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Sample records for axial ligand effects

  1. Trans and cis effects of axial fluoroalkyl ligands in vitamin B12 analogues: relationship between alkyl- and fluoroalkyl-cobalamins.

    Science.gov (United States)

    Randaccio, Lucio; Brancatelli, Giovanna; Demitri, Nicola; Dreos, Renata; Hickey, Neal; Siega, Patrizia; Geremia, Silvano

    2013-12-02

    CF2HCbl, CF3Cbl , and CF3CH2Cbl have been synthesized and characterized in solution by (1)H NMR and UV-vis spectroscopy, and their X-ray crystal structures have been determined using synchrotron radiation. The structure of CF3CH2Cbl is reported for the first time, whereas those of CF2HCbl and CF3Cbl are re-examined to obtain more precise structural data. Comparison of the structural data obtained with the alkylcobalamin analogues, MeCbl and EtCbl, indicates that the Co-C and Co-NB3 bond lengths are shorter in the fluoroalkylcobalamins. The structural data of the fluoroalkylcobalamins previously reported in the literature had been conflicting in this regard. Thus, a much less dramatic shortening of the two axial bonds was found for CF3Cbl, whereas in the case of CF2HCbl, the Co-NB3 bond length is shorter than in MeCbl. Direct comparison of the structures of CF3CH2Cbl and EtCbl indicates a large distortion of the axial fragment in the former case that can be attributed to steric effects. A number of previously reported correlations of the effect of the β-ligand on the structure and properties of cobalamins are re-examined in light of the present results. Particular emphasis is placed on the axial fragment. This analysis substantially confirms and, with the new data reported here, adjusts and expands the data set for correlations between trans and cis influences of the β-ligand of cobalamins and their structure (Co-X and Co-NB3 distances and corrin fold angle) and properties (UV-vis spectra, NMR spectra, and pK(base-off)).

  2. Study of axial magnetic effect

    Energy Technology Data Exchange (ETDEWEB)

    Braguta, Victor [IHEP, Protvino, Moscow region, 142284 Russia ITEP, B. Cheremushkinskaya street 25, Moscow, 117218 (Russian Federation); School of Biomedicine, Far Eastern Federal University, Ajax 10 Building 25, Russian island, Vladivostok, 690922 (Russian Federation); Chernodub, M. N. [CNRS, Laboratoire de Mathématiques et Physique Théorique, Université François-Rabelais Tours, Fédération Denis Poisson, Parc de Grandmont, 37200 Tours, France Department of Physics and Astronomy, University of Gent, Krijgslaan 281, S9, B-9000 Gent (Belgium); School of Biomedicine, Far Eastern Federal University, Ajax 10 Building 25, Russian island, Vladivostok, 690922 (Russian Federation); Goy, V. A. [School of Natural Sciences, Far Eastern Federal University, Sukhanova street 8, Vladivostok, 690950 (Russian Federation); Landsteiner, K. [Instituto de Física Teórica UAM/CSIC, C/ Nicolás Cabrera 13-15, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Molochkov, A. V. [School of Biomedicine, Far Eastern Federal University, Ajax 10 Building 25, Russian island, Vladivostok, 690922 (Russian Federation); Ulybyshev, M. [ITEP, B. Cheremushkinskaya street 25, Moscow, 117218 Russia Institute for Theoretical Problems of Microphysics, Moscow State University, Moscow, 119899 (Russian Federation)

    2016-01-22

    The Axial Magnetic Effect manifests itself as an equilibrium energy flow of massless fermions induced by the axial (chiral) magnetic field. Here we study the Axial Magnetic Effect in the quenched SU(2) lattice gauge theory with massless overlap fermions at finite temperature. We numerically observe that in the low-temperature hadron phase the effect is absent due to the quark confinement. In the high-temperature deconfinement phase the energy flow is an increasing function of the temperature which reaches the predicted asymptotic T{sup 2} behavior at high temperatures. We find, however, that energy flow is about one order of magnitude lower compared to a theoretical prediction.

  3. Effects of axial coordination on immobilized Mn(salen) catalysts.

    Science.gov (United States)

    Teixeira, Filipe; Mosquera, Ricardo A; Melo, André; Freire, Cristina; Cordeiro, M Natália D S

    2014-11-13

    The consequences of anchoring Mn(salen) catalysts onto a supporting material using one of the vacant positions of the metal center are tackled by studying several Mn(salen) complexes with different axial ligands attached. This is accomplished using Density Functional Theory at the X3LYP/Triple-ζ level of theory and the Atom In Molecules formalism. The results suggest that both Mn(salen) complexes and their oxo derivatives should lie in a triplet ground state. Also, the choice of the axial ligand bears a moderate effect on the energy involved in the oxidation of the former to oxo-Mn(salen) complexes, as well as in the stability of such complexes toward ligand removal by HCl. AIM analysis further suggests that the salen ligand acts as a "charge reservoir" for the metal center, with strong correlations being obtained between the charge of salen and the electron population donated by the axial ligand to the metal center. Moreover, the results suggest that the Mn atom in Mn(salen) complexes holds different hybridization of its valence orbitals depending on the type of axial ligand present in the system.

  4. The met axial ligand determines the redox potential in Cu-A sites

    DEFF Research Database (Denmark)

    Ledesma, G.N.; Murgida, D.H.; Ly, H.K.

    2007-01-01

    The replacement of the axial methionine ligand in a native Cu-A protein rendered a series of stable mutants with spectroscopic features of a mixed valence center. The mutations resulted in minor perturbations of the electronic structure of this site but led to significant changes in the redox pot...

  5. Mutual control of axial and equatorial ligands: model studies with [Ni]-bacteriochlorophyll-a.

    Science.gov (United States)

    Yerushalmi, Roie; Noy, Dror; Baldridge, Kim K; Scherz, Avigdor

    2002-07-17

    Modification of the metal's electronic environment by ligand association and dissociation in metalloenzymes is considered cardinal to their catalytic activity. We have recently presented a novel system that utilizes the bacteriochlorophyll (BChl) macrocycle as a ligand and reporter. This system allows for charge mobilization in the equatorial plane and experimental estimate of changes in the electronic charge density around the metal with no modification of the metal's chemical environment. The unique spectroscopy, electrochemistry and coordination chemistry of [Ni]-bacteriochlorophyll ([Ni]-BChl) enable us to follow directly fine details and steps involved in the function of the metal redox center. This approach is utilized here whereby electro-chemical reduction of [Ni]-BChl to the monoanion [Ni]-BChl(-) results in reversible dissociation of biologically relevant axial ligands. Similar ligand dissociation was previously detected upon photoexcitation of [Ni]-BChl (Musewald, C.; Hartwich, G.; Lossau, H.; Gilch, P.; Pollinger-Dammer, F.; Scheer, H.; Michel-Beyerle, M. E. J. Phys. Chem. B 1999, 103, 7055-7060 and Noy, D.; Yerushalmi, R.; Brumfeld, V.; Ashur, I.; Baldridge, K. K.; Scheer, H.; Scherz, A. J. Am. Chem. Soc. 2000, 122, 3937-3944). The electrochemical measurements and quantum mechanical (QM) calculations performed here for the neutral, singly reduced, monoligated, and singly reduced, monoligated [Ni]-BChl suggest the following: (a) Electroreduction, although resulting in a pi anion [Ni]-BChl(-) radical, causes electron density migration to the [Ni]-BChl core. (b) Reduction of nonligated [Ni]-BChl does not change the macrocycle conformation, whereas axial ligation results in a dramatic expansion of the metal core and a flattening of the highly ruffled macrocycle conformation. (c) In both the monoanion and singly excited [Ni]-BChl ([Ni]-BChl*), the frontier singly occupied molecular orbital (SOMO) has a small but nonnegligible metal character. Finally, (d

  6. A terminal fluoride ligand generates axial magnetic anisotropy in dysprosium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Norel, Lucie [Department of Chemistry, University of California, Berkeley, CA (United States); Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, Rennes (France); Darago, Lucy E.; Chakarawet, Khetpakorn; Gonzalez, Miguel I.; Olshansky, Jacob H.; Long, Jeffrey R. [Department of Chemistry, University of California, Berkeley, CA (United States); Le Guennic, Boris; Rigaut, Stephane [Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes) - UMR 6226, Rennes (France)

    2018-02-12

    The first dysprosium complexes with a terminal fluoride ligand are obtained as air-stable compounds. The strong, highly electrostatic dysprosium-fluoride bond generates a large axial crystal-field splitting of the J=15/2 ground state, as evidenced by high-resolution luminescence spectroscopy and correlated with the single-molecule magnet behavior through experimental magnetic susceptibility data and ab initio calculations. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Influence of axial and peripheral ligands on the electronic structure of titanium phthalocyanines

    DEFF Research Database (Denmark)

    Pickup, David F.; García Lastra, Juan Maria; Rogero, Celia

    2013-01-01

    core-level binding energy was observed in the bidentate complex and compared to a calculated core-level stabilization. DFT predicts a change of the LUMO from the inner phthalocyanine ring to the Ti dxy orbital and a reversal of the high-lying dx2-y2 and d z2 orbitals. The N 1s edge was calculated using......-ray absorption spectroscopy and photoelectron spectroscopy were combined with density functional theory (DFT) and crystal-field multiplet calculations to characterize the Ti 3d and N 2p valence electrons that form the frontier orbitals. When a monodentate oxo axial ligand was replaced by a bidentate catechol...... ligand, the multiplet structure of the Ti 2p-to-3d transitions was found to change systematically. The most noticeable change was an additional transition into the low-lying 3dxy level, which is attributed to a reduction in local symmetry from 4-fold to 2-fold at the Ti center. An increase of the Ti 2p...

  8. Strong Impact of an Axial Ligand on the Absorption by Chlorophyll a and b Pigments Determined by Gas-Phase Ion Spectroscopy Experiments

    DEFF Research Database (Denmark)

    Kjaer, Christina; Stockett, Mark H.; Pedersen, Bjarke Møller

    2016-01-01

    The microenvironments in photosynthetic proteins affect the absorption by chlorophyll (Chl) pigments. It is, however, a challenge to disentangle the impact on the transition energies of different perturbations, for example, the global electrostatics of the protein (nonbonded environmental effects......), exciton coupling between Chl's, conformational variations, and binding of an axial ligand to the magnesium center. This is needed to distinguish between the two most commonly proposed mechanisms for energy transport in photosynthetic proteins, relying on either weakly or strongly coupled pigments. Here...

  9. Development of Ar-BINMOL-Derived Atropisomeric Ligands with Matched Axial and sp(3) Central Chirality for Catalytic Asymmetric Transformations.

    Science.gov (United States)

    Xu, Zheng; Xu, Li-Wen

    2015-10-01

    Recently, academic chemists have renewed their interest in the development of 1,1'-binaphthalene-2,2'-diol (BINOL)-derived chiral ligands. Six years ago, a working hypothesis, that the chirality matching of hybrid chirality on a ligand could probably lead to high levels of stereoselective induction, prompted us to use the axial chirality of BINOL derivatives to generate new stereogenic centers within the same molecule with high stereoselectivity, obtaining as a result sterically favorable ligands for applications in asymmetric catalysis. This Personal Account describes our laboratory's efforts toward the development of a novel class of BINOL-derived atropisomers bearing both axial and sp(3) central chirality, the so-called Ar-BINMOLs, for asymmetric synthesis. Furthermore, on the basis of the successful application of Ar-BINMOLs and their derivatives in asymmetric catalysis, the search for highly efficient and enantioselective processes also compelled us to give special attention to the BINOL-derived multifunctional ligands with multiple stereogenic centers for use in catalytic asymmetric reactions. Copyright © 2015 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Significant Enhancement of the Chiral Correlation Length in Nematic Liquid Crystals by Gold Nanoparticle Surfaces Featuring Axially Chiral Binaphthyl Ligands.

