rate and cyclic performances of LiMnPO 4 cathode material for lithium-ion batteries, Mn is partially substituted with Fe, and LiMn 1−x Fe x PO 4 (x = 0.2, 0.3, 0.4, 0.5) solid solutions are synthesized and investigated. Amphiphilic carbonaceous material (ACM) forms well carbon coating and connects the LiMn 1−x Fe x PO 4 crystallites by a three-dimensional (3D) carbon network. The synergetic Fe substitution and carbon connection obviously improve the samples’ rate capacities and cyclic stability. The optimized LiMn 0.6 Fe 0.4 PO 4 /C sample delivers discharge capacities of 160 mA h g −1 at 0.05 C, 148 mA h g −1 at 1 C, and 115 mA h g −1 at 20 C. All samples have well capacity retention (>92%) after 50 charge/discharge cycles at 1 C. The enhanced electrochemical properties are mainly attributed to the improvement of Li ion and electron transport in the LiMn 1−x Fe x PO 4 /C samples, respectively mainly resulting from their modified crystal structures caused by Fe substitution and the 3D carbon coating/connection originating from ACM carbonization. LiMn 1−x Fe x PO 4 materials exhibit two discharge plateaus at ∼4.0 and ∼3.5 V (vs. Li + /Li), whose heights respectively reflect the redox potentials of Mn 3+ /Mn 2+ and Fe 3+ /Fe 2+ couples. The plateaus’ lengths correspond to the Mn/Fe ratio in LiMn 1−x Fe x PO 4 and are affected by the kinetic behavior of samples. Though the ∼4.0 V plateau shrinks with increasing discharge rate, the ∼3.5 V plateau may slightly elongate. Moreover, the Fe substituted in the partial Mn sites could significantly improve

  7. Effect of Cu-Cr co-substitution on magnetic properties of nanocrystalline magnesium ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Iqbal, Muhammad Javed, E-mail: mjiqauchem@yahoo.com [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-I-Azam University, Islamabad 45320 (Pakistan); Ahmad, Zahoor [Surface and Solid State Chemistry Laboratory, Department of Chemistry, Quaid-I-Azam University, Islamabad 45320 (Pakistan); Melikhov, Yevgen [Wolfson Centre for Magnetics, School of Engineering, Cardiff University, Cardiff CF24 3AA (United Kingdom); Nlebedim, Ikenna Cajetan [Ames Laboratory of US Department of Energy, Ames, IA 50011 (United States)

    2012-03-15

    This study deals with the temperature and composition dependence of magnetization and magnetic anisotropy of Cu{sup 2+}-Cr{sup 3+} co-substituted magnesium ferrite, Mg{sub 1-x}Cu{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} (x=0.0-0.5). The synthesized materials are characterized using thermo gravimetric analysis, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray fluorescence, Moessbauer spectrometer, superconducting quantum interference device magnetometer and vibrating sample magnetometer. The M-H loops measured up to 50 kOe at 300, 200 and 100 K, revealed narrow hysteresis curves with a coercive field and saturation magnetization varying for different compositions. The high field regimes of these loops are modeled using the Law of Approach to saturation to extract anisotropy information and saturation magnetization. Both the saturation magnetization and the anisotropy constant are observed to increase with the decrease in temperature while decrease with the Cu-Cr co-substituents for all the samples. Explanation of the observed behavior is proposed in terms of the preference of the co-substituent ions of Cu{sup 2+} and Cr{sup 3+} and their predominant choice to substitute into the octahedral sites of the cubic spinel lattice. - Highlights: Black-Right-Pointing-Pointer Mg{sub 1-x}Cu{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4} was synthesized by novel PEG assisted microemulsion method. Black-Right-Pointing-Pointer Present paper dealt with magnetic properties of Mg{sub 1-x}Cu{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4}. Black-Right-Pointing-Pointer XRD patterns revealed tetragonal distorted cubic structure of Mg{sub 1-x}Cu{sub x}Cr{sub x}Fe{sub 2-x}O{sub 4}. Black-Right-Pointing-Pointer Mossbauer spectroscopy confirmed that Cu-Cr occupy octahedral sites. Black-Right-Pointing-Pointer High field regime of M-H loops was modeled using Law of Approach to saturation.

  8. The year-wise nodulation behavior and biological nitrogen fixation parameters of chickpea (cicer aritinum, L) at some selected sites in the southern zone of Pakistan during 1995-98

    International Nuclear Information System (INIS)

    Idris, M.

    2000-01-01

    Study was carried out during 1995-98 to know the location and year-wise nodulation response (number and weight of nodules/plant) and the related biological nitrogen fixation parameters (dry matter yield, n concentration and yield/plant) of the crop at some selected sites ( Peshawar, Kohat, Krak, Bannu and D. I. Khan ) under the agro climatic conditions prevailing in the southern zones of NWFP-Pakistan. The crop was found to be profusely nodulating under the agro climatic conditions prevailing at all sites except at Barani-Agricultural Research station (bars) Kohat, where the nodulation of the crop almost remained inclined to be nil. The nodulation behavior and biological nitrogen fixation parameters of chickpea during 1995-98 in the southern zone of NWFP- Pakistan has been described. (author)

  9. Investigation of novel bioactive rapidly resorbable bone substitute materials and their influence on osteoblastic cell differentiation in vivo

    OpenAIRE

    Jonscher, Sebastian

    2010-01-01

    Among the various techniques to reconstruct or enlarge a deficient alveolar ridge, the concept of guided bone regeneration (GBR) has become a predictable and well-documented surgical approach. At present, autogenous bone grafts are preferably combined with barrier membranes. Using synthetic biodegradable bone substitute materials, however, is advantageous, since it avoids second-site surgery for autograft harvesting. A bone substitute for alveolar ridge augmentation must be rapidly resorbable...

  10. 40 CFR Appendix B to Subpart G of... - Substitutes Subject to Use Restrictions and Unacceptable Substitutes

    Science.gov (United States)

    2010-07-01

    ... demonstrate it can be used safely in this end-use. CFC-12 Motor Vehicle Air Conditioners (Retrofit and New... Conditions Application Substitute Decision Conditions Comments CFC-12 Automobile Motor Vehicle Air... refrigerant. CFC-12 Automobile Motor Vehicle Air Conditioning (New equipment only) R-152a as a substitute for...

  11. Structural and magnetic properties correlated with cation distribution of Mo-substituted cobalt ferrite nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Heiba, Z.K. [Faculty of Science, Taif University, P.O. Box: 888, Al-Haweiah, Taif (Saudi Arabia); Physics Department, Faculty of Science, Ain Shams University, Cairo (Egypt); Mostafa, Nasser Y., E-mail: nmost69@yahoo.com [Faculty of Science, Taif University, P.O. Box: 888, Al-Haweiah, Taif (Saudi Arabia); Chemistry Department, Faculty of Science, Suez Canal University, Ismailia 41522 (Egypt); Abd-Elkader, Omar H. [Department of Zoology, Science College, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Electron Microscope and Thin Films Department, National Research Center (NRC), El-Behooth Street, Dokki, Cairo 12622 (Egypt)

    2014-11-15

    Mo-substituted cobalt ferrite nanoparticles; CoFe{sub 2−2x}Mo{sub x}O{sub 4} (0.0≤x≤0.3) were prepared by a one-step solution combustion synthesis technique. The reactants were metal nitrates and glycine as a fuel. The samples were characterized using an X-ray diffraction (XRD), a transmission electron microscope (TEM) and a vibrating sample magnetometer (VSM). XRD analysis revealed a pure single phase of cubic spinel ferrites for all samples with x up to 0.3. The lattice parameter decreases with Mo{sup 6+} substitution linearly up to x=0.15, then nonlinearly for x≥0.2. Rietveld analysis and saturation magnetization (M{sub s}) revealed that Mo{sup 6+} replaced Fe{sup 3+} in the tetrahedral A-sites up to x=0.15, then it replaced Fe{sup 3+} in both A-sites and B-sites for x≥0.2. The saturation magnetization (M{sub s}) increases with increasing Mo{sup 6+} substitution up to x=0.15 then decreases. The crystallite size decreased while the microstrain increased with increasing Mo{sup 6+} substitution. Inserting Mo{sup 6+} produces large residents of defects and cation vacancies. - Highlights: • Nano-sized Mo-substituted cobalt ferrite CoFe{sub 2−2x}Mo{sub x}O{sub 4} (0.0≤x≤0.3) were prepared by solution combustion. • The change in M{sub s} with increasing Mo-substitution was investigated. • The cations distributions of ferrites were obtained from Rietveld analysis. • Inserting Mo{sup 6+} produces large residents of defects and cation vacancies.

  12. Intimate partner violence victims' acceptance and refusal of on-site counseling in emergency departments: Predictors of help-seeking behavior explored through a 5-year medical chart review.

    Science.gov (United States)

    Choi, Anna Wai-Man; Wong, Janet Yuen-Ha; Lo, Ruby Tsz-Fung; Chan, Pik-Ying; Wong, John Kit-Shing; Lau, Chu-Leung; Kam, Chak-Wah

    2018-03-01

    Healthcare services constitute the first formal support that many intimate partner violence (IPV) victims receive and a link to formal welfare and psychological support. The help-seeking behavior for psychosocial support, e.g., Accident and Emergency Departments (AED) onsite counseling, is key to developing effective support for IPV victims. This study aimed to strengthen the health-welfare support link to aid IPV prevention in AEDs by investigating the acceptance and refusal of on-site counseling by IPV victims. A retrospective cohort study retrieved and reviewed all records of IPV victims presenting at the AEDs of two Hong Kong hospitals between 2010 and 2014. A total of 157 male and 823 female IPV victims were identified, 295 of whom refused on-site counseling. Bivariate and multivariate analyses were performed to examine the association between help-seeking and demographic and violent injury-related factors. The odds of help-seeking via on-site counseling were significantly lower for victims with mental illness (aOR=0.49; 95% CI=0.27, 0.88). After controlling for all demographic characteristics, mental illness, and drug abuse information, sex remained an independent predictor of help-seeking (aOR=2.62; 95% CI=1.45, 4.74); victims who had experienced >2 abuse incidents were more likely to seek help than those who had experienced ≤2 abuse incidents (aOR=1.90; 95% CI=1.11, 3.26). The factors associated with help-seeking from on-site services by IPV victims reflect the need for multidisciplinary collaborative work aimed at IPV prevention. Healthcare professionals require training on how to promote help-seeking behavior targeted specifically for male and female IPV victims according to their needs and preferences. Copyright © 2018 Elsevier Inc. All rights reserved.

  13. An Exploration of Social Networking Sites (SNS) Adoption in Malaysia Using Technology Acceptance Model (TAM), Theory of Planned Behavior (TPB) And Intrinsic Motivation

    OpenAIRE

    Goh Say Leng; Suddin Lada; Mohd Zulkifli Muhammad; Ag Asri Hj Ag Ibrahim; Tamrin Amboala

    2011-01-01

    The objective of the paper is to explore the factors that encourage students to adopt social network sites (SNS) in Malaysia and to use the study’s findings to develop guidelines for SNS providers on how to maximize the rate of adoption. A conceptual model of Technology Acceptance Model (TAM), Theory of Planned Behaviour (TPB) and intrinsic motivation is proposed and empirically tested in the context of SNS usage. Structural Equation modelling was used on the survey data from 283 university s...

  14. Optimal ordering quantities for substitutable deteriorating items under joint replenishment with cost of substitution

    Science.gov (United States)

    Mishra, Vinod Kumar

    2017-09-01

    In this paper we develop an inventory model, to determine the optimal ordering quantities, for a set of two substitutable deteriorating items. In this inventory model the inventory level of both items depleted due to demands and deterioration and when an item is out of stock, its demands are partially fulfilled by the other item and all unsatisfied demand is lost. Each substituted item incurs a cost of substitution and the demands and deterioration is considered to be deterministic and constant. Items are order jointly in each ordering cycle, to take the advantages of joint replenishment. The problem is formulated and a solution procedure is developed to determine the optimal ordering quantities that minimize the total inventory cost. We provide an extensive numerical and sensitivity analysis to illustrate the effect of different parameter on the model. The key observation on the basis of numerical analysis, there is substantial improvement in the optimal total cost of the inventory model with substitution over without substitution.