    Science.gov (United States)

    Mori, Taizo; Sharma, Anshul; Hegmann, Torsten

    2016-01-26

    Chirality is a fundamental scientific concept best described by the absence of mirror symmetry and the inability to superimpose an object onto its mirror image by translation and rotation. Chirality is expressed at almost all molecular levels, from single molecules to supramolecular systems, and present virtually everywhere in nature. Here, to explore how chirality propagates from a chiral nanoscale surface, we study gold nanoparticles functionalized with axially chiral binaphthyl molecules. In particular, we synthesized three enantiomeric pairs of chiral ligand-capped gold nanoparticles differing in size, curvature, and ligand density to tune the chirality transfer from nanoscale solid surfaces to a bulk anisotropic liquid crystal medium. Ultimately, we are examining how far the chirality from a nanoparticle surface reaches into a bulk material. Circular dichroism spectra of the gold nanoparticles decorated with binaphthyl thiols confirmed that the binaphthyl moieties form a cisoid conformation in isotropic organic solvents. In the chiral nematic liquid crystal phase, induced by dispersing the gold nanoparticles into an achiral anisotropic nematic liquid crystal solvent, the binaphthyl moieties on the nanoparticle surface form a transoid conformation as determined by imaging the helical twist direction of the induced cholesteric phase. This suggests that the ligand density on the nanoscale metal surfaces provides a dynamic space to alter and adjust the helicity of binaphthyl derivatives in response to the ordering of the surrounding medium. The helical pitch values of the induced chiral nematic phase were determined, and the helical twisting power (HTP) of the chiral gold nanoparticles calculated to elucidate the chirality transfer efficiency of the binaphthyl ligand capped gold nanoparticles. Remarkably, the HTP increases with increasing diameter of the particles, that is, the efficiency of the chirality transfer of the binaphthyl units bound to the nanoparticle

  11. Synthesis of Ruthenium(III Phthalocyanine with Di-axial Bromo Ligands - A Promising Molecular Conductor with Giant Negative Magnetoresistance

    Directory of Open Access Journals (Sweden)

    Mario A.V. Gamboa

    2015-01-01

    Full Text Available The electron transport of Phthalocyanines (Pc with central metal and di-axial ligands (such as FeIII(PcL2; where L = CN, Cl, Br originates from its intermolecular Pc π-π orbital overlap while its giant negative magnetoresistance (GNMR arises from its intramolecular Pc-π(HOMO and Fe-d (s=1/2 interaction. However, the π-d interaction tends to localize itinerant electrons resulting in the decrease in the conductivity of the FeIII(PcL2 series compared to the non-magnetic CoIII(PcL2 where π-d interaction is absent. More so, the axial ligand field energy of the FeIII(PcL2 system is found to have the ability to proportionally modulate the π-d interaction. In reference thereof, theoretical calculations point that isostructural RuIII(PcBr2 would provide the best balance of π-d orbital energy interplay. That is, RuIII(PcBr2 is expected to be a molecule with high electrical conductivity and GNMR which would make it an ideal magnetic molecular conductor. This paper reports on the synthesis of RuIII(PcBr2.

  12. Effect of axial heat flux distribution on CHF

    Energy Technology Data Exchange (ETDEWEB)

    Park, Cheol

    2000-10-01

    Previous investigations for the effect of axial heat flux distributions on CHF and the prediction methods are reviewed and summarized. A total of 856 CHF data in a tube with a non-uniform axial heat flux distribution has been compiled from the articles and analyzed using the 1995 Groeneveld look-up table. The results showed that two representative correction factors, K5 of the look-up table and Tongs F factor, can be applied to describe the axial heat flux distribution effect on CHF. However, they overpredict slightly the measured CHF, depending on the quality and flux peak shape. Hence, a corrected K5 factor, which accounts for the axial heat flux distribution effect is suggested to correct these trends. It predicted the CHF power for the compiled data with an average error of 1.5% and a standard deviation of 10.3%, and also provides a reasonable prediction of CHF locations.

  13. Synthesis of axially chiral oxazoline-carbene ligands with an N-naphthyl framework and a study of their coordination with AuCl·SMe(2).

    Science.gov (United States)

    Wang, Feijun; Li, Shengke; Qu, Mingliang; Zhao, Mei-Xin; Liu, Lian-Jun; Shi, Min

    2012-01-01

    Axially chiral oxazoline-carbene ligands with an N-naphthyl framework were successfully prepared, and their coordination behavior with AuCl·SMe(2) was also investigated, affording the corresponding Au(I) complexes in moderate to high yields.

  14. Tetracarboxylatodirhenium complexes linked by axial cyano bridges to metalpentacarbonyl ligands - synthesis and characterization

    International Nuclear Information System (INIS)

    Kuehn, F.E.; Wachter, W.; Goncalves, I.S.; Aveiro Univ.; Lopes, A.D.; Lopes, J.P.; Romao, C.C.; Mink, J.; Veszprem Univ.; Hajba, L.; Parola, A.J.; Pina, F.; Sotomayor, J.

    1999-01-01

    Reaction of Re 2 {μ-O 2 CC(CH 3 ) 3 } 4 Cl 2 with [(CO) 5 M-CN]Na (M=Cr, Mo, W) leads to tetranuclear complexes of formula Re 2 {μ-O 2 CC(CH 3 ) 3 } 4 [-NC-M(CO) 5 ] 2 (M=Cr, Mo, W). These complexes were characterized by 1 H-, 13 C-, and 95 Mo-NMR, IR and Raman spectroscopy, elemental analysis and examined by cyclic voltammetry. The applied methods show the donor capabilities of the [(CO) 5 M-CN] - ligands which shift electron density towards the Re centers weakening the Re-Re quadruple bond. The Re-Re bond lengths and the ν(Re-Re) force constants are estimated based on the FT-IR and Raman examinations. Photchemical examinations and TG/MS experiments have also been conducted. The latter method shows that the product complexes decompose around 100 C, but first loosing their carbonyl substituents; as do the Cr, Mo, W precursor compounds. The dirhenium tetrapivalate unit decomposes only at higher temperatures in a distinct second step. (orig.)

  15. Effects of PPARγ ligands on vascular tone.

    Science.gov (United States)

    Salomone, Salvatore; Drago, Filippo

    2012-06-01

    Peroxisome Proliferator-Activated Receptor γ (PPARγ), originally described as a transcription factor for genes of carbohydrate and lipid metabolism, has been more recently studied in the context of cardiovascular pathophysiology. Here, we review the available data on PPARγ ligands as modulator of vascular tone. PPARγ ligands include: thiazolidinediones (used in the treatment of type 2 diabetes mellitus), glitazars (bind and activate both PPARγ and PPARα), and other experimental drugs (still in development) that exploit the chemistry of thiazolidinediones as a scaffold for PPARγ-independent pharmacological properties. In this review, we examine both short (mostly from in vitro data)- and long (mostly from in vivo data)-term effects of PPARγ ligands that extend from PPARγ-independent vascular effects to PPARγ-dependent gene expression. Because endothelium is a master regulator of vascular tone, we have attempted to differentiate between endothelium-dependent and endothelium-independent effects of PPARγ ligands. Based on available data, we conclude that PPARγ ligands appear to influence vascular tone in different experimental paradigms, most often in terms of vasodilatation (potentially increasing blood flow to some tissues). These effects on vascular tone, although potentially beneficial, must be weighed against specific cardiovascular warnings that may apply to some drugs, such as rosiglitazone.

  16. Electrochemical and Spectroscopic Characterization of Aluminium(III-para-methyl-meso-tetraphenylporphyrin Complexes Containing Substituted Salicylates as Axial Ligands

    Directory of Open Access Journals (Sweden)

    Gauri D. Bajju

    2013-01-01

    Full Text Available A series of aluminium(III-p-methyl-meso-tetraphenylporphyrin (p-CH3TPP-Al(III containing axially coordinated salicylate anion [p-CH3TPP-Al-X], where X = salicylate (SA, 4-chlorosalicylate (4-CSA, 5-chlorosalicylate (5-CSA, 5-flourosalicylate (5-FSA, 4-aminosalicylate (4-ASA, 5-aminosalicylate (5-ASA, 5-nitrosalicylate (5-NSA, and 5-sulfosalicylate (5-SSA, have been synthesized and characterized by various spectroscopic techniques including ultraviolet-visible (UV-vis, infrared (IR spectroscopy, proton nuclear magnetic resonance (1H NMR spectroscopy, 13C NMR, and elemental analysis. A detailed study of electrochemistry of all the synthesized compounds has been done to compare their oxidation and reduction mechanisms and to explain the effect of axial coordination on their redox properties.

  17. Evaluation of electromagnetic shielding effectiveness of multi-axial ...

    Indian Academy of Sciences (India)

    2016-08-26

    Aug 26, 2016 ... ... Lecture Workshops · Refresher Courses · Symposia. Home; Journals; Bulletin of Materials Science; Volume 39; Issue 4. Evaluation of electromagnetic shielding effectiveness of multi-axial fabrics and their reinforced PES composites. RAMAZAN ERDEM. Volume 39 Issue 4 August 2016 pp 963-970 ...

  18. Synthesis, Characterization, and Cytotoxicity of the First Oxaliplatin Pt(IV Derivative Having a TSPO Ligand in the Axial Position

    Directory of Open Access Journals (Sweden)

    Salvatore Savino

    2016-06-01

    Full Text Available The first Pt(IV derivative of oxaliplatin carrying a ligand for TSPO (the 18-kDa mitochondrial translocator protein has been developed. The expression of the translocator protein in the brain and liver of healthy humans is usually low, oppositely to steroid-synthesizing and rapidly proliferating tissues, where TSPO is much more abundant. The novel Pt(IV complex, cis,trans,cis-[Pt(ethanedioatoCl{2-(2-(4-(6,8-dichloro-3-(2-(dipropylamino-2-oxoethylimidazo[1,2-a]pyridin-2-ylphenoxyacetate-ethanolato}(1R,2R-DACH] (DACH = diaminocyclohexane, has been fully characterized by spectroscopic and spectrometric techniques and tested in vitro against human MCF7 breast carcinoma, U87 glioblastoma, and LoVo colon adenocarcinoma cell lines. In addition, affinity for TSPO (IC50 = 18.64 nM, cellular uptake (ca. 2 times greater than that of oxaliplatin in LoVo cancer cells, after 24 h treatment, and perturbation of cell cycle progression were investigated. Although the new compound was less active than oxaliplatin and did not exploit a synergistic proapoptotic effect due to the presence of the TSPO ligand, it appears to be promising in a receptor-mediated drug targeting context towards TSPO-overexpressing tumors, in particular colorectal cancer (IC50 = 2.31 μM after 72 h treatment.

  19. Atropisomerism: the effect of the axial chirality in bioactive compounds; Atropoisomerismo: o efeito da quiralidade axial em substancias bioativas

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Anderson Rouge dos; Pinheiro, Alessandra Campbell; Sodero, Ana Carolina Renno; Cunha, Andrea Sousa da; Padilha, Monica Costa; Sousa, Priscila Mesquita de; Fontes, Silvia Paredes [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica. Dept. de Quimica Organica; Veloso, Marcia Paranho [Universidade Federal de Alfenas, MG (Brazil); Fraga, Carlos Alberto Manssour [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Faculdade de Farmacia. Lab. de Avaliacao e Sintese de Substancias Bioativas (LASSBio)]. E-mail: cmfraga@pharma.ufrj.br

    2007-01-15

    Atropisomerism is a special kind of stereoisomeric relationship that arises from the freezing of a certain conformation of an organic molecule, associated with a high rotational barrier about a single covalent bond. Atropisomerism has been originally described in orto-functionalized biphenyl derivatives, but a lot of other organic functionalities can present this structural phenomenon, characterized by the presence of chiral properties in compounds that do not present classical stereogenic centers. Atropisomeric compounds, intermediates and catalysts have well-know importance in organic synthesis, but the influence of the axial chirality in substances able to modulate biological systems is still not very exploited in drug design and development. In this context, the present account describes the importance of this structural property in the medicinal chemistry of different classes of bioactive compounds or therapeutic agents, emphasizing how atropisomerism could affect the molecular recognition of a ligand or a prototype by the target bioreceptor. (author)

  20. Synthesis and characterisation of luminescent rhenium tricarbonyl complexes with axially coordinated 1,2,3-triazole ligands.

    Science.gov (United States)

    Uppal, Baljinder S; Booth, Rebecca K; Ali, Noreen; Lockwood, Cindy; Rice, Craig R; Elliott, Paul I P

    2011-08-07

    A series of 1-alkyl-4-aryl-1,2,3-triazoles (1-methyl-4-phenyl-1,2,3-triazole (1a); 1-propyl-4-phenyl-1,2,3-triazole (1b); 1-benzyl-4-phenyl-1,2,3-triazole (1c); 1-propyl-4-p-tolyl-1,2,3-triazole (1d)) have been prepared through a one-pot procedure involving in situ generation of the alkyl azide from a halide precursor followed by copper catalysed alkyne/azide cycloaddition (CuAAC) with the appropriate aryl alkyne. Cationic Re(I) complexes [Re(bpy)(CO)(3)(1a-d)]PF(6) (2a-d) were then prepared by stirring [Re(bpy)(CO)(3)Cl] with AgPF(6) in dichloromethane in the presence of ligands 1a-d. X-ray crystal structures were obtained for 2a and 2b. In the solid state, 2a adopts a highly distorted geometry, which is not seen for 2b, in which the plane of the triazole ligand tilts by 13° with respect to the Re-N bond as a result of a π-stacking interaction between the Ph substituent and one of the rings of the bpy ligand. This π-stacking interaction also results in severe twisting of the bpy ligand. Infrared spectra of 2a-d exhibit ν(CO) bands at ∼2035 and ∼1926 cm(-1) suggesting that these ligands are marginally better donors than pyridine (ν(CO) = 2037, 1932 cm(-1)). The complexes are luminescent in aerated dichloromethane at room temperature with emission maxima at 542 to 552 nm comparable to that of the pyridine analogue (549 nm) and blue shifted relative to the parent chloride complex. Long luminescent lifetimes are observed for the triazole complexes (475 to 513 ns) in aerated dichloromethane solutions at room temperature.

  1. The effects of initial rise and axial loads on MEMS arches

    KAUST Repository

    Tella, Sherif Adekunle

    2017-04-07

    Arch microbeams have been utilized and proposed for many uses over the past few years due to their large tunability and bistability. However, recent experimental data have shown different mechanical behavior of arches when subjected to axial loads. This paper aims to investigate in depth the influence of the competing effects of initial rise and axial loads on the mechanical behavior of micromachined arches; mainly their static deflection and resonant frequencies. Based on analytical solutions, the static response and eigenvalue problems are analyzed for various values of initial rises and axial loads. Universal curves showing the variation of the first three resonance frequencies of the arch are generated for various values of initial rise under both tensile and compressive axial loads. This study shows that increasing the tensile or compressive axial loads for different values of initial rise may lead to either increase in the stiffness of the beam or initial decrease in the stiffness, which later increases as the axial load is increased depending on the dominant effect of the initial rise of the arch and the axial load. The obtained universal curves represent useful design tools to predict the tunability of arches under axial loads for various values of initial rises. The use of the universal curves is demonstrated with an experimental case study. Analytical formulation is developed to predict the point of minimum where the trend of the resonance frequency versus axial loads changes qualitatively due to the competing effects of axial loads and initial curvature.

  2. Meissner effect for axially symmetric charged black holes

    Science.gov (United States)

    Gürlebeck, Norman; Scholtz, Martin

    2018-04-01

    In our previous work [N. Gürlebeck and M. Scholtz, Phys. Rev. D 95, 064010 (2017), 10.1103/PhysRevD.95.064010], we have shown that electric and magnetic fields are expelled from the horizons of extremal, stationary and axially symmetric uncharged black holes; this is called the Meissner effect for black holes. Here, we generalize this result in several directions. First, we allow that the black hole carries charge, which requires a generalization of the definition of the Meissner effect. Next, we introduce the notion of almost isolated horizons, which is weaker than the usual notion of isolated horizons, since the geometry of the former is not necessarily completely time independent. Moreover, we allow the horizon to be pierced by strings, thereby violating the usual assumption on the spherical topology made in the definition of the weakly isolated horizon. Finally, we spell out in detail all assumptions entering the proof and show that the Meissner effect is an inherent property of black holes even in full nonlinear theory.

  3. Effective axial-vector strength and β-decay systematics

    Science.gov (United States)

    Delion, D. S.; Suhonen, J.

    2014-09-01

    We use the weak axial-vector coupling strength g_{\\text{A}} as a key parameter to reproduce simultaneously the available data for both the Gamow-Teller \\beta^- and \\beta^+/\\text{EC} decay rates in nine triplets of isobars with mass numbers A=70,78,100,104,106,110,116,128,130 . We use the proton-neutron quasiparticle random-phase approximation (pnQRPA) with schematic dipole interaction containing particle-particle and particle-hole parts with mass-dependent strengths. Our analysis points to a strongly quenched effective value g_{\\text{A}}\\approx 0.3 , with a relative error of 28%. We then perform a systematic computation of 218 experimentally known \\beta^- and \\beta^+/\\text{EC} decays with quite a remarkable success. The presently extracted value of g_{\\text{A}} should be taken as an effective one, specific for a given nuclear theory framework. Present studies suggest that the effective g_{\\text{A}} is suitable for the description of decay transitions to 1^+ states at moderate excitation, below the Gamow-Teller giant resonance region.

  4. Study of Fuel Rods Axial Enrichment Distribution Effect on the Neutronic Parameters of the Reactor Core

    International Nuclear Information System (INIS)

    Pazirandeh, A.; Nasiri, S. H.

    2012-01-01

    Optimization of the fuel burn up is an important issue in nuclear reactor fuel management and technology. Radial enrichment distribution in the reactor core is a conventional method and axial enrichment is constant along the fuel rod. In this article, the effects of axial enrichment distribution variation on neutronic parameters of PWR core are studied. The axial length of the core is divided into ten sections, considering axial enrichment variation and leaving the existing radial enrichment distribution intact. This study shows that the radial and axial power peaking factors are decreased as compared with the typical conventional core. In addition, the first core lifetime lasts 30 days longer than normal PWR core. Moreover, at the same time boric acid density is 0.2 g/kg at the beginning of the cycle. The flux shape is also flat at the beginning of the cycle for the proposed configuration of the axially enrichment distribution.

  5. Effects of electrostatic interactions on ligand dissociation kinetics

    Science.gov (United States)

    Erbaş, Aykut; de la Cruz, Monica Olvera; Marko, John F.

    2018-02-01

    We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics simulations are suggested by single-molecule studies of protein-DNA interactions. We consider univalent salt concentrations spanning roughly a 1000-fold range, together with various concentrations of excess ligands in solution. To reveal the ionic effects on unbinding kinetics of spontaneous and facilitated dissociation mechanisms, we treat electrostatic interactions both at a Debye-Hückel (DH) (or implicit ions, i.e., use of an electrostatic potential with a prescribed decay length) level and by the more precise approach of considering all ionic species explicitly in the simulations. We find that the DH approach systematically overestimates unbinding rates, relative to the calculations where all ion pairs are present explicitly in solution, although many aspects of the two types of calculation are qualitatively similar. For facilitated dissociation (FD) (acceleration of unbinding by free ligands in solution) explicit-ion simulations lead to unbinding at lower free-ligand concentrations. Our simulations predict a variety of FD regimes as a function of free-ligand and ion concentrations; a particularly interesting regime is at intermediate concentrations of ligands where nonelectrostatic binding strength controls FD. We conclude that explicit-ion electrostatic modeling is an essential component to quantitatively tackle problems in molecular ligand dissociation, including nucleic-acid-binding proteins.

  6. Evaluation of electromagnetic shielding effectiveness of multi-axial ...

    Indian Academy of Sciences (India)

    The usage of electrical and electronic equipments has been increasing in daily life, which has a potential hazardous impact on humans and other living organisms. In this paper, multi-axial fabrics containing steel yarns and carbon filaments, and their polyester (PES) resin-reinforced composites have been prepared for ...

  7. Probability analysis of dynamical effects of axial piston hydraulic motor

    OpenAIRE

    Sapietova Alzbeta; Dekys Vladimír; Sapieta Milan; Sulka Peter; Gajdos Lukas; Rojek Izabela

    2018-01-01

    The paper presents an analysis of impact force on stopper screw in axial piston hydraulic motor. The solution contains probabilistic description of input variables. If the output parameters of probabilistic solution are compared with arbitrary values and values acquired by analytical solution, the probability of proper operation of the device can be evaluated.

  8. Periodicity effects of axial waves in elastic compound rods

    DEFF Research Database (Denmark)

    Nielsen, R. B.; Sorokin, S. V.

    2015-01-01

    Floquet analysis is applied to the Bernoulli-Euler model for axial waves in a periodic rod. Explicit asymptotic formulae for the stop band borders are given and the topology of the stop band pattern is explained. Eigenfrequencies of the symmetric unit cell are determined by the Phase-closure Prin......Floquet analysis is applied to the Bernoulli-Euler model for axial waves in a periodic rod. Explicit asymptotic formulae for the stop band borders are given and the topology of the stop band pattern is explained. Eigenfrequencies of the symmetric unit cell are determined by the Phase......-closure Principle, and their correspondence with stop band formation is shown. Steady-state and transient dynamics of a periodic rod of finite length are analysed numerically and the difference in structural response when excitation is done in either stop- or pass bands is demonstrated. A physical interpretation...

  9. Axial gravitational waves in FLRW cosmology and memory effects

    Science.gov (United States)

    Kulczycki, Wojciech; Malec, Edward

    2017-09-01

    We show initial data for gravitational axial waves that are twice differentiable but that are not C2. They generate wave pulses that interact with matter in the radiation cosmological era. This forces the radiation matter to rotate. This rotation is permanent—it persists after the passage of the gravitational pulse. The observed inhomogeneities of the cosmic microwave background radiation put a bound onto discontinuities of superhorizon metric perturbations. We explicitly show that a class of smooth initial metrics that are at least C2 gives rise to gravitational wave pulses that do not interact with the background during the radiation epoch.

  10. The effects of initial rise and axial loads on MEMS arches

    KAUST Repository

    Tella, Sherif Adekunle; Hajjaj, Amal Z.; Younis, Mohammad I.

    2017-01-01

    . This paper aims to investigate in depth the influence of the competing effects of initial rise and axial loads on the mechanical behavior of micromachined arches; mainly their static deflection and resonant frequencies. Based on analytical solutions

  11. Effects of casing treatment on a small, transonic axial-flow compressor

    Science.gov (United States)

    Holman, F. F.; Kidwell, J. R.

    1975-01-01

    Improved axial compressor surge margin through effective rotor casing treatment has been identified from test results on large axial compressors. A modified scale of a large compressor was built and tested to determine if similar improvements in surge margin could be duplicated in small-size turbomachinery. In addition, the effects of rotor radial running clearance, both with and without casing treatment, were investigated and are discussed. Test results of the scale configuration are presented and compared to the parent compressor.