  15. Sexual Identity, Sex of Sexual Contacts, and Health-Risk Behaviors among Students in Grades 9-12--Youth Risk Behavior Surveillance, Selected Sites, United States, 2001-2009. Morbidity and Mortality Weekly Report. Early Release. Volume 60

    Science.gov (United States)

    Kann, Laura; O'Malley Olsen, Emily; McManus, Tim; Kinchen, Steve; Chyen, David; Harris, William A.; Wechsler, Howell

    2011-01-01

    Problem: Sexual minority youths are youths who identify themselves as gay or lesbian, bisexual, or unsure of their sexual identity or youths who have only had sexual contact with persons of the same sex or with both sexes. Population-based data on the health-risk behaviors practiced by sexual minority youths are needed at the state and local…

  16. Computational Methods to Predict the Regioselectivity of Electrophilic Aromatic Substitution Reactions of Heteroaromatic Systems

    DEFF Research Database (Denmark)

    Kruszyk, Monika; Jessing, Mikkel; Kristensen, Jesper L

    2016-01-01

    The validity of calculated NMR shifts to predict the outcome of electrophilic aromatic substitution reactions on different heterocyclic compounds has been examined. Based on an analysis of >130 literature examples it was found that the lowest calculated 13C and/or 1H chemical shift of a heterocycle...... correlates qualitatively with the regiochemical outcome of halogenation reactions in >80% of the investigated cases. In the remaining cases, the site of electrophilic aromatic substitution can be explained by the calculated HOMO orbitals obtained using density functional theory. Using a combination...

  17. [Contingency management in opioid substitution treatment].

    Science.gov (United States)

    Specka, M; Böning, A; Scherbaum, N

    2011-07-01

    The majority of opiate-dependent patients in substitution treatment show additional substance-related disorders. Concomitant use of heroin, alcohol, benzodiazepines or cocaine compromises treatment success. Concomitant drug use may be treated by using contingency management (CM) which is based on learning theory. In CM, abstinence from drugs, as verified by drug screenings, is reinforced directly and contingently. Reinforcers used in CM studies with substituted patients were, amongst others, vouchers and take-home privileges. Studies in the USA show a medium average effect of CM on drug consumption rates and abstinence. The effects decrease markedly after the end of the intervention. We discuss whether CM is applicable within the German substitution treatment system and how it can be combined with other interventions such as selective detoxification treatments or cognitive-behavioural programmes. © Georg Thieme Verlag KG Stuttgart · New York.

  18. Biomaterials in search of a meniscus substitute.

    Science.gov (United States)

    Rongen, Jan J; van Tienen, Tony G; van Bochove, Bas; Grijpma, Dirk W; Buma, Pieter

    2014-04-01

    The menisci fulfill key biomechanical functions in the tibiofemoral (knee) joint. Unfortunately meniscal injuries are quite common and most often treated by (partial) meniscectomy. However, some patients experience enduring symptoms, and, more importantly, it leads to an increased risk for symptomatic osteoarthritis. Over the past decades, researchers have put effort in developing a meniscal substitute able to prevent osteoarthritis and treat enduring clinical symptoms. Grossly, two categories of substitutes are observed: First, a resorbable scaffold mimicking biomechanical function which slowly degrades while tissue regeneration and organization is promoted. Second, a non resorbable, permanent implant which mimics the biomechanical function of the native meniscus. Numerous biomaterials with different (material) properties have been used in order to provide such a substitute. Nevertheless, a clinically applicable cartilage protecting material is not yet emerged. In the current review we provide an overview, and discuss, these different materials and extract recommendations regarding material properties for future developmental research. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Substitution between Cars within the Household

    DEFF Research Database (Denmark)

    de Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

    In this paper we study the demand for car kilometres in two-car households, focusing on the substitution between cars in response to fuel price changes. We use a large sample of detailed Danish data on two-car households to estimate—for each car owned by the household—own and cross-price effects...... of increases in fuel costs per kilometre. The empirical results show that failure to capture substitution between cars within the household can result in substantial misspecification biases. Ignoring substitution, we estimate fuel price elasticities of –0.81 and -0.65 for the primary and secondary cars...... efficient car, finding partial support for the underlying hypothesis. More importantly, the results of this extended model emphasize the importance of behavioural differences related to the position of the most fuel efficient car in the household, suggesting that households’ fuel efficiency choices...

  20. Substitute energy resource policy in Japan

    International Nuclear Information System (INIS)

    Umehara, Katsuhiko

    1980-01-01

    Japan depends 88% of energy resources and 99.8% of petroleum on imports. The solution of energy problems is now made internationally. As the means for Japan, there are the substitution of other resources for petroleum and its promotion. However, this involves the considerable funds for the development and utilization, which must be borne by the people in the form of tax. For governmental financing, a special account must be set up for the particular purpose. In the research and development of new energy resources, new institution is required. The following matters are described: petroleum shortage coming even in 1980s, the international need of substitute energy development, the need for establishing measures for substitute energy resources, acquisition of the funds, special-account governmental financing, and an institute of new energy development. (author)

  1. Substituting telecommunications for travel - Feasible or desirable

    Science.gov (United States)

    Van Vleck, E. M.

    1974-01-01

    This paper reviews recent advances in telecommunications and examines the detailed structure of travel to estimate the feasibility of substituting telecommunications for various travel objectives. The impact of travel is analyzed from a social, economic, energy, and pollution standpoint to assess the desirability of substitution. Perhaps 35-50% of the nation's travel could, in theory, be replaced by very advanced telecommunications (such as a much improved large-screen teleconferencing network), but public resistance would be massive. Much economic dislocation would result since, for example, over 25% of retail sales are travel-related. The energy savings would be modest since only 25% of the nation's energy is consumed by transportation. However, all pollution would be reduced substantially since transportation accounts for 75% of the carbon monoxide, 60% of the hydrocarbon, and 55% of the nitrogen oxide pollution in the nation. Problems related to the implementation of large-scale substitution are discussed.

  2. A New Substitution Cipher - Random-X

    Directory of Open Access Journals (Sweden)

    Falguni Patel

    2015-08-01

    Full Text Available Ciphers are the encryption methods to prepare the algorithm for encryption and decryption. The currently known ciphers are not strong enough to protect the data. A new substitution cipher Random-X that we introduce in this paper can be used for password encryption and data encryption. Random-X cipher is a unique substitution cipher which replaces the units of plaintext with triplets of letters. The beauty of this cipher is that the encrypted string of the same plain text is not always same. This makes it strong and difficult to crack. This paper covers the principle the implementation ideas and testing of Random-X cipher.

  3. Hydrophosphorylation of substituted alkynes by phosphonic acids

    International Nuclear Information System (INIS)

    Nifant'ev, E.F.; Solovetskaya, L.A.; Maslennikova, V.I.; Sergeev, N.M.

    1987-01-01

    Hydrophosphorylation of functionally substituted alkynes by phosphonic acids can be a convenient method for synthesis of functionally substituted mono- and diphosphine oxides. The ease of hydrophosphorylation is determined by the strength of the negative inductive effect of the substituents on the triple bond and the steric factor. The structure of the bis-adducts was confirmed by elementary analysis and the 31 P and 13 C NMR spectra. The 31 P NMR spectrum is an AB two-spin system. The values of the chemical shifts and spin-spin interaction constants 3 J/sub PP/ are in agreement with the data in the literature for similar compounds

  4. Substitution between cars within the household

    DEFF Research Database (Denmark)

    De Borger, Bruno; Mulalic, Ismir; Rouwendal, Jan

    The purpose of this paper is to study to what extent two-car households substitute the use of their less fuel efficient car by the use of their more fuel efficient car after an increase in fuel prices. Based on a simple theoretical framework we use a large sample of detailed Danish data on two-car...... households to estimate, for each car owned by the household, own and cross-price effects of increases in fuel costs per kilometer. The empirical results point at important substitution effects, so that models that estimate responses to fuel prices on the implicit or explicit assumption of one car per...

  5. AB initio energetics of lanthanum substitution in ferroelectric bismuth titanate

    International Nuclear Information System (INIS)

    Shah, S.H.

    2012-01-01

    Density functional theory based electronic structure calculations play a vital role in understanding, controlling and optimizing physical properties of materials at microscopic level. In present study system of interest is bismuth titanate (Bi/sub 4/Ti/sub 3/O/sub 12/)/(BIT) which has wide range of applications such as a high temperature piezoelectric and one of the best material for memory devices. However, it also suffers from serious issues such as oxygen vacancies which degrade its performance as a memory element and piezoelectric material. In this context, the bulk and defect properties of orthorhombic bismuth titanate (Bi/sub 4/Ti/sub 3/O/sub 12/) and bismuth lanthanum titanate (Bi/sub 3.25/La/sub 0.75/Ti/sub 3/O/sub 12/)/(BLT, x=0.75) were investigated by using first principles calculations and atomistic thermodynamics. Heats of formation, valid chemical conditions for synthesis, lanthanum substitution energies and oxygen and bismuth vacancy formation energies were computed. The study improves understanding of how native point defects and substitutional impurities influence the ferroelectric properties of these layered perovskite materials. It was found that lanthanum incorporation could occur on either of the two distinct bismuth sites in the structure and that the effect of substitution is to increase the formation energy of nearby native oxygen vacancies. The results provide direct atomistic evidence over a range of chemical conditions for the suggestion that lanthanum incorporation reduces the oxygen vacancy concentration. Oxygen vacancies contribute to ferroelectric fatigue by interacting strongly with domain walls and therefore a decrease in their concentration is beneficial. (orig./A.B.)

  6. Site Features

    Data.gov (United States)

    U.S. Environmental Protection Agency — This dataset consists of various site features from multiple Superfund sites in U.S. EPA Region 8. These data were acquired from multiple sources at different times...

  7. Substituting freshwater: Can ocean desalination and water recycling capacities substitute for groundwater depletion in California?

    Science.gov (United States)

    Badiuzzaman, Pierre; McLaughlin, Eoin; McCauley, Darren

    2017-12-01

    While the sustainability of resource depletion is a longstanding environmental concern, wider attention has recently been given to growing water scarcity and groundwater depletion. This study seeks to test the substitutability assumption embedded in weak sustainability indicators using a case study of Californian water supply. The volume of groundwater depletion is used as a proxy for unsustainable water consumption, and defined by synthesising existing research estimates into low, medium and high depletion baselines. These are compared against projected water supply increases from ocean desalination and water recycling by 2035, to determine whether new, drought-proof water sources can substitute for currently unsustainable groundwater consumption. Results show that the maximum projected supply of new water, 2.47 million acre-feet per year (MAF/yr), is sufficient to meet low depletion estimates of 2.02 MAF/yr, but fails to come near the high depletion estimate of 3.44 MAF/yr. This does not necessarily indicate physical limitations of substitutability, but more so socio-economic limitations influenced by high comparative costs. By including capacities in demand-substitutability via urban water conservation, maximum predicted capacities reach 5.57 MAF/yr, indicating wide room for substitution. Based on these results, investment in social and institutional capital is an important factor to enhance demand-side substitutability of water and other natural resources, which has been somewhat neglected by the literature on the substitutability of natural resources. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Mechanisms of Base Substitution Mutagenesis in Cancer Genomes

    Directory of Open Access Journals (Sweden)

    Albino Bacolla

    2014-03-01

    Full Text Available Cancer genome sequence data provide an invaluable resource for inferring the key mechanisms by which mutations arise in cancer cells, favoring their survival, proliferation and invasiveness. Here we examine recent advances in understanding the molecular mechanisms responsible for the predominant type of genetic alteration found in cancer cells, somatic single base substitutions (SBSs. Cytosine methylation, demethylation and deamination, charge transfer reactions in DNA, DNA replication timing, chromatin status and altered DNA proofreading activities are all now known to contribute to the mechanisms leading to base substitution mutagenesis. We review current hypotheses as to the major processes that give rise to SBSs and evaluate their relative relevance in the light of knowledge acquired from cancer genome sequencing projects and the study of base modifications, DNA repair and lesion bypass. Although gene expression data on APOBEC3B enzymes provide support for a role in cancer mutagenesis through U:G mismatch intermediates, the enzyme preference for single-stranded DNA may limit its activity genome-wide. For SBSs at both CG:CG and YC:GR sites, we outline evidence for a prominent role of damage by charge transfer reactions that follow interactions of the DNA with reactive oxygen species (ROS and other endogenous or exogenous electron-abstracting molecules.

  9. Mechanisms of base substitution mutagenesis in cancer genomes.

    Science.gov (United States)

    Bacolla, Albino; Cooper, David N; Vasquez, Karen M

    2014-03-05

    Cancer genome sequence data provide an invaluable resource for inferring the key mechanisms by which mutations arise in cancer cells, favoring their survival, proliferation and invasiveness. Here we examine recent advances in understanding the molecular mechanisms responsible for the predominant type of genetic alteration found in cancer cells, somatic single base substitutions (SBSs). Cytosine methylation, demethylation and deamination, charge transfer reactions in DNA, DNA replication timing, chromatin status and altered DNA proofreading activities are all now known to contribute to the mechanisms leading to base substitution mutagenesis. We review current hypotheses as to the major processes that give rise to SBSs and evaluate their relative relevance in the light of knowledge acquired from cancer genome sequencing projects and the study of base modifications, DNA repair and lesion bypass. Although gene expression data on APOBEC3B enzymes provide support for a role in cancer mutagenesis through U:G mismatch intermediates, the enzyme preference for single-stranded DNA may limit its activity genome-wide. For SBSs at both CG:CG and YC:GR sites, we outline evidence for a prominent role of damage by charge transfer reactions that follow interactions of the DNA with reactive oxygen species (ROS) and other endogenous or exogenous electron-abstracting molecules.