  12. Excited state redox properties of phthalocyanines: influence of the axial ligand on the rates of relaxation and electron-transfer quenching of the lowest /sup 3/. pi pi. /sup */ excited state

    Energy Technology Data Exchange (ETDEWEB)

    Ferraudi, G J; Prasad, D R

    1874-01-01

    Laser flash excitations at 640 nm have been used to generate the transient spectra of the lowest-lying /sup 3/..pi pi../sup */ state of phthalocyaninatoruthenium(II) complexes. The properties of this excited state such as the properties of the maxima, lambda/sub max/ = 500 +/- 30 nm, and lifetimes, t/sub 1/2/ = 70-4500 ns, exhibit a large dependence on the electron-accepting and electron-withdrawing tendencies of the axial ligands. A similar influence was observed upon the rate of electron-transfer quenching of the /sup 3/..pi pi../sup */ state. Values between 10/sup 6/ and 10/sup 7/ dm/sup 3/ mol/sup -1/ s/sup -1/ for the self-exchange rate constant have been obtained, according to Marcus-Hush theoretical treatments, for (Ru(pc.)LL')/sup +//(/sup 3/..pi pi../sup */)(Ru(pc)LL') (L and L' = neutral axial ligands; pc = phthalocyaninate (2-)) and isoelectronic cobalt(III) and rhodium(III) couples. The redox properties of the ground and excited states are correlated with axial ligand-induced perturbations of the electronic structure.

  13. Synergistic Effects of PPARγ Ligands and Retinoids in Cancer Treatment

    Directory of Open Access Journals (Sweden)

    Masahito Shimizu

    2008-01-01

    Full Text Available Peroxisome proliferator-activated receptors (PPARs are members of the nuclear receptor superfamily. The activation of PPARs by their specific ligands is regarded as one of the promising strategies to inhibit cancer cell growth. However, recent clinical trials targeting several common cancers showed no beneficial effect when PPAR ligands are used as a monotherapy. Retinoid X receptors (RXRs, which play a critical role in normal cell proliferation as a master regulator for nuclear receptors, preferentially form heterodimers with PPARs. A malfunction of RXRα due to phosphorylation by the Ras/MAPK signaling pathway is associated with the development of certain types of human malignancies. The activation of PPARγ/RXR heterodimer by their respective ligands synergistically inhibits cell growth, while inducing apoptosis in human colon cancer cells when the phosphorylation of RXRα was inhibited. We herein review the synergistic antitumor effects produced by the combination of the PPAR, especially PPARγ, ligands plus other agents, especially retinoids, in a variety of human cancers. We also focus on the phosphorylation of RXRα because the inhibition of RXRα phosphorylation and the restoration of its physiological function may activate PPAR/RXR heterodimer and, therefore, be a potentially effective and critical strategy for the inhibition of cancer cell growth.

  14. Effect of intervertebral disk degeneration on spinal stenosis during magnetic resonance imaging with axial loading

    International Nuclear Information System (INIS)

    Ahn, Tae-Joon; Lee, Sang-Ho; Choi, Gun; Ahn, Yong; Liu, Wei-Chiang; Kim, Ho-Jin; Lee, Ho-Yeon

    2009-01-01

    Magnetic resonance (MR) imaging with axial loading can simulate the physiological standing state and disclose spinal stenosis undetected or underestimated in the conventional position. Intervertebral disk degeneration may be an important factor in spinal stenosis. This study investigated whether intervertebral disk degeneration increases spinal stenosis during axial loading. MR imaging with and without axial loading was obtained in 51 patients with neurogenic intermittent claudication and/or sciatica and reviewed retrospectively. The grade of disk degeneration was rated in four disk spaces from L2-3 to L5-S1. The dural sac cross-sectional area (DCSA) was measured on MR images taken in both conventional and axial loading positions, and the change in the DCSA was calculated. The effect of disk degeneration on the DCSA was statistically analyzed. Significant decreases in the DCSA occurred with grade 4 disk degeneration (mean±standard deviation, 20.1±14.1 mm 2 ), followed by grade 3 (18.3±15.1 mm 2 ) and grade 2 (8.9±13.1 mm 2 ). DCSA decreased considerably with increased severity of disk degeneration with axial loading, except for grade 5 disk degeneration. More accurate diagnosis of stenosis can be achieved using MR imaging with axial loading, especially if grade 2 to 4 disk degeneration is present. (author)

  15. THE EFFECT OF VARIATION CONCRETE CUBE OF AXIAL LOAD ON ULTRASONIC PULSE VELOCITY TRANSMITTER

    Directory of Open Access Journals (Sweden)

    Faqih Ma’arif

    2015-05-01

    The test result showed that the increase of ultrasonic pulse velocity effect on cube II due to axial load variation was optimum at 0,35P0 and was minimum at 0,7P0, if compared to the one without axial load, the results were 4,17% and 11,60 respectively. The decrease of pulse velocity on cube III due to axial load variation was at 0,25P0 and 0,7P0; if compared to the one without axial load the result were 0,47% and 20,87% respectively. And the increase of ultrasonic pulse velocity effect on cube IV due to axial load variation was optimum at 0,35P0 and was minimum at 0,7P0; if compared to the one without axial load the result were 0,52% and 21,63% respectively. The maximum limit of effective load step at structure experiencing compressive load ranged from 0,35P0 up to 0,4P0. At high stress level, the crack that occurred was spread evenly to the concrete cubic components and was giving an exponential equation y = y= 5,11e0,0467x. The result of analysis of cubes II, III and IV showed that on paired sample t-test 0,00<0,025, the significant value (2-tailed (0,00<(0,025; meaning there was a difference of pulse velocity due to axial load variation on concrete cube.

  16. A study of friction and axial effects in pellet-clad mechanical interaction

    International Nuclear Information System (INIS)

    Harriague, Santiago; Mayer, J.E.

    1982-01-01

    An analysis is made of the effect of friction and axial forces along the fuel rod in the pellet-cladding mechanical interaction in a commercial reactor under a power-up ramp. The effect of different pellet and rod shapes on their behaviour was also determined. A linear thermoelastic computer program was used in order to obtain the stiffness matrix of a compound structure from the stiffness of its components. Pellet-cladding displacements, localized deformations of the cladding in the interfaces between pellets, as well as pellet and cladding axial deformations were determined for different power axial profiles as well as for pellets with and without dishing and with height/diameter ratios of 1.7, 1 and 0.5. (M.E.L.) [es

  17. Effect of bone-soft tissue friction on ultrasound axial shear strain elastography.

    Science.gov (United States)

    Tang, Songyuan; Chaudhry, Anuj; Kim, Namhee; Reddy, J N; Righetti, Raffaella

    2017-07-12

    Bone-soft tissue friction is an important factor affecting several musculoskeletal disorders, frictional syndromes and the ability of a bone fracture to heal. However, this parameter is difficult to determine using non-invasive imaging modalities, especially in clinical settings. Ultrasound axial shear strain elastography is a non-invasive imaging modality that has been used in the recent past to estimate the bonding between different tissue layers. As most elastography methods, axial shear strain elastography is primarily used in soft tissues. More recently, this technique has been proposed to assess the bone-soft tissue interface. In this paper, we investigate the effect of a variation in bone-soft tissue friction coefficient in the resulting axial shear strain elastograms. Finite element poroelastic models of bone specimens exhibiting different bone-soft tissue friction coefficients were created and mechanically analyzed. These models were then imported to an ultrasound elastography simulation module to assess the presence of axial shear strain patterns. In vitro experiments were performed to corroborate selected simulation results. The results of this study show that the normalized axial shear strain estimated at the bone-soft tissue interface is statistically correlated to the bone-soft tissue coefficient of friction. This information may prove useful to better interpret ultrasound elastography results obtained in bone-related applications and, possibly, monitor bone healing.

  18. Effect of axial length on laser spot size during photodynamic therapy: an experimental study in monkeys.

    Science.gov (United States)

    Kondo, Mineo; Ito, Yasuki; Miyata, Kentaro; Kondo, Nagako; Ishikawa, Kohei; Terasaki, Hiroko

    2006-01-01

    To investigate the effect of shorter axial length on the laser spot size and laser energy during photodynamic therapy (PDT) in monkeys. Experimental study with four rhesus monkeys. PDT was performed on the normal retina of monkeys whose ocular axial lengths are shorter (19.55 to 20.25 mm) than that of humans. After the PDT, the eyes were enucleated, and the diameter of the irradiated laser spot was measured with a microcaliper. The area of actual laser spot was only 0.56 to 0.61 times of the planned area, which indicated that the laser energy/area was 1.64 to 1.78 times more intense than planned initially. These results are the in vivo demonstration that the diameter of PDT laser spot is smaller for eyes with shorter axial lengths.

  19. Axial Hall effect and universality of holographic Weyl semi-metals

    Energy Technology Data Exchange (ETDEWEB)

    Copetti, Christian; Fernández-Pendás, Jorge; Landsteiner, Karl [Instituto de Física Teórica UAM/CSIC,c/ Nicolás Cabrera 13-15, Cantoblanco, 28049 Madrid (Spain)

    2017-02-28

    The holographic Weyl semimetal is a model of a strongly coupled topological semi-metal. A topological quantum phase transition separates a topological phase with non-vanishing anomalous Hall conductivity from a trivial state. We investigate how this phase transition depends on the parameters of the scalar potential (mass and quartic self coupling) finding that the quantum phase transition persists for a large region in parameter space. We then compute the axial Hall conductivity. The algebraic structure of the axial anomaly predicts it to be 1/3 of the electric Hall conductivity. We find that this holds once a non-trivial renormalization effect on the external axial gauge fields is taken into account. Finally we show that the phase transition also occurs in a top-down model based on a consistent truncation of type IIB supergravity.

  20. Sampling protein motion and solvent effect during ligand binding

    Science.gov (United States)

    Limongelli, Vittorio; Marinelli, Luciana; Cosconati, Sandro; La Motta, Concettina; Sartini, Stefania; Mugnaini, Laura; Da Settimo, Federico; Novellino, Ettore; Parrinello, Michele

    2012-01-01

    An exhaustive description of the molecular recognition mechanism between a ligand and its biological target is of great value because it provides the opportunity for an exogenous control of the related process. Very often this aim can be pursued using high resolution structures of the complex in combination with inexpensive computational protocols such as docking algorithms. Unfortunately, in many other cases a number of factors, like protein flexibility or solvent effects, increase the degree of complexity of ligand/protein interaction and these standard techniques are no longer sufficient to describe the binding event. We have experienced and tested these limits in the present study in which we have developed and revealed the mechanism of binding of a new series of potent inhibitors of Adenosine Deaminase. We have first performed a large number of docking calculations, which unfortunately failed to yield reliable results due to the dynamical character of the enzyme and the complex role of the solvent. Thus, we have stepped up the computational strategy using a protocol based on metadynamics. Our approach has allowed dealing with protein motion and solvation during ligand binding and finally identifying the lowest energy binding modes of the most potent compound of the series, 4-decyl-pyrazolo[1,5-a]pyrimidin-7-one. PMID:22238423

  1. Effects of Boundary Conditions on the Parametric Resonance of Cylindrical Shells under Axial Loading

    Directory of Open Access Journals (Sweden)

    T.Y. Ng

    1998-01-01

    Full Text Available In this paper, a formulation for the dynamic stability analysis of circular cylindrical shells under axial compression with various boundary conditions is presented. The present study uses Love’s first approximation theory for thin shells and the characteristic beam functions as approximate axial modal functions. Applying the Ritz procedure to the Lagrangian energy expression yields a system of Mathieu–Hill equations the stability of which is analyzed using Bolotin’s method. The present study examines the effects of different boundary conditions on the parametric response of homogeneous isotropic cylindrical shells for various transverse modes and length parameters.

  2. Effect of urea on protein-ligand association.

    Science.gov (United States)

    Stepanian, Lora; Son, Ikbae; Chalikian, Tigran V

    2017-12-01

    We combine experimental and theoretical approaches to investigate the influence of a cosolvent on a ligand-protein association event. We apply fluorescence measurements to determining the affinity of the inhibitor tri-N-acetylglucosamine [(GlcNAc) 3 ] for lysozyme at urea concentrations ranging from 0 to 8M. Notwithstanding that, at room temperature and neutral pH, lysozyme retains its native conformation up to the solubility limit of urea, the affinity of (GlcNAc) 3 for the protein steadily decreases as the concentration of urea increases. We analyze the urea dependence of the binding free energy within the framework of a simplified statistical thermodynamics-based model that accounts for the excluded volume effect and direct solute-solvent interactions. The analysis reveals that the detrimental action of urea on the inhibitor-lysozyme binding originates from competition between the free energy contributions of the excluded volume effect and direct solute-solvent interactions. The free energy contribution of direct urea-solute interactions narrowly overcomes the excluded volume contribution thereby resulting in urea weakening the protein-ligand association. More broadly, the successful application of the simple model employed in this work points to the possibility of its use in quantifying the stabilizing/destabilizing action of individual cosolvents on biochemical folding and binding reactions. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Axial Magneto-Inductive Effect in Soft Magnetic Microfibers, Test Methodology, and Experiments

    Science.gov (United States)

    2016-03-24

    Nickle nT Nano- Tesla Si Silicon V Volts w Exchange Energy W Watts Zm Coil Impedance, measured  Circumferential Field Direction T Micro... Tesla  Ratio of Coil Length to Diameter  Ohm ° Degrees 1 (2 blank) 1. INTRODUCTION Magneto-induction (MI) effects in soft...axial magnetic field is utilized to excite the fiber. Previous investigators have demonstrated this effect with small coils applied directly to the

  4. The effect of axial loads on free vibration of symmetric frame structures using continuous system method

    Directory of Open Access Journals (Sweden)

    Elham Ghandi

    2016-09-01

    Full Text Available The free vibration of frame structures has been usually studied in literature without considering the effect of axial loads. In this paper, the continuous system method is employed to investigate this effect on the free flexural and torsional vibration of two and three dimensional symmetric frames. In the continuous system method, in approximate analysis of buildings, commonly, the structure is replaced by an equivalent beam which matches the dominant characteristics of the structure. Accordingly, the natural frequencies of the symmetric frame structures are obtained through solving the governing differential equation of the equivalent beam whose stiffness and mass are supposed to be uniformly distributed along the length. The corresponding axial load applied to the replaced beam is calculated based on the total weight and the number of stories of the building. A numerical example is presented to show the simplicity and efficiency of the proposed solution.

  5. An immediate effect of axial neck rotation training with real time visual feedback using a smartphone inclinometer on improvement in axial neck rotation function.

    Science.gov (United States)

    Park, Kyue-Nam; Kwon, Oh-Yun; Kim, Si-Hyun; Jeon, In-Cheol

    2017-03-01

    The purpose of this study was to compare the immediate effects of axial neck rotation training (Axi-NRT) with and without real-time visual feedback (VF) using a smartphone inclinometer on the range of motion (ROM) for axial neck rotation and the onset of compensatory neck lateral bending and extension during active neck rotation. Twenty participants with restricted ROM for neck rotation but no neck pain (21.1 ± 1.6 years and 8 males, 12 females) were recruited for Axi-NRT with VF, and twenty age- and gender-matched participants with restricted ROM for neck rotation were recruited for Axi-NRT without VF. Changes in ROM for neck rotation and the onset time of compensatory neck movement during active neck rotation were measured using an electromagnetic tracking system. Axi-NRT with VF was more effective in increasing ROM for neck rotation and decreasing and delaying the onset of compensatory neck movements during active neck rotation compared with Axi-NRT without VF. Repeated Axi-NRT using VF is useful to educate participants in maintaining the axis of the cervical spine and to increase ROM for axial neck rotation with less compensatory neck motion in participants with a restricted range of neck rotations.

  6. Effect of blade sweep on inlet flow in axial compressor cascades

    Directory of Open Access Journals (Sweden)

    Hao Chang

    2015-02-01

    Full Text Available This paper presents comparative numerical studies to investigate the effects of blade sweep on inlet flow in axial compressor cascades. A series of swept and straight cascades was modeled in order to obtain a general understanding of the inlet flow field that is induced by sweep. A computational fluid dynamics (CFD package was used to simulate the cascades and obtain the required three-dimensional (3D flow parameters. A circumferentially averaged method was introduced which provided the circumferential fluctuation (CF terms in the momentum equation. A program for data reduction was conducted to obtain a circumferentially averaged flow field. The influences of the inlet flow fields of the cascades were studied and spanwise distributions of each term in the momentum equation were analyzed. The results indicate that blade sweep does affect inlet radial equilibrium. The characteristic of radial fluid transfer is changed and thus influencing the axial velocity distributions. The inlet flow field varies mainly due to the combined effect of the radial pressure gradient and the CF component. The axial velocity varies consistently with the incidence variation induced by the sweep, as observed in the previous literature. In addition, factors that might influence the radial equilibrium such as blade camber angles, solidity and the effect of the distance from the leading edge are also taken into consideration and comparatively analyzed.

  7. A study of friction and axial effects in pellet-clad mechanical interaction

    International Nuclear Information System (INIS)

    Harriague, S.; Meyer, J.E.

    1983-01-01

    An analysis is made of the effect of friction forces at the pellet-cladding contact points on the behaviour of a fuel rod under a power-up ramp. A thermoelastic description of the pellets is given; the stiffness matrix and initial displacements are obtained from a finite element calculation. The cladding is considered to behave as a thermoelastic thin shell. A method is developed to assemble the stiffness of each pellet and corresponding cladding section on a fuel rod, resulting in an explicit description of the whole stack. The assumption of thermoelasticity allows for a very fast calculation, even when including hundreds of pellets under an arbitrary axial distribution of power. Results showing the pattern of friction and axial forces, and relative and localized displacements along the rod, are presented. In most cases, pellets at the top of the stack slide with respect to the clad. As a result of the build-up of axial forces due to friction, pellets at lower positions in the fuel column may show, at the contact positions, no relative displacements with respect to the cladding. The effect of pellet dishing and L/D ratio on the axial strains and local deformations are shown. The predictions are consistent with the experimental observations on the effect of pellet shape. Finally, a discussion is made of the results of this study. The use of these results as a guideline for establishing proper boundary conditions in a non-linear PCMI model (i.e., including plasticity and pellet cracking) are also discussed. (author)

  8. Effect of axial diffusional delays on the overall fission gas release

    International Nuclear Information System (INIS)

    Pedersen, N.K.

    1983-01-01

    In fission gas release modeling, it is normally assumed that any locally released gas mixes instantly and perfectly with other gases throughout the internal rod void volume. The present work investigates the consequences of the assumption that perfect mixing is dependent on diffusion, although the subassumption is maintained that pressure equilibrium is instantly achieved. In other words, when a burst of gas release occurs at any axial location, sufficient local accommodation takes place throughout the rod to eliminate any pressure gradients, but due to the narrowness of the passages through fuel cracks and fuel-cladding gap, concentration gradients may still prevail. Diffusion coefficients for the subsequent concentration equilibration are derived from classical theories. Application of one-dimensional diffusion theory is straightforward, but the lack of knowledge of the effective width of the axial passage introduces an uncertainty

  9. Individual particle motion and the effect of scattering in an axially symmetric magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Garren, A; Riddell, R J; Smith, L; Henrich, L R [Radiation Laboratory, University of California, Berkeley, CA (United States); Bing, G; Northrop, T G; Roberts, J E [Radiation Laboratory, University of California, Livermore, CA (United States)

    1958-07-01

    The possibility of confining charged particles with magnetic mirrors has long been recognized. A mirror field has axial symmetry and a magnitude that increases along the axis away from a central region in which the particles are to be contained. Heretofore, the likelihood of confinement has been based on the approximate invariance of the magnetic moment as described by Alfven. If the magnetic moment of a particle with given energy is too small the particle escapes axially through the mirror. The moment can become small because it is not a rigorous constant of the motion or because of Coulomb scattering of the particle. Both these effects have been studied; the first by analytic and numerical methods and the second by numerical solution of the Fokker- Planck equation.

  10. Microscopic Measurements of Axial Accumulation of Red Blood Cells in Capillary Flows Effects of Deformability

    Science.gov (United States)

    Sasaki, Takahiro; Seki, Junji; Itano, Tomoaki; Sugihara-Seki, Masako

    2017-11-01

    In the microcirculation, red blood cells (RBCs) are known to accumulate in the region near the central axis of microvessels, which is called the ``axial accumulation''. Although this behavior of RBCs is considered to originate from high deformability of RBCs, there have been few experimental studies on the mechanism. In order to elucidate the effect of RBC deformability on the axial accumulation, we measured the cross-sectional distributions of RBCs flowing through capillary tubes with a high spatial resolution by a newly devised observation system for intact and softened RBCs as well as hardened RBCs to various degrees. It was found that the intact and softened RBCs are concentrated in the small area centered on the tube axis, whereas the hardened RBCs are dispersed widely over the tube cross section dependent on the degree of hardness. These results demonstrate clearly the essential role of the deformability of RBCs in the ``axial accumulation'' of RBCs. JSPS KAKENHI Grant Number 17H03176, Kansai University ORDIST group funds.

  11. The mitigation effect of sheared axial flow on the rayleigh-taylor instability in Z-pinch plasma

    International Nuclear Information System (INIS)

    Zhang Yang

    2005-01-01

    A magnetohydrodynamic formulation is derived to investigate the mitigation effects of the sheared axial flow on the Rayleigh-Taylor (RT) instability in Z-pinch plasma. The dispersion relation of the compressible model is given. The mitigation effects of sheared axial flow on the Rayleigh-Taylor instability of Z-pinch plasma in the compressible and incompressible models are compared respectively, and the effect of compressible on the instability of system with sheared axial flow is discussed. It is found that, compressibility effects can stabilize the Rayleigh-Taylor/Kelvin-Helmholtz (RT/KH) instability, and this allows the sheared axial flow mitigate the RT instability far more effectively. The authors also find that, at the early stage of the implosion, if the temperature of the plasma is not very high, the compressible model is much more suitable to describing the state of system than the incompressible one. (author)

  12. Recent Advances in Imaging of the Axial Skeleton in Spondyloarthritis for Diagnosis, Assessment of Treatment Effect, and Prognostication

    DEFF Research Database (Denmark)

    Pedersen, Susanne Juhl; Maksymowych, Walter P

    2015-01-01

    In the last few years, many studies have investigated the role of imaging for improved diagnosis, assessment of treatment effects, and determining prognosis in patients with axial spondyloarthritis (SpA). Recent research has primarily focused on the utility of magnetic resonance imaging (MRI...... developed and have provided insight into effects of treatment on structural progression and the interrelationships between different lesions visualized by MRI. This review gives an overview of the recent advances in imaging of the axial skeleton in axial SpA from a clinical perspective....

  13. Simulation Research of Magnetic Constriction Effect and Controlling by Axial Magnetic Field of Vacuum Arc

    Institute of Scientific and Technical Information of China (English)

    王立军; 贾申利; 史宗谦; 荣命哲

    2005-01-01

    Based on magnetohydrodynamic (MHD) model of vacuum arc, the computer simulation of vacuum arc was carried out in this paper. In the MHD model, mass conservation equation,momentum conservation equations, energy conservation equations, generalized ohm's law and Maxwell equation were considered. MHD equations were calculated by numerical method, and the distribution of vacuum arc plasma parameters and current density were obtained. Simulation results showed that the magnetic constriction effect of vacuum arc is primarily caused by the Hall effect. In addition, the inhibition of axial magnetic field (AMF) on constriction of vacuum arc was calculated and analyzed.