  10. Site decontamination

    International Nuclear Information System (INIS)

    Bicker, A.E.

    1981-01-01

    Among the several DOE sites that have been radiologically decontaminated under the auspices of the Nevada Operations Office are three whose physical characteristics are unique. These are the Tatum Dome Test Site (TDTS) near Hattiesburg, Mississippi; a location of mountainous terrain (Pahute Mesa) on the Nevada Test Site; and the GNOME site near Carlsbad, New Mexico. In each case the contamination, the terrain, and the climate conditions were different. This presentation includes a brief description of each site, the methods used to perform radiological surveys, the logistics required to support the decontamination (including health physics and sample analysis), and the specific techniques used to reduce or remove the contamination

  11. P. Electricity demand, substitution and resources

    International Nuclear Information System (INIS)

    1976-01-01

    This report discusses the demand for electricity in New Zealand, the accuracy of demand predictions, and whether some other form of energy could be substituted for electricity. It then discusses past and possible future electricity generation in New Zealand by geothermal steam and hydro power and the resources of gas and coal that could be made available for electricity generation

  12. Endogenous cueing attenuates object substitution masking.

    Science.gov (United States)

    Germeys, Filip; Pomianowska, I; De Graef, P; Zaenen, P; Verfaillie, K

    2010-07-01

    Object substitution masking (OSM) is a form of visual masking in which a briefly presented target surrounded by four small dots is masked by the continuing presence of the four dots after target offset. A major parameter in the prediction of OSM is the time required for attention to be directed to the target following its onset. Object substitution theory (Di Lollo et al. in J Exp Psychol Gen 129:481-507, 2000) predicts that the sooner attention can be focused at the target's location, the less masking will ensue. However, recently Luiga and Bachmann (Psychol Res 71:634-640, 2007) presented evidence that precueing of attention to the target location prior to target-plus-mask onset by means of a central (endogenous) arrow cue does not reduce OSM. When attention was cued exogenously, OSM was attenuated. Based on these results, Luiga and Bachmann argued that object substitution theory should be adapted by differentiating the ways of directing attention to the target location. The goal of the present study was to further examine the dissociation between the effects of endogenous and exogenous precueing on OSM. Contrary to Luiga and Bachmann, our results show that prior shifts of attention to the target location initiated by both exogenous and endogenous cues reduce OSM as predicted by object substitution theory and its computational model CMOS.

  13. Substitute fluid examinations for liquid manure

    Directory of Open Access Journals (Sweden)

    Schrader Kevin

    2017-01-01

    Full Text Available For the farming industry it is essential to use liquid manure as natural fertilizer. Through new agricultural regulation 2015 in Germany the industry must develop new liquid manure spreader systems because the ammonia and methane emission are limited. In a research project the University of Applied Sciences Zwickau and some other industry partners will develop such a new innovative liquid manure spreader. The new liquid manure spreader should use pulsating air to distribute the liquid manure exactly. The pulsating air, which flows through the pipelines, should be analysed at a test station. For examinations at this test station it is important to find another substitute fluid because liquid manure smells strong, is not transparent and is also not homogeneous enough for scientific investigations. Furthermore it is important to ensure that the substitute fluid is, like liquid manure, a non-Newtonian fluid. The substitute fluid must be a shear-thinning substance - this means the viscosity decrease at higher shear rate. Many different samples like soap-water-farragoes, jelly-water-farragoes, agar-water-farragoes, soap-ethanol-farragoes and more are, for the project, examined in regard of their physical properties to find the best substitute fluid. The samples are examined at the rotational viscometer for viscosity at various shear rates and then compared with the viscosity values of liquid manure.

  14. Substitute fluid examinations for liquid manure

    Science.gov (United States)

    Schrader, Kevin; Riedel, Marco; Eichert, Helmut

    For the farming industry it is essential to use liquid manure as natural fertilizer. Through new agricultural regulation 2015 in Germany the industry must develop new liquid manure spreader systems because the ammonia and methane emission are limited. In a research project the University of Applied Sciences Zwickau and some other industry partners will develop such a new innovative liquid manure spreader. The new liquid manure spreader should use pulsating air to distribute the liquid manure exactly. The pulsating air, which flows through the pipelines, should be analysed at a test station. For examinations at this test station it is important to find another substitute fluid because liquid manure smells strong, is not transparent and is also not homogeneous enough for scientific investigations. Furthermore it is important to ensure that the substitute fluid is, like liquid manure, a non-Newtonian fluid. The substitute fluid must be a shear-thinning substance - this means the viscosity decrease at higher shear rate. Many different samples like soap-water-farragoes, jelly-water-farragoes, agar-water-farragoes, soap-ethanol-farragoes and more are, for the project, examined in regard of their physical properties to find the best substitute fluid. The samples are examined at the rotational viscometer for viscosity at various shear rates and then compared with the viscosity values of liquid manure.

  15. Trace maps for arbitrary substitution sequences

    International Nuclear Information System (INIS)

    Avishai, Y.

    1993-01-01

    The discovery of quasi-crystals and their 1-dimensional modeling have led to a deep mathematical study of Schroedinger operators with an arbitrary deterministic potential sequence. In this work we address this problem and find trace maps for an arbitrary substitution sequence. our trace maps have lower dimensionality than those of Kolar and Nori, which make them quite attractive for actual applications. (authors)

  16. Fossil Fuels, Backstop Technologies, and Imperfect Substitution

    NARCIS (Netherlands)

    van der Meijden, G.C.; Pittel, Karen; van der Ploeg, Frederick; Withagen, Cees

    2014-01-01

    This chapter studies the transition from fossil fuels to backstop technologies in a general equilibrium model in which growth is driven by research and development. The analysis generalizes the existing literature by allowing for imperfect substitution between fossil fuels and the new energy

  17. 3-Substituted 2-phenyl-indoles

    DEFF Research Database (Denmark)

    Johansson, Karl Henrik; Jørgensen, T.B.; Gloriam, D.E.

    2013-01-01

    -indoles with a variety of substituents at the indole 3-position. Herein we describe the development of optimised and efficient synthetic routes to a series of new 2-phenyl-indole building blocks 3 to 9 and show that these can be used to generate a broad variety of 3-substituted 2-phenyl-indoles of interest to medicinal...

  18. Law of substitution for mixed arrays

    International Nuclear Information System (INIS)

    Koudelka, A.J.

    1987-01-01

    The nuclear safety justification of a mixed array of dissimilar fissile units of metal units and dilute solution units, according to Clayton, has been a persistent and nagging problem. Dissimilar uranium metal or dissimilar uranium solution units in a mixed array can also create a modeling nightmare for the nuclear criticality safety engineer. Now, a calculational method known as the Law of Substitution has been developed to ensure that the k/sub eff/ of an array of uranium metal and uranium solution units will satisfy any k/sub eff/ limit set by the nuclear safety engineer. The nuclear criticality safety engineer can utilize the Law of Substitution to safely mix or substitute different uranium metal units, different uranium solution units, and more importantly, uranium metal and dilute UO 2 solution units in an array. The Law of Substitution is as follows: (1) calculate the k/sub eff/ of each unit type in its own infinite planar array. (2) Determine the edge-to-edge spacing of the infinite planar array of each type of unit to satisfy a desired k/sub eff/. (3) Select the largest edge-to-edge spacing from among the similar units in their infinite planar arrays and use that spacing for the finite or infinite planar array of mixed units

  19. Thermal stability of 4-substituted benzenediazonium tetrafluoroborates

    International Nuclear Information System (INIS)

    Bruner, V.Ya.

    1990-01-01

    Heating of tetraborates of 4-methyl-, 4-phenyl- and 4-dimethylaminobenzenediazonium at 95, 120 and 148 deg, correspondingly, causes their autocatalytic destruction, two moles of gas (nitrogen, boron fluoride) being liberated. The thermal stability of 4-substituted benzenediazonium tetrafluoroborates increases with the increase of the electron-donor activity of the substituent at benzene ring

  20. complexes based on meso-substituted dipyrrins

    Indian Academy of Sciences (India)

    Keywords. Coordination polymers; meso-substituted dipyrrins; heteroleptic; acetylacetonato; ... Room temperature magnetic susceptibility measurements were ... After cooling to ambient tem- perature it ... crystals of 1 were obtained from CH2Cl2/ hexane (1. : 1) solution. .... are air-stable, crystalline solids, soluble in common.

  1. Facile Synthesis of N -Substituted Benzimidazoles

    NARCIS (Netherlands)

    Kurhade, Santosh; Rossetti, Arianna; Dömling, Alexander

    2016-01-01

    A particularly mild and efficient one-pot synthesis of N-substituted benzimidazole derivatives was developed. 2-Fluoro-5-nitrophenylisocyanide reacts with a diverse set of primary amines to afford the respective products in moderate to very good yield (35-95%; 20 examples).

  2. Symptomatic hemorrhagic complications associated with dural substitutes

    Directory of Open Access Journals (Sweden)

    Po-Yuan Chen

    2018-01-01

    Conclusion: The increased risk of hemorrhagic complications associated with craniotomy is modified by choice of dural replacement. Our results could assist clinicians in their decision-making with respect to the optimal timing for synthetic dural substitutes in patients with tumor infiltration of the patient's dura, severe brain swelling in traumatic brain injury, or a result of shrinkage from exposure and electrocautery.

  3. Stochastic diffusion models for substitutable technological innovations

    NARCIS (Netherlands)

    Wang, L.; Hu, B.; Yu, X.

    2004-01-01

    Based on the analysis of firms' stochastic adoption behaviour, this paper first points out the necessity to build more practical stochastic models. And then, stochastic evolutionary models are built for substitutable innovation diffusion system. Finally, through the computer simulation of the

  4. Ultrasound Promoted Synthesis of Bis(substituted pyrazol-4-ylcarbonyl-Substituted Thioureas

    Directory of Open Access Journals (Sweden)

    Li Xiao

    2009-03-01

    Full Text Available A series of novel bis(substituted pyrazol-4-ylcarbonyl-substituted thioureas have been synthesized by the reactions of substituted pyrazol-4-ylcarbonyl isothiocyanates with different diamines under ultrasound irradiation and classical heating method at 20-25 °C. In general, substantial improvement in rates and modest yields increases were observed when reactions were carried out under sonication, compared with the classical heating method. The structures of these compounds have been elucidated by elemental and spectral (IR, 1H-NMR analysis.

  5. Site organization and site arrangement

    International Nuclear Information System (INIS)

    Boissonnet, B.; Macqueron, J.F.

    1976-01-01

    The present paper deals with criteria for the choice of a production unit or power plant site, the organization and development of a site in terms of its particular characteristics and takes into account personnel considerations in site organizations as well as the problem of integrating the architecture into the environment. (RW) [de

  6. Prescribing under the Influence: The Business of Breastmilk Substitutes

    Directory of Open Access Journals (Sweden)

    Rosa Rios

    2016-09-01

    Full Text Available This study draws on a general theoretical framework comprising of a decision maker (a doctor, perceived moral intensity of the issue (breastfeeding substitute prescription, and the situational environment (hospital policy, pharma company promotions, and mother’s beliefs regarding breastfeeding to explain the physician’s role and influence on mothers’ infant feeding choices when prescribing infant formula in Kuwait, Middle East. Moral intensity is an issue-contingent model that suggests ethical decisions vary in terms of how much a moral imperative is present in a situation. The moral intensity of the issue is assessed using six components. Path Least Squares results indicate the following moral intensity components have significant impact on prescription behavior: magnitude of consequences, probability of effect, and temporal immediacy. Company promotion and hospital policy also significantly influence doctor’s prescription of infant formula. Doctors appear to disengage from the consequences of over prescribing infant formula.

  7. Public Service Motivation and Monetary Incentives: Substitutes or Motivation Crowding?

    DEFF Research Database (Denmark)

    Jacobsen, Christian Bøtcher

    2011-01-01

    Motivation is probably one of the most important determinants for organizational performance, because it stimulates effort and effective behaviors among people in the organization. But what type of motivation should public managers rely on? The PSM literature has argued that public service...... motivation is the most important type of motivation in the delivery of public service, because it substitutes for egoistic motivation. Organizations whose members have high levels of PSM are therefore expected to be less dependent on utilitarian motivators such as monetary incentives. Motivation crowding...... theory, on the other hand, argues that the relationship is opposite, so it is the degree of incentives that affects motivation. Both arguments lead to expectations of an association between public service motivation and monetary incentives, but so far this complex relationship has not been entangled...

  8. Catalytic hydrodeoxygenation of methyl-substituted phenols: correlations of kinetic parameters with molecular properties.

    Science.gov (United States)

    Massoth, F E; Politzer, P; Concha, M C; Murray, J S; Jakowski, J; Simons, Jack

    2006-07-27

    The hydrodeoxygenation of methyl-substituted phenols was carried out in a flow microreactor at 300 degrees C and 2.85 MPa hydrogen pressure over a sulfided CoMo/Al(2)O(3) catalyst. The primary reaction products were methyl-substituted benzene, cyclohexene, cyclohexane, and H(2)O. Analysis of the results suggests that two independent reaction paths are operative, one leading to aromatics and the other to partially or completely hydrogenated cyclohexanes. The reaction data were analyzed using Langmuir-Hinshelwood kinetics to extract the values of the reactant-to-catalyst adsorption constant and of the rate constants characterizing the two reaction paths. The adsorption constant was found to be the same for both reactions, suggesting that a single catalytic site center is operative in both reactions. Ab initio electronic structure calculations were used to evaluate the electrostatic potentials and valence orbital ionization potentials for all of the substituted phenol reactants. Correlations were observed between (a) the adsorption constant and the two reaction rate constants measured for various methyl-substitutions and (b) certain moments of the electrostatic potentials and certain orbitals' ionization potentials of the isolated phenol molecules. On the basis of these correlations to intrinsic reactant-molecule properties, a reaction mechanism is proposed for each pathway, and it is suggested that the dependencies of adsorption and reaction rates upon methyl-group substitution are a result of the substituents' effects on the electrostatic potential and orbitals rather than geometric (steric) effects.

  9. The improved magnetic properties in phosphorus substituted Pr-Fe-P-B nanocomposites

    International Nuclear Information System (INIS)

    Jin, Z.Q.; Zhang, Y.; Wang, H.L.; Klaessig, A.; Bonder, M.; Hadjipanayis, G.C.

    2003-01-01

    Phosphorus substituted (Pr,Tb) 8 (Fe,Nb,Zr,P) 88 B 4 nanocomposites have been produced by melt-spinning. The effects of phosphorus substitution as well as wheel speed on the crystallization behavior and magnetic properties of the melt-spun samples have been investigated. With the substitution of phosphorus, the crystallization temperature of amorphous phase increases. The optimum wheel speed was found to be around 25 m/s for as-spun ribbons and 40 m/s for the annealed samples, both of which present excellent second quadrant hysteresis loop shapes due to the fine grain size of α-Fe which is around 20 nm. The addition of phosphorus also greatly improves the coercivity of Pr-Fe-B nanocomposites without a significant loss of saturation magnetization. A higher coercivity of 9.2 kOe in P-substituted samples was obtained as compared to 8.1 kOe in P-free samples. This is attributed to a narrower temperature span between the crystallization into TbCu 7 structure and the transformation into the 2:14:1 phase caused by the phosphorus substitution

  10. Multiple electrical phase transitions in Al substituted barium hexaferrite

    Science.gov (United States)

    Kumar, Sunil; Supriya, Sweety; Kar, Manoranjan

    2017-12-01

    Barium hexaferrite is known to be a very good ferromagnetic material. However, it shows very good dielectric properties, i.e., the dielectric constant is comparable to that of the ferroelectric material. However, its crystal symmetry does not allow it to be a ferroelectric material. Hence, the electrical properties have revived the considerable research interest on these materials, not only for academic interest, but also for technological applications. There are a few reports on temperature dependent dielectric behavior of these materials. However, the exact cause of dielectric as well as electrical conductivity is yet to be established. Hence, Al (very good conducting material) substituted barium hexaferrite (BaFe12-xAlxO19, x = 0.0-4.0) has been prepared by following the modified sol-gel method to understand the ac and DC electrical properties of these materials. The crystal structure and parameters have been studied by employing the XRD and FTIR techniques. There are two transition temperatures, which have been observed in the temperature dependent ac dielectric and DC resistivity measurement. The response of dielectric behaviors to temperature is similar to that of the ferroelectric material; however, the dielectric polarization is due to the polaron hopping, which is evident from the DC resistivity analysis. Hence, the present observations lead to understand the electrical properties of barium hexaferrite. The frequency dependent dielectric dispersion can be understood by the modified Debye model. More interestingly, the dielectric constant decreases and DC resistivity increases with the increase in the Al concentration, which has the correlation between bond length modifications in the crystal due to substitution.

  11. Site operations

    International Nuclear Information System (INIS)

    House, W.B.; Ebenhack, D.G.

    1989-01-01

    This chapter is a discussion of the management and operations practices used at the Barnwell Waste Management Facility in Barnwell, SC. The following topics are discussed: (1) Waste receiving and inspection, including manifest and certificates of compliance, radiological surveys, disposition of nonconforming items, and decontamination and disposition of secondary waste streams; (2) Waste disposal, including Title 10 CFR 61 requirements, disposal area evaluations, shipment offloading, container emplacement, and radiation protection; (3) Trench closure, including trench backfilling, trench capping, and permanent markers; (4) Site maintenance and stabilization, including trench maintenance, surface water management, and site closure activities; (5) Site monitoring programs, including operational monitoring, and environmental monitoring program; (6) Personnel training and qualifications, including basic training program, safety training program, special skills training, and physical qualifications; (7) Records management, including waste records, personnel training records, personnel dosimetry records, site monitoring records, trench qualification and construction records, and site drawings and stabilization records; (8) Site security; (9) Emergency response plans; and (10) Quality assurance

  12. Substitution treatment for opioid addicts in Germany

    Directory of Open Access Journals (Sweden)

    Gerlach Ralf

    2007-02-01

    Full Text Available Abstract Background After a long and controversial debate methadone maintenance treatment (MMT was first introduced in Germany in 1987. The number of patients in MMT – first low because of strict admission criteria – increased considerably since the 1990s up to some 65,000 at the end of 2006. In Germany each general practitioner (GP, who has completed an additional training in addiction medicine, is allowed to prescribe substitution drugs to opioid dependent patients. Currently 2,700 GPs prescribe substitution drugs. Psychosocial care should be made available to all MMT patients. Results The results of research studies and practical experiences clearly indicate that patients benefit substantially from MMT with improvements in physical and psychological health. MMT proves successful in attaining high retention rates (65 % to 85 % in the first years, up to 50 % after more than seven years and plays a major role in accessing and maintaining ongoing medical treatment for HIV and hepatitis. MMT is also seen as a vital factor in the process of social re-integration and it contributes to the reduction of drug related harms such as mortality and morbidity and to the prevention of infectious diseases. Some 10 % of MMT patients become drug-free in the long run. Methadone is the most commonly prescribed substitution medication in Germany, although buprenorphine is attaining rising importance. Access to MMT in rural areas is very patchy and still constitutes a problem. There are only few employment opportunities for patients participating in MMT, although regular employment is considered unanimously as a positive factor of treatment success. Substitution treatment in German prisons is heterogeneous in access and treatment modalities. Access is very patchy and the number of inmates in treatment is limited. Nevertheless, substitution treatment plays a substantial part in the health care system provided to drug users in Germany. Conclusion In Germany, a

  13. Substitution treatment for opioid addicts in Germany.

    Science.gov (United States)

    Michels, Ingo Ilja; Stöver, Heino; Gerlach, Ralf

    2007-02-02

    After a long and controversial debate methadone maintenance treatment (MMT) was first introduced in Germany in 1987. The number of patients in MMT--first low because of strict admission criteria--increased considerably since the 1990s up to some 65,000 at the end of 2006. In Germany each general practitioner (GP), who has completed an additional training in addiction medicine, is allowed to prescribe substitution drugs to opioid dependent patients. Currently 2,700 GPs prescribe substitution drugs. Psychosocial care should be made available to all MMT patients. The results of research studies and practical experiences clearly indicate that patients benefit substantially from MMT with improvements in physical and psychological health. MMT proves successful in attaining high retention rates (65% to 85% in the first years, up to 50% after more than seven years) and plays a major role in accessing and maintaining ongoing medical treatment for HIV and hepatitis. MMT is also seen as a vital factor in the process of social re-integration and it contributes to the reduction of drug related harms such as mortality and morbidity and to the prevention of infectious diseases. Some 10% of MMT patients become drug-free in the long run. Methadone is the most commonly prescribed substitution medication in Germany, although buprenorphine is attaining rising importance. Access to MMT in rural areas is very patchy and still constitutes a problem. There are only few employment opportunities for patients participating in MMT, although regular employment is considered unanimously as a positive factor of treatment success. Substitution treatment in German prisons is heterogeneous in access and treatment modalities. Access is very patchy and the number of inmates in treatment is limited. Nevertheless, substitution treatment plays a substantial part in the health care system provided to drug users in Germany. In Germany, a history of substitution treatment spanning 20 years has meanwhile

  14. Quantitation of base substitutions in eukaryotic 5S rRNA: selection for the maintenance of RNA secondary structure.

    Science.gov (United States)

    Curtiss, W C; Vournakis, J N

    1984-01-01

    Eukaryotic 5S rRNA sequences from 34 diverse species were compared by the following method: (1) The sequences were aligned; (2) the positions of substitutions were located by comparison of all possible pairs of sequences; (3) the substitution sites were mapped to an assumed general base pairing model; and (4) the R-Y model of base stacking was used to study stacking pattern relationships in the structure. An analysis of the sequence and structure variability in each region of the molecule is presented. It was found that the degree of base substitution varies over a wide range, from absolute conservation to occurrence of over 90% of the possible observable substitutions. The substitutions are located primarily in stem regions of the 5S rRNA secondary structure. More than 88% of the substitutions in helical regions maintain base pairing. The disruptive substitutions are primarily located at the edges of helical regions, resulting in shortening of the helical regions and lengthening of the adjacent nonpaired regions. Base stacking patterns determined by the R-Y model are mapped onto the general secondary structure. Intrastrand and interstrand stacking could stabilize alternative coaxial structures and limit the conformational flexibility of nonpaired regions. Two short contiguous regions are 100% conserved in all species. This may reflect evolutionary constraints imposed at the DNA level by the requirement for binding of a 5S gene transcription initiation factor during gene expression.

  15. The effect of simultaneous substitution on the electronic band structure and thermoelectric properties of Se-doped Co3SnInS2 with the Kagome lattice

    OpenAIRE

    Fujioka, Masaya; Shibuya, Taizo; Nakai, Junya; Yoshiyasu, Keigo; Sakai, Yuki; Takano, Yoshihiko; Kamihara, Yoichi; Matoba, Masanori

    2012-01-01

    The thermoelectric properties and electronic band structures for Se-doped Co3SnInS2 were examined. The parent compound of this material (Co3Sn2S2) has two kinds of Sn sites (Sn1 and Sn2 sites). The density functional theory (DFT) calculations show that the indium substitution at the Sn2 site induces a metallic band structure, on the other hand, a semiconducting band structure is obtained from substitution at the Sn1 site. However, according to the previous reports, since the indium atom prefe...

  16. Thermoelectric properties of a Mn substituted synthetic tetrahedrite.

    Science.gov (United States)

    Chetty, Raju; D S, Prem Kumar; Rogl, Gerda; Rogl, Peter; Bauer, Ernst; Michor, Herwig; Suwas, Satyam; Puchegger, Stephan; Giester, Gerald; Mallik, Ramesh Chandra

    2015-01-21

    Tetrahedrite compounds Cu(12-x)Mn(x)Sb4S13 (0 ≤x≤ 1.8) were prepared by solid state synthesis. A detailed crystal structure analysis of Cu10.6Mn1.4Sb4S13 was performed by single crystal X-ray diffraction (XRD) at 100, 200 and 300 K confirming the noncentrosymmetric structure (space group I4[combining macron]3m) of a tetrahedrite. The large atomic displacement parameter of the Cu2 atoms was described by splitting the 12e site into a partially and randomly occupied 24g site (Cu22) in addition to the regular 12e site (Cu21), suggesting a mix of dynamic and static off-plane Cu2 atom disorder. Rietveld powder XRD pattern and electron probe microanalysis revealed that all the Mn substituted samples showed a single tetrahedrite phase. The electrical resistivity increased with increasing Mn due to substitution of Mn(2+) at the Cu(1+) site. The positive Seebeck coefficient for all samples indicates that the dominant carriers are holes. Even though the thermal conductivity decreased as a function of increasing Mn, the thermoelectric figure of merit ZT decreased, because the decrease of the power factor is stronger than the decrease of the thermal conductivity. The maximum ZT = 0.76 at 623 K is obtained for Cu12Sb4S13. The coefficient of thermal expansion 13.5 ± 0.1 × 10(-6) K(-1) is obtained in the temperature range from 460 K to 670 K for Cu10.2Mn1.8Sb4S13. The Debye temperature, Θ(D) = 244 K for Cu10.2Mn1.8Sb4S13, was estimated from an evaluation of the elastic properties. The effective paramagnetic moment 7.45 μB/f.u. for Cu10.2Mn1.8Sb4S13 is fairly consistent with a high spin 3d(5) ground state of Mn.