  14. Charge-Transfer Effects in Ligand Exchange Reactions of Au25 Monolayer-Protected Clusters.

    Science.gov (United States)

    Carducci, Tessa M; Blackwell, Raymond E; Murray, Royce W

    2015-04-16

    Reported here are second-order rate constants of associative ligand exchanges of Au25L18 nanoparticles (L = phenylethanethiolate) of various charge states, measured by proton nuclear magnetic resonance at room temperature and below. Differences in second-order rate constants (M(-1) s(-1)) of ligand exchange (positive clusters ∼1.9 × 10(-5) versus negative ones ∼1.2 × 10(-4)) show that electron depletion retards ligand exchange. The ordering of rate constants between the ligands benzeneselenol > 4-bromobenzene thiol > benzenethiol reveals that exchange is accelerated by higher acidity and/or electron donation capability of the incoming ligand. Together, these observations indicate that partial charge transfer occurs between the nanoparticle and ligand during the exchange and that this is a rate-determining effect in the process.

  15. Prediction of ligand effects in platinum-amyloid-β coordination.

    Science.gov (United States)

    Turner, Matthew; Deeth, Robert J; Platts, James A

    2017-08-01

    Ligand field molecular mechanics (LFMM) and semi-empirical Parametric Model 7 (PM7) methods are applied to a series of six Pt II -Ligand systems binding to the N-terminal domain of the amyloid-β (Aβ) peptide. Molecular dynamics using a combined LFMM/Assisted Model Building with Energy Refinement (AMBER) approach is used to explore the conformational freedom of the peptide fragment, and identifies favourable platinum binding modes and peptide conformations for each ligand investigated. Platinum coordination is found to depend on the nature of the ligand, providing evidence that binding mode may be controlled by suitable ligand design. Boltzmann populations at 310K indicate that each Pt-Aβ complex has a small number of thermodynamically accessible states. Ramachandran maps are constructed for the sampled Pt-Aβ conformations and secondary structural analysis of the obtained complex structures is performed and contrasted with the free peptide; coordination of these platinum complexes disrupts existing secondary structure in the Aβ peptide and promotes formation of ligand-specific turn-type secondary structure. Copyright © 2017 Elsevier Inc. All rights reserved.

  16. Axial myopathy

    DEFF Research Database (Denmark)

    Witting, Nanna; Andersen, Linda K; Vissing, John

    2016-01-01

    Classically, myopathies are categorized according to limb or cranial nerve muscle affection, but with the growing use of magnetic resonance imaging it has become evident that many well-known myopathies have significant involvement of the axial musculature. New disease entities with selective axial...

  17. The synergistic effect of complex ligands for radioactive metal salts decontamination in supercritical CO2

    International Nuclear Information System (INIS)

    Go, M. S.; Park, K. H.; Kim, H. W.; Kim, H. D.

    2004-01-01

    The organophosphorus and dithiocarbamate ligands were used to extract five metal ions (Cd 2+ , Co 2+ , Cu 2+ , Pb 2+ , Zn 2+ ) in supercritical CO 2 so as to decontaminate the radioactive contaminants. The experiments confirmed that the ligands mixed together in a variety of the mixing ratios efficiently extracted all metal ions by more than 90% due to its synergistic effect. The UV-Vis spectrometer installed in a high-pressurized cell showed that the NaDDC was decomposed in supercritical CO 2 containing the water. It also proved that the synergistic effect improved the deprotonation of the organophosphorus ligand when NaDDC was used together with. In addition, we mixed organophosphorus ligand together with diethylamine, the decomposed NaDDC, to obtain the same extraction result of more than 90% as with NaDDC. The enhanced extraction efficiency shows the synergistic effect that is produced by combining two ligands together

  18. Architecture effects on multivalent interactions by polypeptide-based multivalent ligands

    Science.gov (United States)

    Liu, Shuang

    Multivalent interactions are characterized by the simultaneous binding between multiple ligands and multiple binding sites, either in solutions or at interfaces. In biological systems, most multivalent interactions occur between protein receptors and carbohydrate ligands through hydrogen-bonding and hydrophobic interactions. Compared with weak affinity binding between one ligand and one binding site, i.e. monovalent interaction, multivalent interactioins provide greater avidity and specificity, and therefore play unique roles in a broad range of biological activities. Moreover, the studies of multivalent interactions are also essential for producing effective inhibitors and effectors of biological processes that could have important therapeutic applications. Synthetic multivalent ligands have been designed to mimic the biological functions of natural multivalent interactions, and various types of scaffolds have been used to display multiple ligands, including small molecules, linear polymers, dendrimers, nanoparticle surfaces, monolayer surfaces and liposomes. Studies have shown that multivalent interactions can be highly affected by various architectural parameters of these multivalent ligands, including ligand identities, valencies, spacing, ligand densities, nature of linker arms, scaffold length and scaffold conformation. Most of these multivalent ligands are chemically synthesized and have limitations of controlling over sequence and conformation, which is a barrier for mimicking ordered and controlled natural biological systems. Therefore, multivalent ligands with precisely controlled architecture are required for improved structure-function relationship studies. Protein engineering methods with subsequent chemical coupling of ligands provide significant advantages of controlling over backbone conformation and functional group placement, and therefore have been used to synthesize recombinant protein-based materials with desired properties similar to natural

  19. Effect of axial stress on the transient mechanical response of 20%, cold-worked Type 316 stainless-steel cladding

    International Nuclear Information System (INIS)

    Yamada, H.

    1979-01-01

    To understand the effects of the fuel-cladding mechanical interaction on the failure of 20% cold-worked Type 316 stainless-steel cladding during anticipated nuclear reactor transients, the transient mechanical response of the cladding was investigated using a transient tube burst method at a heating rate of 5.6 0 C/s and axial-to-hoop-stress ratios in the range of 1/2 to 2. The failure temperatures were observed to remain essentially constant for the transient tests at axial-to-hoop-stress ratios between 1/2 and 1, but to decrease with an increase in axial-to-hoop-stress ratios above unity. The uniform diametral strains to failure were observed to decrease monotonically with an increase in axial-to-hoop-stress ratio from 1/2 to 2, and in general, the uniform axial strains to failure were observed to increase with an increase in axial-to-hoop-stress ratio. The fracture of the cladding during thermal transients was found to be strongly affected by the maximum principal stress but not by the effective stress

  20. Self-field effects on electron dynamics in free-electron lasers with axial magnetic field

    International Nuclear Information System (INIS)

    Mirzanejhad, S.; Maraghechi, B.; Mohsenpour, T.

    2004-01-01

    A self-consistent method for the analysis of self-magnetic field for a free-electron laser with a one-dimensional helical wiggler and an axial guide magnetic field is presented. The equilibrium orbits and their stability, under the influence of self-electric and self-magnetic fields, are analyzed. New unstable orbits, in the first part of the Group I orbits and in the resonance region of the Group II orbits, are found. It is shown that an increase in the defocusing effect of self-fields will widen the unstable orbits. An anomalous self-field regime is found where an increase in the defocusing effect of self-fields can have stabilizing effect on the resonance region

  1. Effective detection method for falls according to the distance between two tri-axial accelerometers

    Science.gov (United States)

    Kim, Jae-Hyung; Park, Geun-Chul; Kim, Soo-Hong; Kim, Soo-Sung; Lee, Hae-Rim; Jeon, Gye-Rok

    2016-04-01

    Falls and fall-related injuries are a significant problem in the elderly population. A number of different approaches for detecting falls and activities of daily living (ADLs) have been conducted in recent years. However, distinguishing between real falls and certain fall-like ADL is often difficult. The aim of this study is to discriminate falls from fall-like ADLs such as jogging, jumping, and jumping down. The distance between two tri-axial accelerometers attached to the abdomen and the sternum was increased from 10 to 30 cm in 10-cm intervals. Experiments for falls and ADLs were performed to investigate the feasibility of the detection system for falls developed in this study. When the distances between the two tri-axial electrometers were 20 and 30 cm, fall-like ADLs were effectively distinguished from falls. The thresholds for three parameters — SVM, Diff Z, and Sum_diff_Z — were set; falls could be distinguished from ADL action sequences when the SVM value was larger than 4 g (TH1), the Diff_Z parameter was larger than 1.25 g (TH2), and the Sum_diff_Z parameter was larger than 15 m/s (TH3). In particular, when the SVM, Diff_Z, and Sum_diff_Z parameter were sequentially applied to thresholds (TH1, TH2, and TH3), fall-like ADL action sequences were accurately discriminated from falls.

  2. Steroid receptors and their ligands: Effects on male gamete functions

    International Nuclear Information System (INIS)

    Aquila, Saveria; De Amicis, Francesca

    2014-01-01

    In recent years a new picture of human sperm biology is emerging. It is now widely recognized that sperm contain nuclear encoded mRNA, mitochondrial encoded RNA and different transcription factors including steroid receptors, while in the past sperm were considered incapable of transcription and translation. One of the main targets of steroid hormones and their receptors is reproductive function. Expression studies on Progesterone Receptor, estrogen receptor, androgen receptor and their specific ligands, demonstrate the presence of these systems in mature spermatozoa as surface but also as nuclear conventional receptors, suggesting that both systemic and local steroid hormones, through sperm receptors, may influence male reproduction. However, the relationship between the signaling events modulated by steroid hormones and sperm fertilization potential as well as the possible involvement of the specific receptors are still controversial issues. The main line of this review highlights the current research in human sperm biology examining new molecular systems of response to the hormones as well as specific regulatory pathways controlling sperm cell fate and biological functions. Most significant studies regarding the identification of steroid receptors are reported and the mechanistic insights relative to signaling pathways, together with the change in sperm metabolism energy influenced by steroid hormones are discussed.The reviewed evidences suggest important effects of Progesterone, Estrogen and Testosterone and their receptors on spermatozoa and implicate the involvement of both systemic and local steroid action in the regulation of male fertility potential. - Highlights: • One of the main targets of steroid hormones and their receptors is reproductive function. • Pg/PR co-work to stimulate enzymatic activities to sustain a capacitation process. • E2/ERs regulate sperm motility, capacitation and acrosome reaction and act as survival factors. • Androgens

  3. Steroid receptors and their ligands: Effects on male gamete functions

    Energy Technology Data Exchange (ETDEWEB)

    Aquila, Saveria; De Amicis, Francesca, E-mail: francesca.deamicis@unical.it

    2014-11-01

    In recent years a new picture of human sperm biology is emerging. It is now widely recognized that sperm contain nuclear encoded mRNA, mitochondrial encoded RNA and different transcription factors including steroid receptors, while in the past sperm were considered incapable of transcription and translation. One of the main targets of steroid hormones and their receptors is reproductive function. Expression studies on Progesterone Receptor, estrogen receptor, androgen receptor and their specific ligands, demonstrate the presence of these systems in mature spermatozoa as surface but also as nuclear conventional receptors, suggesting that both systemic and local steroid hormones, through sperm receptors, may influence male reproduction. However, the relationship between the signaling events modulated by steroid hormones and sperm fertilization potential as well as the possible involvement of the specific receptors are still controversial issues. The main line of this review highlights the current research in human sperm biology examining new molecular systems of response to the hormones as well as specific regulatory pathways controlling sperm cell fate and biological functions. Most significant studies regarding the identification of steroid receptors are reported and the mechanistic insights relative to signaling pathways, together with the change in sperm metabolism energy influenced by steroid hormones are discussed.The reviewed evidences suggest important effects of Progesterone, Estrogen and Testosterone and their receptors on spermatozoa and implicate the involvement of both systemic and local steroid action in the regulation of male fertility potential. - Highlights: • One of the main targets of steroid hormones and their receptors is reproductive function. • Pg/PR co-work to stimulate enzymatic activities to sustain a capacitation process. • E2/ERs regulate sperm motility, capacitation and acrosome reaction and act as survival factors. • Androgens

  4. Differential effects of EGFR ligands on endocytic sorting of the receptor

    DEFF Research Database (Denmark)

    Roepstorff, Kirstine; Grandal, Michael Vibo; Henriksen, Lasse

    2009-01-01

    signalling and is a more potent mitogen than EGF. In addition to EGF and TGF-alpha, five EGFR ligands have been identified. Although many of these ligands are upregulated in cancers, very little is known about their effect on EGFR trafficking. We have compared the effect of six different ligands on endocytic...... trafficking of EGFR. We find that, whereas they all stimulate receptor internalization, they have very diverse effects on endocytic sorting. Heparin-binding EGF-like growth factor and Betacellulin target all EGFRs for lysosomal degradation. In contrast, TGF-alpha and epiregulin lead to complete receptor...