  17. SUBSTITUTION OF CADMIUM CYANIDE ELECTROPLATING WITH ZINC CHLORIDE ELECTROPLATING

    Science.gov (United States)

    The study evaluated the zinc chloride electroplating process as a substitute for cadmium cyanide electroplating in the manufacture of industrial connectors and fittings at Aeroquip Corporation. The process substitution eliminates certain wastes, specifically cadmium and cyanide, ...

  18. Convergent synthesis of 6-substituted phenanthridines via anionic ring closure

    DEFF Research Database (Denmark)

    Lysén, M.; Kristensen, Jesper Langgaard; Vedsø, P.

    2002-01-01

    Chemical equation presented The addition of organometallic derivatives to the cyano group of 2-(2-fluorophenyl)benzonitrile followed by intramolecular nucleophilic substitution produces 6-substituted phenanthridines. Alkyllithiums, aryllithiums, and sterically nondemanding lithium amides reacted ...

  19. Primary stability of different plate positions and the role of bone substitute in open wedge high tibial osteotomy.

    Science.gov (United States)

    Takeuchi, Ryohei; Woon-Hwa, Jung; Ishikawa, Hiroyuki; Yamaguchi, Yuichiro; Osawa, Katsunari; Akamatsu, Yasushi; Kuroda, Koichi

    2017-12-01

    The purpose of this study was to compare the mechanical fixation strengths of anteromedial and medial plate positions in osteotomy, and clarify the effects of bone substitute placement into the osteotomy site. Twenty-eight sawbone tibia models were used. Four different models were prepared: Group A, the osteotomy site was open and the plate position was anteromedial; Group B, bone substitutes were inserted into the osteotomy site and the plate position was anteromedial; Group C, the osteotomy site was open and the plate position was medial; and Group D, bone substitutes were inserted into the osteotomy site and the plate position was medial. The loading condition ranged from 0 to 800N and one hertz cycles were applied. Changes of the tibial posterior slope angle (TPS), stress on the plate and lateral hinge were measured. The changes in the TPS and the stress on the plate were significantly larger in Group A than in Group C. These were significantly larger in Group A than in Group B, and in Group C than in Group D. There was no significant difference between Group B and Group D, and no significant difference between knee flexion angles of 0° and 10°. Stress on the lateral hinge was significantly smaller when bone substitute was used. A medial plate position was biomechanically superior to an anteromedial position if bone substitute was not used. Bone substitute distributed the stress concentration around the osteotomy gap and prevented an increase in TPS angle regardless of the plate position. Copyright © 2017. Published by Elsevier B.V.

  20. Characterization of hydroxyapatite substituted with silicon

    International Nuclear Information System (INIS)

    Silva, H.M. da; Soares, G.A.; Mateescu, M.; Anselme, K.; Palard, M.; Champion, E.

    2009-01-01

    Incorporation of silicon (Si) ions into hydroxyapatite structure (HA) influences on physical, chemical and physiological properties. Some studies reported the improved bioactivity Si substitution, and it also accelerates the biomineralization process. The main objective of this work is to characterize stoichiometric hydroxyapatite and hydroxyapatite substituted with 1.13% in weight of Si (SiHA) using a wet precipitation method followed by a heat treatment. SEM/EDS, AFM, DRX and FTIR analyses were used to characterize the samples. EDS and FTIR results confirmed the presence of Si. Silicon induces small changes on crystal structure of HA, not detected on X-ray diffraction patterns of sintered tablets of SiHA and HA. No secondary phases were observed, that indicates the Si had entered the HA lattice. (author)

  1. Politician2.0 on Facebook: Information Behavior and Dissemination on Social Networking Sites – Gaps and Best-Practice. Evaluation Results of a novel eParticipation toolbox to let politicians engage with citizens online.

    Directory of Open Access Journals (Sweden)

    Timo Wandhoefer

    2012-01-01

    Full Text Available This article covers our findings on information behavior and dissemination of parliamentary decision-makers in terms of using Social Networking Sites like Facebook. The article investigates why politicians use those technologies and integrate them more and more in their everyday workflow. In addition to the purpose of social network usage, the focus of our paper is also on best practices and how to deal with challenges like authenticity of politicians’ online profiles. The results presented within the remit of this paper are the outcome of 16 semi-structured interviews that took place as part of an evaluation effort within the EU research project WeGov [1]. The overall aim of the project is to develop a toolbox that enriches the dialogue between citizens and politicians on the web.

  2. The substitution bias of the consumer price index

    OpenAIRE

    Frenger, Petter

    2006-01-01

    Abstract: The paper uses elementary consumer theory to propose an inflation independent ratio definition of the substitution bias of the Laspeyres consumer price index, and derives an approximate substitution bias which depends on the size of the price change as measured by a norm in the Laspeyres plane and on the elasticity of substitution in the direction of the price change. This norm or distance measure can be interpreted as a price substitution index which yields useful in...

  3. Percutaneous fetoscopic closure of large open spina bifida using a bilaminar skin substitute.

    Science.gov (United States)

    Lapa Pedreira, Denise A; Acacio, Gregório L; Gonçalves, Rodrigo T; Sá, Renato Augusto M; Brandt, Reynaldo A; Chmait, Ramen; Kontopoulos, Eftichia; Quintero, Ruben A

    2018-01-04

    We have previously described our percutaneous fetoscopic technique for the treatment of open spina bifida (OSB). However, approximately 20-30% of OSB defects are too large to allow primary skin closure. We hereby describe a modification of our standard technique using a bilaminar skin substitute to allow closure of such large spinal defects. The aim of this study was to report our clinical experience with the use of a bilaminar skin substitute and a percutaneous fetoscopic technique for the prenatal closure of large spina bifida defects. Surgeries were performed between 24.0 and 28.9 gestational weeks under general anesthesia, using an entirely percutaneous fetoscopic approach with partial CO2 insufflation of the uterine cavity, as previously described. If there was enough skin to be sutured in the midline, only a biocellulose patch was placed over the placode. In cases where skin approximation was not possible, a bilaminar skin substitute (two layers: one silicone and one dermal matrix) was placed over the biocellulose. The surgical site was assessed at birth, and long-term follow-up was performed. Forty-seven consecutive fetuses underwent percutaneous fetoscopic OSB repair. Premature preterm rupture of membranes (PPROM) occurred in 38 (84%), and the mean gestational age at delivery was 32,8 + 2.5 weeks. A bilaminar skin substitute was required in 13 (29%), of which 5 was associated with myeloschisis. In all cases the skin substitute was found at the surgical site, at birth. In 3 (15%) of these cases, postnatal additional repair was needed. In the other 10 cases, the silicone layer detached spontaneously from the dermal matrix (average 25 days after birth), and the lesion healed by secondary-intention. Operating time was significantly longer in cases requiring the bilaminar skin substitute (additional 42 minutes). The subgroup with bilaminar skin substitute had similar PPROM rate and delivery gestational age compared to the one patch group. Complete reversal of

  4. Unemployment, Factor Substitution, and Capital Formation

    OpenAIRE

    Leo Kaas; Leopold von Thadden

    2001-01-01

    We incorporate a wage bargaining structure in a dynamic general equilibrium model and show how this feature changes short and long-run properties of equilibria compared with a perfectly competitive setting. We discuss how employment, capital, and income shares respond to wage setting shocks and show that adjustment dynamics depend decisively on the magnitude of the elasticity of substitution between labour and capital. Values of the elasticity below unity add persistence, tend to preserve sta...

  5. Mindfulness as substitute for transformational leadership

    OpenAIRE

    Kroon, B.; van Woerkom, M.; Menting, Charlotte

    2017-01-01

    Purpose Transformational leaders spark the intrinsic motivation of employees, thereby stimulating their extra-role performance. However, not all employees are lucky enough to have a transformational leader. The purpose of this paper is to investigate to what extent mindfulness can function as a substitute for transformational leadership. By being attentive to and aware of what is taking place in the present, mindfulness provides employees with a source of intrinsic motivation that lies within...

  6. Neutron scattering from a substitutional mass defect

    International Nuclear Information System (INIS)

    Williams, R.D.; Lovesey, S.W.

    1985-06-01

    The dynamic structure factor is calculated for a low concentration of light mass scatterers substituted in a cubic crystal matrix. A new numerical method for the exact calculation is demonstrated. A local density of states for the low momentum transfer limit, and the shifts and widths of the oscillator peaks in the high momentum transfer limit are derived. The limitations of an approximation which decouples the defect from the lattice is discussed. (author)

  7. Synthesis of 2-azetidinones substituted quinoline derivative

    Directory of Open Access Journals (Sweden)

    Mashelkar Uday C.

    2013-01-01

    Full Text Available Acetanilide is converted into 2-chloro-3-formyl quinoline by reacting with DMF-POCl3 at 80-90ºC and then condensed with aromatic primary amines to give Schiff bases (3a-3c. These Schiff bases are then reacted with acid chlorides in the presence of base in toluene to give 1, 3, 4-substituted 2-azetidinones.

  8. Effect of the assignment of ancestral CpG state on the estimation of nucleotide substitution rates in mammals

    Directory of Open Access Journals (Sweden)

    Keightley Peter D

    2008-09-01

    Full Text Available Abstract Background Molecular evolutionary studies in mammals often estimate nucleotide substitution rates within and outside CpG dinucleotides separately. Frequently, in alignments of two sequences, the division of sites into CpG and non-CpG classes is based simply on the presence or absence of a CpG dinucleotide in either sequence, a procedure that we refer to as CpG/non-CpG assignment. Although it likely that this procedure is biased, it is generally assumed that the bias is negligible if species are very closely related. Results Using simulations of DNA sequence evolution we show that assignment of the ancestral CpG state based on the simple presence/absence of the CpG dinucleotide can seriously bias estimates of the substitution rate, because many true non-CpG changes are misassigned as CpG. Paradoxically, this bias is most severe between closely related species, because a minimum of two substitutions are required to misassign a true ancestral CpG site as non-CpG whereas only a single substitution is required to misassign a true ancestral non-CpG site as CpG in a two branch tree. We also show that CpG misassignment bias differentially affects fourfold degenerate and noncoding sites due to differences in base composition such that fourfold degenerate sites can appear to be evolving more slowly than noncoding sites. We demonstrate that the effects predicted by our simulations occur in a real evolutionary setting by comparing substitution rates estimated from human-chimp coding and intronic sequence using CpG/non-CpG assignment with estimates derived from a method that is largely free from bias. Conclusion Our study demonstrates that a common method of assigning sites into CpG and non CpG classes in pairwise alignments is seriously biased and recommends against the adoption of ad hoc methods of ancestral state assignment.

  9. Interfuel substitution in the United States

    Energy Technology Data Exchange (ETDEWEB)

    Serletis, Apostolos; Vasetsky, Olexandr [Department of Economics, University of Calgary, Calgary, Alberta (Canada); Timilsina, Govinda R. [Development Research Group, The World Bank, 1818 H Street N.W., Washington, DC 20433 (United States)

    2010-05-15

    In this paper, we use the locally flexible translog functional form to investigate the demand for energy and interfuel substitution in the United States and to provide a comparison of our results with most of the existing empirical energy demand literature. Motivated by the widespread practice of ignoring theoretical regularity, we follow Barnett's (2002) suggestions and estimate the model subject to theoretical regularity, using methods developed by Diewert and Wales (1987) and Ryan and Wales (2000), in an attempt to produce inference consistent with neoclassical microeconomic theory. Moreover, we use the most recent data, published by the U.S. Energy Information Administration (EIA), and in addition to investigating interfuel substitution possibilities in total U.S. energy demand, we follow Serletis et al. (2009) and also examine interfuel substitution possibilities in energy demand by sector. Moreover, we test for weak separability, with the objective of discovering the structure of the functional form in total energy demand as well as energy demand by sector. (author)

  10. 40 CFR 721.4596 - Diazo substituted carbomonocyclic metal complex.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Diazo substituted carbomonocyclic... Specific Chemical Substances § 721.4596 Diazo substituted carbomonocyclic metal complex. (a) Chemical... as a diazo substituted carbomonocyclic metal complex (PMN P-94-1039) is subject to reporting under...

  11. 40 CFR 721.5350 - Substituted nitrile (generic name).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Substituted nitrile (generic name... Substances § 721.5350 Substituted nitrile (generic name). (a) Chemical substances and significant new uses subject to reporting. (1) The chemical substance identified generically as a substituted nitrile (PMN P-83...