  5. Second harmonic generation of off axial vortex beam in the case of walk-off effect

    Science.gov (United States)

    Chen, Shunyi; Ding, Panfeng; Pu, Jixiong

    2016-07-01

    Process of off axial vortex beam propagating in negative uniaxial crystal is investigated in this work. Firstly, we get the formulae of the normalized electric field and calculate the location of vortices for second harmonic beam in two type of phase matching. Then, numerical analysis verifies that the intensity distribution and location of vortices of the first order original vortex beam depend on the walk-off angle and off axial magnitude. It is shown that, in type I phase matching, the distribution of vortices is symmetrical about the horizontal axis, the separation distance increases as the off axial magnitude increases or the off axial magnitude deceases. However, in type II phase matching, the vortices are symmetrical along with some vertical axis, and increase of the walk-off angle or off axial magnitude leads to larger separation distance. Finally, the case of high order original off axial vortex beam is also investigated.

  6. Effect of gyroviscosity on the small axial wavelength internal kink instability in the Z-pinch

    International Nuclear Information System (INIS)

    Scheffel, J.; Faghihi, M.

    1987-03-01

    The effect of ion gyroviscosity on the stability of m=1 small axial wavelength kinks in a z-pinch with purely poloidal magnetic field is investigated by normal mode methods. We use the Incompressible FLR MHD model; a collisionless fluid model introduced to include Finite Larmor Radius effects. For vanishing Larmor radius, a stability criterion which coincides with that of ideal MHD is found; the Kadomtsev criterion 2rdp/dr+m/sp2/B/sp2///my//sb0/> or = 0. This criterion predicts instability unless the current density becomes singular at the centre of the pinch. When the Larmor radius terms of the ion pressure tensor are included, we find that marginally unstable (ideal) modes are stabilized. (authors)

  7. Effective radiation dose from semicoronal CT of the sacroiliac joints in comparison with axial CT and conventional radiography

    Energy Technology Data Exchange (ETDEWEB)

    Jurik, Anne Grethe; Boecker Puhakka, Katriina [Department of Radiology R, Aarhus University Hospital, Aarhus Kommunehospital, Noerrebrogade 44, 8000 Aarhus C (Denmark); Hansen, Jolanta [Department of Medical Physics, Aarhus University Hospital, Aarhus Kommunehospital, Noerrebrogade 44, 8000 Aarhus C (Denmark)

    2002-11-01

    The aim of this study was to evaluate the radiation dose given by semicoronal CT of the sacroiliac joints (SIJs) in comparison with axial CT and conventional radiography. The total effective radiation doses given by serial contiguous semicoronal and axial CT, using 5-mm slices, 120 kV and 330 mAs, were determined by measurement of organ doses using an anthropomorphic Rando Alderson phantom paced with thermoluminescence dosimeters. The doses given by conventional antero-posterior (AP) and oblique projections of the SIJs were determined similarly. In a female the total effective dose by semicoronal CT was found to be more than six times lower than by axial CT and 2.5 times lower than the dose use to obtain a conventional AP radiograph, the values being 102, 678, and 255 {mu}Sv, respectively. The effective dose by semicoronal CT was only a little higher than the dose given to obtain two oblique radiographs. In a male with lead protection of the gonads the dose by semicoronal CT was four times lower than by axial CT, but higher than by conventional radiography. In conclusion, the effective dose by semicoronal CT of the SIJs is lower than by axial CT, and in females a semicoronal CT implies a lower effective radiation dose that used to obtain an AP radiograph. (orig.)

  8. Effect of the strange axial form factor on structure functions for neutral current neutrino scattering in the quasielastic region

    International Nuclear Information System (INIS)

    Kim, Kyungsik

    2011-01-01

    We study the effect of the strange axial form factor on various structure functions for the neutral reaction of neutrino-nucleus scattering in the quasielastic region within the framework of a relativistic single particle model. We use 12 C as the target nucleus, and the incident neutrino energy range is between 150 MeV and 1.5 GeV. The structure functions are extracted at a fixed three momentum transfer and energy transfer by using the intrinsic helicity of neutrino. While the effect of the strange axial form factor is very small, the effect on various structure functions is exhibited explicitly.

  9. Axial slit wall effect on the flow instability and heat transfer in rotating concentric cylinders

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Dong; Chao, Chang Qing; Wang, Ying Ze; Zhu, Fang Neng [School of Energy and Power Engineering, Jiangsu University, Zhenjiang (China); Kim, Hyoung Bum [School of Mechanical and Aerospace Engineering, Gyeongsang National University, Jinju (Korea, Republic of)

    2016-12-15

    The slit wall effect on the flow instability and heat transfer characteristics in Taylor-Couette flow was numerically studied by changing the rotating Reynolds number and applying the negative temperature gradient. The concentric cylinders with slit wall are seen in many rotating machineries. Six different models with the slit number 0, 6, 9, 12, 15 and 18 were investigated in this study. The results show the axial slit wall enhances the Taylor vortex flow and suppresses the azimuthal variation of wavy Taylor vortex flow. When negative temperature gradient exists, the results show that the heat transfer augmentation appears from laminar Taylor vortex to turbulent Taylor flow regime. The heat transfer enhancement become stronger as increasing the Reynolds number and slit number. The larger slit number model also accelerates the flow transition regardless of the negative temperature gradient or isothermal condition.

  10. Axial slit wall effect on the flow instability and heat transfer in rotating concentric cylinders

    International Nuclear Information System (INIS)

    Liu, Dong; Chao, Chang Qing; Wang, Ying Ze; Zhu, Fang Neng; Kim, Hyoung Bum

    2016-01-01

    The slit wall effect on the flow instability and heat transfer characteristics in Taylor-Couette flow was numerically studied by changing the rotating Reynolds number and applying the negative temperature gradient. The concentric cylinders with slit wall are seen in many rotating machineries. Six different models with the slit number 0, 6, 9, 12, 15 and 18 were investigated in this study. The results show the axial slit wall enhances the Taylor vortex flow and suppresses the azimuthal variation of wavy Taylor vortex flow. When negative temperature gradient exists, the results show that the heat transfer augmentation appears from laminar Taylor vortex to turbulent Taylor flow regime. The heat transfer enhancement become stronger as increasing the Reynolds number and slit number. The larger slit number model also accelerates the flow transition regardless of the negative temperature gradient or isothermal condition

  11. Piezoresistive effect of the carbon nanotube yarn embedded axially into the 3D braided composite

    Science.gov (United States)

    Ma, Xin; Cao, Xiaona

    2018-06-01

    A new method for monitoring 3D braided composite structure health in real time by embedding the carbon nanotube yarn, based on its piezoresistivity, in the composite axially has been designed. The experimental system for piezoresistive effect detection of the carbon nanotube yarn in the 3D braided composite was built, and the sensing characteristics has been analyzed for further research. Compared with other structural health monitoring methods, the monitoring technique with carbon nanotubes yarns is more suitable for internal damage detection immediately, in addition the strength of the composite can be increased by embedding carbon nanotubes yarns. This method can also be used for strain sensing, the development of intelligent materials and structure systems.

  12. Mean Stress Effect on the Axial Fatigue Strength of DIN 34CrNiMo6 Quenched and Tempered Steel

    Directory of Open Access Journals (Sweden)

    Luis Pallarés-Santasmartas

    2018-03-01

    Full Text Available The present study consists of a theoretical and experimental investigation of the effect of axial mean stresses on the high cycle fatigue behaviour of DIN 34CrNiMo6 high strength steel in quenched and tempered conditions. The axial S-N curves under 4 different stresses ratios were obtained. Experimental results show that increasing the value of the tension mean stresses gradually reduces the axial stress amplitude the material can withstand without failure. Moreover, the compressive mean stresses show a beneficial effect in terms of the axial fatigue strength, resulting in a non-symmetrical Haigh diagram. A historic review of the axial mean stress effect is presented, showing the shape of the Haigh diagrams for ductile metals and presenting the most-known empirical and physical theories. The results for this steel are compared with the physical theories of Findley based on the critical plane; the Froustey’s and Marin’s methods, based on energetic theories; and the Crossland invariants method based on the Gough’s theory of fatigue damage. Taking into account the experimental results, a physical fatigue function based on energetic considerations is proposed. Its application to the fatigue case with mean stresses can be interpreted in terms of a balance of elastic energies of distortion and volume change. Macro-analyses of specimen fracture appearance were conducted in order to obtain the fracture characteristics for different mean stress values.

  13. The effect of body position and axial load on spinal canal morphology: an MRI study of central spinal stenosis

    DEFF Research Database (Denmark)

    Madsen, Rasmus; Jensen, Tue Secher; Pope, Malcolm

    2007-01-01

    STUDY DESIGN: A method comparison study. OBJECTIVE: To investigate the effect of body position and axial load of the lumbar spine on disc height, lumbar lordosis, and dural sac cross-sectional area (DCSA). SUMMARY OF BACKGROUND DATA.: The effects of flexion and extension on spinal canal diameters...... with applied axial loading. Disc height, lumbar lordosis, and DCSA were measured and the different positions were compared. RESULTS: In section 1, the only significant difference between positions was a reduced lumbar lordosis during standing when compared with lying (P = 0.04), most probably a consequence...

  14. BWR AXIAL PROFILE

    International Nuclear Information System (INIS)

    Huffer, J.

    2004-01-01

    The purpose of this calculation is to develop axial profiles for estimating the axial variation in burnup of a boiling water reactor (BWR) assembly spent nuclear fuel (SNF) given the average burnup of an assembly. A discharged fuel assembly typically exhibits higher burnup in the center and lower burnup at the ends of the assembly. Criticality safety analyses taking credit for SNF burnup must account for axially varying burnup relative to calculations based on uniformly distributed assembly average burnup due to the under-burned tips. Thus, accounting for axially varying burnup in criticality analyses is also referred to as accounting for the ''end effect'' reactivity. The magnitude of the reactivity change due to ''end effect'' is dependent on the initial assembly enrichment, the assembly average burnup, and the particular axial profile characterizing the burnup distribution. The set of bounding axial profiles should incorporate multiple BWR core designs and provide statistical confidence (95 percent confidence that 95 percent of the population is bound by the profile) that end nodes are conservatively represented. The profiles should also conserve the overall burnup of the fuel assembly. More background on BWR axial profiles is provided in Attachment I

  15. Calculating the mean time to capture for tethered ligands and its effect on the chemical equilibrium of bound ligand pairs.