  12. 40 CFR 721.10043 - Dineopentyl-4-substituted phthalate (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Dineopentyl-4-substituted phthalate... Specific Chemical Substances § 721.10043 Dineopentyl-4-substituted phthalate (generic). (a) Chemical... as dineopentyl-4-substituted phthalate (PMN P-02-697) is subject to reporting under this section for...

  13. Arylazoindazole Photoswitches : Facile Synthesis and Functionalization via SNAr Substitution

    NARCIS (Netherlands)

    Travieso-Puente, Raquel; Budzak, Simon; Chen, Juan; Stacko, Peter; Jastrzebski, Johann T B H; Jacquemin, Denis; Otten, Edwin

    2017-01-01

    A straightforward synthetic route to arylazoindazoles via nucleophilic aromatic substitution is presented. Upon deprotonation of the NH group, a C6F5-substituted formazan undergoes facile cyclization as a result of intermolecular nucleophilic substitution (SNAr). This new class of azo photoswitches

  14. Sinus Floor Elevation and Augmentation Using Synthetic Nanocrystalline and Nanoporous Hydroxyapatite Bone Substitute Materials: Preliminary Histologic Results.

    Science.gov (United States)

    Belouka, Sofia-Maria; Strietzel, Frank Peter

    To compare the tissue composition of augmented sites after using two different synthetic bone substitute materials, nanocrystalline and nanoporous hydroxyapatite (HA), for sinus floor elevation and augmentation. Forty-four patients received 88 titanium screw implants (Camlog Promote plus) of 4.3-mm diameter and 11- or 13-mm length, placed simultaneously during sinus floor elevation and augmentation. Nanocrystalline (Ostim) or nanoporous (NanoBone) HA were used exclusively. Bone substitute materials and implant lengths were allocated by randomization. Bone biopsy specimens were obtained from the former area of the lateral access window at implant exposure during healing abutment placement after 6 months. Biopsy specimens were prepared and examined histologically and histomorphometrically. All implants were osseointegrated at the time of exposure. Clinically and histologically, no signs of inflammation in the augmented sites were present. The histomorphometric analysis of 44 biopsy specimens revealed 31.8% ± 11.6% newly formed bone for sites augmented with nanocrystalline HA and 34.6% ± 9.2% for nanoporous HA (P = .467). The proportion of remaining bone substitute material was 28.4% ± 18.6% and 30% ± 13%, respectively (P = .453). The proportion of soft tissue within the biopsy specimens was 39.9% ± 11.1% and 35.4% ± 6.8%, respectively (P = .064). No significant differences were found between the area fractions of bone, bone substitute material, and soft tissue concerning the bone substitute material utilized. Within the present study, both synthetic bone substitute materials, nanocrystalline and nanoporous HA, were found to support bone formation in sinus floor elevation and augmentation procedures by osteoconductivity. They were not completely resorbed after 6 months. The amounts of newly formed bone, soft tissue, and bone substitute material remnants were found to be similar, indicating that both materials are likewise suitable for sinus floor elevation and

  15. Anomalous temperature dependence of the Seebeck coefficient for the substitutionally-disordered hopping conductors

    International Nuclear Information System (INIS)

    Raffaelle, R.P.; Parris, P.E.; Anderson, H.U.; Sparlin, D.M.

    1991-01-01

    Thermoelectric power measurements are presented for the (La,Sr)(Cr,Mn)O 3 series. The nonlinear temperature dependence of the Seebeck coefficient is analyzed in terms of a random distribution of energetically equivalent hopping sites. The limitations of Heikes' formula, which has been traditionally used to calculate small polaron carrier densities in these systems, are discussed. Recent theoretical developments in the interpretation of Seebeck measurements in substitutionally-disordered high-temperature hopping conductors are reviewed

  16. Physico-chemical properties and solubility behaviour of multi-substituted hydroxyapatite powders containing silicon

    International Nuclear Information System (INIS)

    Sprio, S.; Tampieri, A.; Landi, E.; Sandri, M.; Martorana, S.; Celotti, G.; Logroscino, G.

    2008-01-01

    Hydroxyapatite powders characterized by ionic substitutions both in anionic and cationic sites were successfully prepared by synthesis in aqueous medium. The process parameters were set up to allow the simultaneous substitution of the foreign ions, namely carbonate, magnesium and silicon in the crystallographic site of calcium and phosphorus, keeping in count the competition which arises between atoms destined to occupy the same crystallographic site. The chemico-physical properties of the powders were investigated through several analytical techniques, i.e. X-ray diffraction, infrared spectroscopy, atomic emission spectroscopy and thermo-gravimetric analysis. The results show that the utilization of sodium hydrogen-carbonate as a reactant allows the entering of carbonate into the HA structure, mainly in phosphate position, while sodium is eliminated during the process of the powder washing. The entering of silicon in the HA structure progressively reduces its crystallinity, as also carbonate ions do. Silicate and carbonate ions can enter simultaneously into the HA structure, in biological-like amounts, although they compete for the occupation of the phosphate site; the powder crystallinity is strongly reduced as the content of the two substituting ions increases, so that a limit molar concentration exists where the apatite structure collapses and an amorphous phase forms with the simultaneous formation of crystalline calcium carbonate. Solubility tests, carried out at physiological conditions, reveal an increased calcium release in the HA powders containing silicon compared to the silicon-free HA; the solubility behaviour of the multi-substituted HA powders at physiological conditions makes these materials promising as bioactive bone scaffold, as they are able to continuously supply ions which are essential for the process of bone reconstruction

  17. Structural and magnetic properties of Gd{sup 3+} ion substituted magnesium ferrite nanopowders

    Energy Technology Data Exchange (ETDEWEB)

    Elkady, Ashraf S. [Department of Physics, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Department of Reactor Physics, NRC, Atomic Energy Authority, Cairo (Egypt); Hussein, Shaban I. [Department of Reactor Physics, NRC, Atomic Energy Authority, Cairo (Egypt); Rashad, Mohamed M., E-mail: rashad133@yahoo.com [Central Metallurgical Research and Development Institute, Helwan, Cairo 11421 (Egypt)

    2015-07-01

    Nanocrystalline MgGd{sub x}Fe{sub 2−x}O{sub 4} powders (where x=0, 0.05, 0.1, 0.2, 0.25, 0.3) have been synthesized by the ethylene diamine tetraacetic acid (EDTA)-based sol–gel combustion method. X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, high resolution transmission electron microscopy (HRTEM) and vibrating sample magnetometer (VSM) were applied in order to study the effect of variation of Gd{sup 3+} ion substitution and its impact on crystal structure, crystallite size, lattice parameters, nanostructure and magnetic properties of the formed powders. XRD indicated that, after doping and calcination at 400 °C for 2 h, all samples have two spinel ferrite structures namely cubic and tetragonal phases, which are dependent on Gd{sup 3+} ion concentration. The cubic phase is found to increase with increasing the Gd{sup 3+} ion molar ratio up to 0.1, compared to pure MgFe{sub 2}O{sub 4} and higher Gd{sup 3+} content samples. Indeed, with increasing Gd{sup 3+} ion, the crystallite size was almost unchanged whereas the lattice parameter was found to increase. FT-IR spectrum showed broadening of the ν{sub 2} band and the presence of another band in the range (465–470 cm{sup −1}) upon adding Gd{sup 3+} ion, which confirm the presence of Gd{sup 3+} ion in addition to Fe{sup 3+} ion at octahedral site. Besides, these bands were assigned to the formation of (Gd{sup 3+}–O{sup 2−}) complexes at B-sites. HRTEM images showed that the studied samples consist of nanocrystallites having average particle sizes around 9 nm for pure MgFe{sub 2}O{sub 4} up to 27 and 42 nm for the Gd{sup 3+} ion substituted MgFe{sub 2}O{sub 4} of molar ratio 0.05 and 0.30, respectively. An examination of the magnetic properties revealed an increase in saturation magnetization with increasing Gd concentration incorporation up to x=0.1, as a result of the change of cubic and tetragonal spinel ratio and lattice parameters. Meanwhile, the formed powders exhibited

  18. Neural Correlates of Sensory Substitution in Vestibular Pathways Following Complete Vestibular Loss

    Science.gov (United States)

    Sadeghi, Soroush G.; Minor, Lloyd B.; Cullen, Kathleen E.

    2012-01-01

    Sensory substitution is the term typically used in reference to sensory prosthetic devices designed to replace input from one defective modality with input from another modality. Such devices allow an alternative encoding of sensory information that is no longer directly provided by the defective modality in a purposeful and goal-directed manner. The behavioral recovery that follows complete vestibular loss is impressive and has long been thought to take advantage of a natural form of sensory substitution in which head motion information is no longer provided by vestibular inputs, but instead by extra-vestibular inputs such as proprioceptive and motor efference copy signals. Here we examined the neuronal correlates of this behavioral recovery after complete vestibular loss in alert behaving monkeys (Macaca mulata). We show for the first time that extra-vestibular inputs substitute for the vestibular inputs to stabilize gaze at the level of single neurons in the VOR premotor circuitry. The summed weighting of neck proprioceptive and efference copy information was sufficient to explain simultaneously observed behavioral improvements in gaze stability. Furthermore, by altering correspondence between intended and actual head movement we revealed a four-fold increase in the weight of neck motor efference copy signals consistent with the enhanced behavioral recovery observed when head movements are voluntary versus unexpected. Thus, taken together our results provide direct evidence that the substitution by extra-vestibular inputs in vestibular pathways provides a neural correlate for the improvements in gaze stability that are observed following the total loss of vestibular inputs. PMID:23077054

  19. Connecting Smartphone and Wearable Fitness Tracker Data with a Nationally Used Electronic Health Record System for Diabetes Education to Facilitate Behavioral Goal Monitoring in Diabetes Care: Protocol for a Pragmatic Multi-Site Randomized Trial.

    Science.gov (United States)

    Wang, Jing; Coleman, Deidra Carroll; Kanter, Justin; Ummer, Brad; Siminerio, Linda

    2018-04-02

    Mobile and wearable technology have been shown to be effective in improving diabetes self-management; however, integrating data from these technologies into clinical diabetes care to facilitate behavioral goal monitoring has not been explored. The objective of this paper is to report on a study protocol for a pragmatic multi-site trial along with the intervention components, including the detailed connected health interface. This interface was developed to integrate patient self-monitoring data collected from a wearable fitness tracker and its companion smartphone app to an electronic health record system for diabetes self-management education and support (DSMES) to facilitate behavioral goal monitoring. A 3-month multi-site pragmatic clinical trial was conducted with eligible patients with diabetes mellitus from DSMES programs. The Chronicle Diabetes system is currently freely available to diabetes educators through American Diabetes Association-recognized DSMES programs to set patient nutrition and physical activity goals. To integrate the goal-setting and self-monitoring intervention into the DSMES process, a connected interface in the Chronicle Diabetes system was developed. With the connected interface, patient self-monitoring information collected from smartphones and wearable fitness trackers can facilitate educators' monitoring of patients' adherence to their goals. Feasibility outcomes of the 3-month trial included hemoglobin A 1c levels, weight, and the usability of the connected system. An interface designed to connect data from a wearable fitness tracker with a companion smartphone app for nutrition and physical activity self-monitoring into a diabetes education electronic health record system was successfully developed to enable diabetes educators to facilitate goal setting and monitoring. A total of 60 eligible patients with type 2 diabetes mellitus were randomized into either group 1) standard diabetes education or 2) standard education enhanced with

  20. No variation and low synonymous substitution rates in coral mtDNA despite high nuclear variation

    Directory of Open Access Journals (Sweden)

    Hellberg Michael E

    2006-03-01

    Full Text Available Abstract Background The mitochondrial DNA (mtDNA of most animals evolves more rapidly than nuclear DNA, and often shows higher levels of intraspecific polymorphism and population subdivision. The mtDNA of anthozoans (corals, sea fans, and their kin, by contrast, appears to evolve slowly. Slow mtDNA evolution has been reported for several anthozoans, however this slow pace has been difficult to put in phylogenetic context without parallel surveys of nuclear variation or calibrated rates of synonymous substitution that could permit quantitative rate comparisons across taxa. Here, I survey variation in the coding region of a mitochondrial gene from a coral species (Balanophyllia elegans known to possess high levels of nuclear gene variation, and estimate synonymous rates of mtDNA substitution by comparison to another coral (Tubastrea coccinea. Results The mtDNA surveyed (630 bp of cytochrome oxidase subunit I was invariant among individuals sampled from 18 populations spanning 3000 km of the range of B. elegans, despite high levels of variation and population subdivision for allozymes over these same populations. The synonymous substitution rate between B. elegans and T. coccinea (0.05%/site/106 years is similar to that in most plants, but 50–100 times lower than rates typical for most animals. In addition, while substitutions to mtDNA in most animals exhibit a strong bias toward transitions, mtDNA from these corals does not. Conclusion Slow rates of mitochondrial nucleotide substitution result in low levels of intraspecific mtDNA variation in corals, even when nuclear loci vary. Slow mtDNA evolution appears to be the basal condition among eukaryotes. mtDNA substitution rates switch from slow to fast abruptly and unidirectionally. This switch may stem from the loss of just one or a few mitochondrion-specific DNA repair or replication genes.

  1. Superfund Sites

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This layer represents active Superfund Sites published by the Environmental Protection Agency (EPA). These data were extracted from the Superfund Enterprise...

  2. Site development

    International Nuclear Information System (INIS)

    Noack, J.

    1975-01-01

    The subject of this paper is a general view over all necessary considerations to develop the site after it has been chosen and before starting with the construction of a nuclear power plant. (orig./RW) [de

  3. Site selection

    International Nuclear Information System (INIS)

    Olsen, C.W.

    1983-07-01

    The conditions and criteria for selecting a site for a nuclear weapons test at the Nevada Test Site are summarized. Factors considered are: (1) scheduling of drill rigs, (2) scheduling of site preparation (dirt work, auger hole, surface casing, cementing), (3) schedule of event (when are drill hole data needed), (4) depth range of proposed W.P., (5) geologic structure (faults, Pz contact, etc.), (6) stratigraphy (alluvium, location of Grouse Canyon Tuff, etc.), (7) material properties (particularly montmorillonite and CO 2 content), (8) water table depth, (9) potential drilling problems (caving), (10) adjacent collapse craters and chimneys, (11) adjacent expended but uncollapsed sites, (12) adjacent post-shot or other small diameter holes, (13) adjacent stockpile emplacement holes, (14) adjacent planned events (including LANL), (15) projected needs of Test Program for various DOB's and operational separations, and (16) optimal use of NTS real estate

  4. Growth, structural and magnetic characterization of Al-substituted barium hexaferrite single crystals

    International Nuclear Information System (INIS)

    Vinnik, D.A.; Zherebtsov, D.A.; Mashkovtseva, L.S.; Nemrava, S.; Bischoff, M.; Perov, N.S.; Semisalova, A.S.; Krivtsov, I.V.; Isaenko, L.I.; Mikhailov, G.G.; Niewa, R.

    2014-01-01

    Highlights: • Growth of large Al-substituted crystals BaFe 12−x Al x O 19. • Al-content controllable by flux composition. • Crystallographic site preference of Al unraveled. • Magnetic characterization depending on Al-content. - Abstract: Large single crystals of aluminum-substituted M-type barium hexaferrite BaFe 12−x Al x O 19 were obtained from carbonate flux. The Al content in the crystals can be controlled via the Al content of the flux up to x = 1.1 according to single crystal X-ray structure refinements. Al shows a distinct preference to substitute Fe on crystallographic sites with high coordination numbers by oxygen atoms, whereas no significant amounts of Al can be found on a tetrahedrally coordinated site. An increasing amount of the aluminum dopant results in a monotonous reduction of the Curie temperature from 440 to 415 °C and the saturation magnetization at room temperature from 68 to 57 emu/g for single crystal and from 61 to 53 emu/g for powder samples

  5. Synthesis and magnetic properties of LiFePO4 substitution magnesium

    Science.gov (United States)

    Choi, Hyunkyung; Kim, Min Ji; Hahn, Eun Joo; Kim, Sam Jin; Kim, Chul Sung

    2017-06-01

    LiFe0.9Mg0.1PO4 sample was prepared by using a solid-state reaction method, and the temperature-dependent magnetic properties of the sample were studied. The X-ray diffraction (XRD) pattern showed an olivine-type orthorhombic structure with space group Pnma based on Rietveld refinement method. The effect of Mg substitution in antiferromagnetic LiFe0.9Mg0.1PO4 was investigated using a vibrating sample magnetometer (VSM) and Mössbauer spectroscopy. The temperature-dependence of the magnetization curves of LiFe0.9Mg0.1PO4 shows abnormal antiferromagnetic behavior with ordering temperature. Sudden changes in both the magnetic hyperfine field (Hhf) and its slope below 15 K suggest that magnetic phase transition associated to the abrupt occurrence of spin-reorientation. The Néel temperature (TN) and spin-reorientation temperature (TS) of LiFe0.9Mg0.1PO4 are lower than those of pure LiFePO4 (TN = 51 K, TS = 23 K). This is due to the Fe-O-Fe superexchange interaction being larger than that of the Fe-O-Mg link. Also, we have confirmed a change in the electric quadrupole splitting (ΔEQ) by the spin-orbit coupling effect and the shape of Mössbauer spectrum has provided the evidence for TS and a strong crystalline field. We have found that Mg ions in LiFe0.9Mg0.1PO4 induce an asymmetric charge density due to the presence of Mg2+ ions at the FeO6 octahedral sites.

  6. Who Let the CAT Out of the Bag? Accurately Dealing with Substitutional Heterogeneity in Phylogenomic Analyses.

    Science.gov (United States)

    Whelan, Nathan V; Halanych, Kenneth M

    2017-03-01

    As phylogenetic datasets have increased in size, site-heterogeneous substitution models such as CAT-F81 and CAT-GTR have been advocated in favor of other models because they purportedly suppress long-branch attraction (LBA). These models are two of the most commonly used models in phylogenomics, and they have been applied to a variety of taxa, ranging from Drosophila to land plants. However, many arguments in favor of CAT models have been based on tenuous assumptions about the true phylogeny, rather than rigorous testing with known trees via simulation. Moreover, CAT models have not been compared to other approaches for handling substitutional heterogeneity such as data partitioning with site-homogeneous substitution models. We simulated amino acid sequence datasets with substitutional heterogeneity on a variety of tree shapes including those susceptible to LBA. Data were analyzed with both CAT models and partitioning to explore model performance; in total over 670,000 CPU hours were used, of which over 97% was spent running analyses with CAT models. In many cases, all models recovered branching patterns that were identical to the known tree. However, CAT-F81 consistently performed worse than other models in inferring the correct branching patterns, and both CAT models often overestimated substitutional heterogeneity. Additionally, reanalysis of two empirical metazoan datasets supports the notion that CAT-F81 tends to recover less accurate trees than data partitioning and CAT-GTR. Given these results, we conclude that partitioning and CAT-GTR perform similarly in recovering accurate branching patterns. However, computation time can be orders of magnitude less for data partitioning, with commonly used implementations of CAT-GTR often failing to reach completion in a reasonable time frame (i.e., for Bayesian analyses to converge). Practices such as removing constant sites and parsimony uninformative characters, or using CAT-F81 when CAT-GTR is deemed too

  7. Enhancement in magnetic and dielectric properties of La and Pr co substituted BiFeO3

    International Nuclear Information System (INIS)

    Srivastava, Amit; Singh, H.K.; Awana, V.P.S.; Srivastava, O.N.

    2013-01-01

    Highlights: ► Significant enhancement in magnetization of BiFeO 3 is found on La and Pr co substitution. ► It is correlated with structural phase transformation and nanosized crystallites. ► Dielectric losses strongly diminish with La and Pr co substitution. -- Abstract: This report underlines the systematic studies of crystalline structure, magnetic and ferroelectric properties of polycrystalline Bi 1−x−y La x Pr y FeO 3 ceramic samples, in which x changes continuously from 0 to 0.2 for y = 0 and y from 0 to 0.2 for x = 0.2. X-ray diffraction (XRD) patterns revealed that La and Pr substitution at Bi site in the ceramic eliminates the usual impurity phases completely. Rietveld refinement of the XRD patterns shows that the crystal structure changes gradually from Rhombohedral (R3c) to Orthorhombic (pbnm) with increasing La and Pr concentration. This transition has significant effects on the multiferroic properties of Bi 1−x−y La x Pr y FeO 3 ceramics. Substantial enhancement in magnetization of Bi 1−x−y La x Pr y FeO 3 has been observed and this is found to be correlated with the evolution of structural phase change with doping of Pr in samples having lanthanum concentration of x = 0.2. This leads to the suppression of helical spin order. However, the enhancement in magnetic behavior also takes place due to nanocrystallite nature of Bi 1−x−y La x Pr y FeO 3 (x = 0.2, y = 0.05–0.2). For the nanocrystallites having sizes lower than 62 nm, which is the period of spin cycloid, this spin configuration will get destroyed resulting in the enhancement of magnetization. The studies of microstructures employing SEM and TEM revealed that Bi 1−x−y La x Pr y FeO 3 consists of nano size grained microstructures. It is also found that dielectric constant and dielectric loss get improved by La and Pr co-substitution. The dielectric constant for x = 0.0, y = 0.0 is 81 which changes to 354 for x = 0.2, y = 0.15 at 100 Hz. Dielectric losses are strongly

  8. Thermodynamic screening of metal-substituted MOFs for carbon capture.

    Science.gov (United States)

    Koh, Hyun Seung; Rana, Malay Kumar; Hwang, Jinhyung; Siegel, Donald J

    2013-04-07

    Metal-organic frameworks (MOFs) have emerged as promising materials for carbon capture applications due to their high CO2 capacities and tunable properties. Amongst the many possible MOFs, metal-substituted compounds based on M-DOBDC and M-HKUST-1 have demonstrated amongst the highest CO2 capacities at the low pressures typical of flue gasses. Here we explore the possibility for additional performance tuning of these compounds by computationally screening 36 metal-substituted variants (M = Be, Mg, Ca, Sr, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Mo, W, Sn, and Pb) with respect to their CO2 adsorption enthalpy, ΔH(T=300K). Supercell calculations based on van der Waals density functional theory (vdW-DF) yield enthalpies in good agreement with experimental measurements, out-performing semi-empirical (DFT-D2) and conventional (LDA & GGA) functionals. Our screening identifies 13 compounds having ΔH values within the targeted thermodynamic window -40 ≤ ΔH ≤ -75 kJ mol(-1): 8 are based on M-DODBC (M = Mg, Ca, Sr, Sc, Ti, V, Mo, and W), and 5 on M-HKUST-1 (M = Be, Mg, Ca, Sr and Sc). Variations in the electronic structure and the geometry of the structural building unit are examined and used to rationalize trends in CO2 affinity. In particular, the partial charge on the coordinatively unsaturated metal sites is found to correlate with ΔH, suggesting that this property may be used as a simple performance descriptor. The ability to rapidly distinguish promising MOFs from those that are "thermodynamic dead-ends" will be helpful in guiding synthesis efforts towards promising compounds.

  9. On the effect of heterovalent substitutions in ruthenocuprates

    Energy Technology Data Exchange (ETDEWEB)

    Klamut, P.W.; Dabrowski, B.; Mini, S.M.; Maxwell, M.; Mais, J.; Felner, I.; Asaf, U.; Ritter, F.; Shengelaya, A.; Khasanov, R.; Savic, I.M.; Keller, H.; Wisniewski, A.; Puzniak, R.; Fita, I.M.; Sulkowski, C.; Matusiak, M

    2003-05-01

    We discuss the properties of superconducting derivatives of the RuSr{sub 2}GdCu{sub 2}O{sub 8} (1212-type) ruthenocuprate, for which heterovalent doping has been achieved through partial substitution of Cu ions into the RuO{sub 2} planes (Ru{sub 1-x}Sr{sub 2}GdCu{sub 2+x}O{sub 8-{delta}}, 0{<=}x{<=}0.75, T{sub c}{sup max}=72 K for x=0.3-0.4) and Ce ions into the Gd sites (RuSr{sub 2}Gd{sub 1-y}Ce{sub y}Cu{sub 2}O{sub 8}, 0{<=}y{<=}0.1). The measurements of XANES, thermopower, and magnetization under external pressure reveal an underdoped character of all compounds. Muon spin rotation experiments indicate the presence of magnetic order at low temperatures (T{sub m}=14-2 K for x=0.1-0.4). Properties of these two series lead us to the qualitative phase diagram for differently doped 1212-type ruthenocuprates. The difference in temperature of magnetic ordering found for superconducting and non-superconducting RuSr{sub 2}GdCu{sub 2}O{sub 8} is discussed in the context of the properties of substituted compounds. The high pressure oxygen conditions required for synthesis of Ru{sub 1-x}Sr{sub 2}RECu{sub 2+x}O{sub 8-{delta}}, have been extended to synthesis of a Ru{sub 1-x}Sr{sub 2}Eu{sub 2-y}Ce{sub y}Cu{sub 2+x}O{sub 10-{delta}} series. The Cu {yields} Ru doping achieved in these phases is found to decrease the temperature for magnetic ordering as well the volume fraction of the magnetic phase.

  10. Substitution effects in a generalized token economy with pigeons.

    Science.gov (United States)

    Andrade, Leonardo F; Hackenberg, Timothy D

    2017-01-01

    Pigeons made repeated choices between earning and exchanging reinforcer-specific tokens (green tokens exchangeable for food, red tokens exchangeable for water) and reinforcer-general tokens (white tokens exchangeable for food or water) in a closed token economy. Food and green food tokens could be earned on one panel; water and red water tokens could be earned on a second panel; white generalized tokens could be earned on either panel. Responses on one key produced tokens according to a fixed-ratio schedule, whereas responses on a second key produced exchange periods, during which all previously earned tokens could be exchanged for the appropriate commodity. Most conditions were conducted in a closed economy, and pigeons distributed their token allocation in ways that permitted food and water consumption. When the price of all tokens was equal and low, most pigeons preferred the generalized tokens. When token-production prices were manipulated, pigeons reduced production of the tokens that increased in price while increasing production of the generalized tokens that remained at a fixed price. The latter is consistent with a substitution effect: Generalized tokens increased and were exchanged for the more expensive reinforcer. When food and water were made freely available outside the session, token production and exchange was sharply reduced but was not eliminated, even in conditions when it no longer produced tokens. The results join with other recent data in showing sustained generalized functions of token reinforcers, and demonstrate the utility of token-economic methods for assessing demand for and substitution among multiple commodities in a laboratory context. © 2016 Society for the Experimental Analysis of Behavior.

  11. Substituted-Letter and Transposed-Letter Effects in a Masked Priming Paradigm with French Developing Readers and Dyslexics

    Science.gov (United States)

    Lete, Bernard; Fayol, Michel

    2013-01-01

    The aim of the study was to undertake a behavioral investigation of the development of automatic orthographic processing during reading acquisition in French. Following Castles and colleagues' 2007 study ("Journal of Experimental Child Psychology, 97," 165-182) and their lexical tuning hypothesis framework, substituted-letter and…

  12. Annonaceae substitution rates: a codon model perspective

    Directory of Open Access Journals (Sweden)

    Lars Willem Chatrou

    2014-01-01

    Full Text Available The Annonaceae includes cultivated species of economic interest and represents an important source of information for better understanding the evolution of tropical rainforests. In phylogenetic analyses of DNA sequence data that are used to address evolutionary questions, it is imperative to use appropriate statistical models. Annonaceae are cases in point: Two sister clades, the subfamilies Annonoideae and Malmeoideae, contain the majority of Annonaceae species diversity. The Annonoideae generally show a greater degree of sequence divergence compared to the Malmeoideae, resulting in stark differences in branch lengths in phylogenetic trees. Uncertainty in how to interpret and analyse these differences has led to inconsistent results when estimating the ages of clades in Annonaceae using molecular dating techniques. We ask whether these differences may be attributed to inappropriate modelling assumptions in the phylogenetic analyses. Specifically, we test for (clade-specific differences in rates of non-synonymous and synonymous substitutions. A high ratio of nonsynonymous to synonymous substitutions may lead to similarity of DNA sequences due to convergence instead of common ancestry, and as a result confound phylogenetic analyses. We use a dataset of three chloroplast genes (rbcL, matK, ndhF for 129 species representative of the family. We find that differences in branch lengths between major clades are not attributable to different rates of non-synonymous and synonymous substitutions. The differences in evolutionary rate between the major clades of Annonaceae pose a challenge for current molecular dating techniques that should be seen as a warning for the interpretation of such results in other organisms.

  13. Alkylation of N-substituted 2-phenylacetamides

    Directory of Open Access Journals (Sweden)

    SLOBODAN D. PETROVIC

    2004-10-01

    Full Text Available Various N-substituted phenylacetamides were alkylated using different alkylating agents under neutral and basic conditions. Reactions were performed at different reaction temperatures and in various solvents. Also, a number of various catalysts were used including phase-transfer catalysts. Reactions were followed using GC or GC-MS technique and the presence as well as the yields of the alkylation products were established. Generally, the best yield and high selectivity in the studied reactions were achieved under basic conditions where in the certain cases some products, mostly N-product, were obtained solely in quantitative yields.

  14. Ab initio calculations for the substitutions of Al(OH)4- and SO42- with Si tetrahedra

    International Nuclear Information System (INIS)

    Rahman, Md.Mazibur; Tanaka, Satoru; Nagasaki, Shinya

    2001-01-01

    We have studied the interaction phenomena for the substitutions of Al(OH) 4 - and SO 4 2- with both paired and bridging Si tetrahedra likely to be occurred in C-S-H gel coexisting with ettringite system. Gaussian 94 program has been used to obtain the total energy of the molecule in the optimized structure employing HF/3-21G level of theory. It has been investigated that the net charge on the substitution site causes the modification of the original structure during the substitution. The substitutions of Al(OH) 4 - with Si tetrahedra were found to be thermodynamically possible in both paired and bridging Si tetrahedra at chemical equilibrium. The substitutions of SO 4 2- with Si tetrahedra were found to be thermodynamically possible at the limited positions as well. It this work, these possibilities are also discussed with the estimated activated energies for the substitutions of Al(OH) 4 - and SO 4 2- with paired Si tetrahedra. (author)

  15. Site development

    International Nuclear Information System (INIS)

    Gaynor, R.K.

    1989-01-01

    Development of a low-level radioactive waste land disposal facility is little different than any industrial development of similar scope. Consideration must be made for normal business and operations management, security, facility maintenance, traffic control and necessary amenities for personnel. The item specific to the low-level waste site is the handling of radioactive waste materials and the regulatory and environmental protection procedures that must be planned for and accomodated in the site design and development. Each of these elements and the facility as a whole must be designed to be compatible with local land use plans, available transportation and support services, and the social and economic goals of the local community. Plans should also be made for quality control and orderly construction. This chapter deals with those aspects of the facility, its design and construction which are integral parts to the overall performance of the site

  16. Variation in heterozygosity predicts variation in human substitution rates between populations, individuals and genomic regions.

    Directory of Open Access Journals (Sweden)

    William Amos

    Full Text Available The "heterozygote instability" (HI hypothesis suggests that gene conversion events focused on heterozygous sites during meiosis locally increase the mutation rate, but this hypothesis remains largely untested. As humans left Africa they lost variability, which, if HI operates, should have reduced the mutation rate in non-Africans. Relative substitution rates were quantified in diverse humans using aligned whole genome sequences from the 1,000 genomes project. Substitution rate is consistently greater in Africans than in non-Africans, but only in diploid regions of the genome, consistent with a role for heterozygosity. Analysing the same data partitioned into a series of non-overlapping 2 Mb windows reveals a strong, non-linear correlation between the amount of heterozygosity lost "out of Africa" and the difference in substitution rate between Africans and non-Africans. Putative recent mutations, derived variants that occur only once among the 80 human chromosomes sampled, occur preferentially at the centre of 2 Kb windows that have elevated heterozygosity compared both with the same region in a closely related population and with an immediately adjacent region in the same population. More than half of all substitutions appear attributable to variation in heterozygosity. This observation provides strong support for HI with implications for many branches of evolutionary biology.

  17. Hydrogen-assisted post-growth substitution of tellurium into molybdenum disulfide monolayers with tunable compositions

    Science.gov (United States)

    Yin, Guoli; Zhu, Dancheng; Lv, Danhui; Hashemi, Arsalan; Fei, Zhen; Lin, Fang; Krasheninnikov, Arkady V.; Zhang, Ze; Komsa, Hannu-Pekka; Jin, Chuanhong

    2018-04-01

    Herein we report the successful doping of tellurium (Te) into molybdenum disulfide (MoS2) monolayers to form MoS2x Te2(1-x) alloy with variable compositions via a hydrogen-assisted post-growth chemical vapor deposition process. It is confirmed that H2 plays an indispensable role in the Te substitution into as-grown MoS2 monolayers. Atomic-resolution transmission electron microscopy allows us to determine the lattice sites and the concentration of introduced Te atoms. At a relatively low concentration, tellurium is only substituted in the sulfur sublattice to form monolayer MoS2(1-x)Te2x alloy, while with increasing Te concentration (up to ˜27.6% achieved in this study), local regions with enriched tellurium, large structural distortions, and obvious sulfur deficiency are observed. Statistical analysis of the Te distribution indicates the random substitution. Density functional theory calculations are used to investigate the stability of the alloy structures and their electronic properties. Comparison with experimental results indicate that the samples are unstrained and the Te atoms are predominantly substituted in the top S sublattice. Importantly, such ultimately thin Janus structure of MoS2(1-x)Te2x exhibits properties that are distinct from their constituents. We believe our results will inspire further exploration of the versatile properties of asymmetric 2D TMD alloys.

  18. Orbital-selective Mott phase of Cu-substituted iron-based superconductors

    International Nuclear Information System (INIS)

    Liu, Yang; Zhao, Yang-Yang; Song, Yun

    2016-01-01

    We study the phase transition in Cu-substituted iron-based superconductors with a new developed real-space Green’s function method. We find that Cu substitution has strong effect on the orbital-selective Mott transition introduced by the Hund’s rule coupling. The redistribution of the orbital occupancy which is caused by the increase of the Hund’s rule coupling, gives rise to the Mott–Hubbard metal-insulator transition in the half-filled d xy orbital. We also find that more and more electronic states appear inside that Mott gap of the d xy orbital with the increase of Cu substitution, and the in-gap states around the Fermi level are strongly localized at some specific lattice sites. Further, a distinctive phase diagram, obtained for the Cu-substituted Fe-based superconductors, displays an orbital-selective insulating phase, as a result of the cooperative effect of the Hund’s rule coupling and the impurity-induced disorder. (paper)

  19. Mutation-selection models of codon substitution and their use to estimate selective strengths on codon usage

    DEFF Research Database (Denmark)

    Yang, Ziheng; Nielsen, Rasmus

    2008-01-01

    Current models of codon substitution are formulated at the levels of nucleotide substitution and do not explicitly consider the separate effects of mutation and selection. They are thus incapable of inferring whether mutation or selection is responsible for evolution at silent sites. Here we impl...... codon usage in mammals. Estimates of selection coefficients nevertheless suggest that selection on codon usage is weak and most mutations are nearly neutral. The sensitivity of the analysis on the assumed mutation model is discussed.......Current models of codon substitution are formulated at the levels of nucleotide substitution and do not explicitly consider the separate effects of mutation and selection. They are thus incapable of inferring whether mutation or selection is responsible for evolution at silent sites. Here we...... implement a few population genetics models of codon substitution that explicitly consider mutation bias and natural selection at the DNA level. Selection on codon usage is modeled by introducing codon-fitness parameters, which together with mutation-bias parameters, predict optimal codon frequencies...

  20. Magnesium substitution in carbonated hydroxyapatite: Structural and microstructural characterization by Rietveld's refinement

    Energy Technology Data Exchange (ETDEWEB)

    Lala, S. [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan 713104, West Bengal (India); Ghosh, M.; Das, P.K. [Department of Biological Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032 (India); Das, D. [UGC-DAE Consortium for Scientific Research, Kolkata 700098 (India); Kar, T. [Department of Materials Science, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032 (India); Pradhan, S.K., E-mail: skpradhan@phys.buruniv.ac.in [Materials Science Division, Department of Physics, The University of Burdwan, Golapbag, Burdwan 713104, West Bengal (India)

    2016-02-15

    Four stoichiometric compositions of nanocrystalline Mg doped carbonated hydroxyapatite (cHAp) powders are synthesized by mechanical alloying (ball milling) the powder mixtures of CaCO{sub 3}, CaHPO{sub 4}.2H{sub 2}O and MgO in open air at room temperature. FTIR analysis confirms the A-type carbonation in all milled HAp powder samples (A-cHAp). Microstructure characterization in terms of lattice imperfections and phase quantification of ball milled samples are made by analyzing XRD patterns employing Rietveld's structure refinement method. Transmission electron microscopy (TEM) study of 15 mol % Mg doped A-cHAp sample reveals microstructure similar to that obtained from XRD pattern analysis. Cumulative effect of Mg substitution and mechanical alloying results in amorphization of a major part of crystalline A-cHAp, analogous to native bone mineral. Rietveld analysis reveals that the Ca2 vacancy site is energetically more favorable for occupation of Mg substitution. MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] assay test reveals sufficiently high percentage cell viability confirming the cytocompatibility of the sample. - Graphical abstract: Mg substitution for Ca2 site. - Highlights: • Single phase Mg doped A-cHAp synthesized by mechanical alloying (MA). • FTIR analysis confirms A-type carbonation in HAp. • Amorphization of a part of crystalline A-cHAp due to MA and Mg insertion. • Mg{sup 2+} ions substitute the Ca2 vacancy site. • High cell viability under MTT assay.