    Science.gov (United States)

    Shen, Lu; Decker, Caitlin G; Maynard, Heather D; Levine, Alex J

    2016-09-01

    We present here the calculation of the mean time to capture of a tethered ligand to the receptor. This calculation is then used to determine the shift in the partitioning between (1) free, (2) singly bound, and (3) doubly bound ligands in chemical equilibrium as a function of the length of the tether. These calculations are used in the research article Fibroblast Growth Factor 2 Dimer with Superagonist in vitro Activity Improves Granulation Tissue Formation During Wound Healing (Decker et al., in press [1]) to explain quantitatively how changes in polymeric linker length in the ligand dimers modifies the efficacy of these molecules relative to that of free ligands.

  16. Thermo-Kinetic Investigation of Comparative Ligand Effect on Cysteine Iron Redox Reaction

    Directory of Open Access Journals (Sweden)

    Masood Ahmad Rizvi

    2015-03-01

    Full Text Available Transition metal ions in their free state bring unwanted biological oxidations generating oxidative stress. The ligand modulated redox potential can be indispensable in prevention of such oxidative stress by blocking the redundant bio-redox reactions. In this study we investigated the comparative ligand effect on the thermo-kinetic aspects of biologically important cysteine iron (III redox reaction using spectrophotometric and potentiometric methods. The results were corroborated with the complexation effect on redox potential of iron(III-iron(II redox couple. The selected ligands were found to increase the rate of cysteine iron (III redox reaction in proportion to their stability of iron (II complex (EDTA < terpy < bipy < phen. A kinetic profile and the catalytic role of copper (II ions by means of redox shuttle mechanism for the cysteine iron (III redox reaction in presence of 1,10-phenanthroline (phen ligand is also reported.

  17. Effects of axial gap and nozzle distribution on aerodynamic forces of a supersonic partial-admission turbine

    Directory of Open Access Journals (Sweden)

    Jinpeng JIANG

    2017-12-01

    Full Text Available The turbine in an LH2/LOX rocket engine is designed as a two-stage supersonic partial-admission turbine. Three-dimensional steady and unsteady simulations were conducted to analyze turbine performance and aerodynamic forces on rotor blades. Different configurations were employed to investigate the effects of the axial gap and nozzle distribution on the predicted performance and aerodynamic forces. Rotor blades experience unsteady aerodynamic forces because of the partial admission. Aerodynamic forces show periodicity in the admission region, and are close to zero after leaving the admission region. The unsteady forces in frequency domain indicate that components exist in a wide frequency region, and the admission passing frequency is dominant. Those multiples of the rotational frequency which are multiples of the nozzle number in a full-admission turbine are notable components. Results show that the turbine efficiency decreases as the axial gap between nozzles and the 1st stage rotor (rotor 1 increases. Fluctuation of the circumferential aerodynamic force on rotor 1 blades decreases with the axial gap increasing. The turbine efficiency decreases as the circumferential spacing between nozzles increases. Fluctuations of the circumferential and axial aerodynamic forces increase as the circumferential spacing increases. As for the non-equidistant nozzle distribution, it produces similar turbine performance and amplitude-frequency characteristics of forces to those of the normal configuration, when the mean spacing is equal to that of the normal case. Keywords: Aerodynamic force, Axial gap, Computational fluid dynamics (CFD, Nozzle distribution, Partial admission, Turbine

  18. Thermo-Kinetic Investigation of Comparative Ligand Effect on Cysteine Iron Redox Reaction

    OpenAIRE

    Rizvi, Masood Ahmad; Teshima, Norio; Maqsood, Syed Raashid; Akhoon, Showket Ahmad; Peerzada, Ghulam Mustafa

    2015-01-01

    Transition metal ions in their free state bring unwanted biological oxidations generating oxidative stress. The ligand modulated redox potential can be indispensable in prevention of such oxidative stress by blocking the redundant bio-redox reactions. In this study we investigated the comparative ligand effect on the thermo-kinetic aspects of biologically important cysteine iron (III) redox reaction using spectrophotometric and potentiometric methods. The results were corroborated...

  19. Sensitivity analysis of power depression and axial power factor effect on fuel pin to temperature and related properties distribution

    International Nuclear Information System (INIS)

    Suwardi, S.

    2001-01-01

    The presented paper is a preliminary step to evaluate the effect of radial and axial distribution of power generation on thermal analysis of whole fuel pin model with large L/D ratio. The model takes into account both radial and axial distribution of power generation due to power depression and core geometry, temperature and microstructure dependent on thermal conductivity. The microstructure distribution and the gap conductance for typical steady-state situation are given for the sensitivity analysis. The temperature and thermal conductivity distribution along the radial and axial directions obtained by different power distribution is used to indicate the sensitivity of power depression and power factor on thermal aspect. The evaluation is made for one step of incremental time and steady state approach is used. The analysis has been performed using a finite element-finite difference model. The result for typical reactor fuel shows that the sensitivity is too important to be omitted in thermal model

  20. Effects of the combined action of axial and transversal loads on the failure time of a wooden beam under fire

    International Nuclear Information System (INIS)

    Nubissie, A.; Kingne Talla, E.; Woafo, P.

    2012-01-01

    Highlights: ► A wooden beam submitted to fire and axial and transversal loads is considered. ► The failure time is found to increase with the intensity of the loads. ► Implication for safety consideration is indicated. -- Abstract: This paper presents the variations of the failure time of a wooden beam (Baillonella toxisperma also called Moabi) in fire subjected to the combined effect of axial and transversal loads. Using the recommendation of the structural Eurocodes that the failure can occur when the deflection attains 1/300 of the length of the beam or when the bending moment attains the resistant moment, the partial differential equation describing the beam dynamics is solved numerically and the failure time calculated. It is found that the failure time decreases when either the axial or transversal loads increases.

  1. The effect of forward skewed rotor blades on aerodynamic and aeroacoustic performance of axial-flow fan

    Science.gov (United States)

    Wei, Jun; Zhong, Fangyuan

    Based on comparative experiment, this paper deals with using tangentially skewed rotor blades in axial-flow fan. It is seen from the comparison of the overall performance of the fan with skewed bladed rotor and radial bladed rotor that the skewed blades operate more efficiently than the radial blades, especially at low volume flows. Meanwhile, decrease in pressure rise and flow rate of axial-flow fan with skewed rotor blades is found. The rotor-stator interaction noise and broadband noise of axial-flow fan are reduced with skewed rotor blades. Forward skewed blades tend to reduce the accumulation of the blade boundary layer in the tip region resulting from the effect of centrifugal forces. The turning of streamlines from the outer radius region into inner radius region in blade passages due to the radial component of blade forces of skewed blades is the main reason for the decrease in pressure rise and flow rate.

  2. Effects of Wavenumber and Chirality on the Axial Compressive Behavior of Wavy Carbon Nanotubes: A Molecular Mechanics Study

    Directory of Open Access Journals (Sweden)

    Masaki Kawachi

    2014-01-01

    Full Text Available The effects of wavenumber and chirality on the axial compressive behavior and properties of wavy carbon nanotubes (CNTs with multiple Stone-Wales defects are investigated using molecular mechanics simulations with the adaptive intermolecular reactive empirical bond-order potential. The wavy CNTs are assumed to be point-symmetric with respect to their axial centers. It is found that the wavy CNT models, respectively, exhibit a buckling point and long wavelength buckling mode regardless of the wavenumbers and chiralities examined. It is also found that the wavy CNTs have nearly the same buckling stresses as their pristine straight counterparts.

  3. An effect of downcomer feedwater fraction on steam generator performance with an axial flow economizer

    International Nuclear Information System (INIS)

    Jung, Byung Ryul; Park, Hu Shin; Chung, Duk Muk; Baik, Se Jin

    2000-01-01

    The effects of feedwater flow fraction introduced into the downcomer region have been evaluated in terms of steam generator performance based on the same steam generator thermal output for the Korea Standard Nuclear Power Plant (KSNP) steam generator. The KSNP steam generator design has an integral axial flow economizer which is designed such that most of the feedwater is introduced through the economizer region and only a portion of feedwater through the downcomer region. The feedwater flow introduced into the downcomer region is not normally controlled during the power operation. However, the actual feedwater fraction into the downcomer region may differ from the design flow depending on the as-built system and component characteristics. Investigated in this paper were the downcomer feedwater flow effects on the steam pressure, circulation ratio, internal void fraction and velocity distribution in the tube bundle region at the steady state operation using SAFE and ATHOS3 codes. The results show that the steam pressure increases and the resultant total feedwater flow increases with reducing the downcomer feedwater flow fraction for the same steam generator thermal output. The slight off-design condition of downcomer feedwater flow fraction renders no significant effect on the steam generator performance such as circulation ratios, steam qualities, void fractions and internal velocity distributions. The evaluation shows that the slight off-design downcomer feedwater flow fraction deviation up to ± 5% is acceptable for the steam generator performance

  4. The effect of introduction of axial cineangiography and echocardiography on contrast and radiation doses during cardiac catheterisation

    International Nuclear Information System (INIS)

    Sweet, E.M.; McLardy, J.L.

    1984-01-01

    The effects of routine preliminary echocardiography and adoption of axial cine angiography in a Paediatric Cardiac Investigation Centre were assessed in relation to contrast volume, fluoroscopy time and radiation dose. The results showed a significant increase in radiation dose with some reduction in fluoroscopy time in neonates and some increase in contrast volume used in infants [fr

  5. Effects of decreased muscle activity on developing axial musculature in nic b107 mutant zebrafish (Danio rerio)

    NARCIS (Netherlands)

    Meulen, van der T.; Schipper, H.; Leeuwen, van J.L.; Kranenbarg, S.

    2005-01-01

    The present paper discusses the effects of decreased muscle activity (DMA) on embryonic development in the zebrafish. Wild-type zebrafish embryos become mobile around 18 h post-fertilisation, long before the axial musculature is fully differentiated. As a model for DMA, the nicb107 mutant was used.

  6. Effects of a novel, selective, sigma1-ligand, MS-377, on phencyclidine-induced behaviour.

    Science.gov (United States)

    Takahashi, S; Takagi, K; Horikomi, K

    2001-07-01

    Phencyclidine (PCP)-induced head-weaving is inhibited by a novel selective sigma1-ligand, (R)-(+)-1-(4-chlorophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]methyl-2-pyrrolidinone L-tartrate (MS-377), but not by dopamine D2 antagonists. In the present study, we examined the effects of two potent and selective sigma1-ligands, MS-377 and N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl) ethylamine (NE-100), on PCP-induced rearing behaviour, hyperlocomotion and ataxia in comparison with the currently available antipsychotic agents with affinity for D2 receptors, haloperidol, sultopride and risperidone. Male Wistar rats or ddY mice were administered MS-377, NE-100, haloperidol, sultopride or risperidone, and PCP was administered 60 min later (in the case of NE-100 10 min later). Rearing behaviour, hyperlocomotion and ataxia were examined 10 min after PCP administration. MS-377, haloperidol, sultopride and risperidone dose-dependently inhibited PCP-induced rearing and hyperlocomotion, but did not antagonize PCP-induced ataxia. In contrast, the other selective sigma1-ligand, NE-100, did not affect any of the PCP-induced behaviour patterns in this study. These results suggest that there are at least two types of ligands for sigma1-receptors and that some sigma1-ligands, including MS-377, have more comprehensive effects against PCP-induced abnormal behaviour than other sigma1-ligands or D2 antagonists.

  7. Reverse depletion effects and the determination of ligand density on some spherical bioparticles

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Chunxiang [Heilongjiang Bayi Agricultural University (China); Liu, Yanhui, E-mail: ionazati@itp.ac.cn; Fan, Yangtao; Liu, Yijun; Li, Qiancheng; Xu, Houqiang, E-mail: houqiangxu@yahoo.com [Guizhou University (China)

    2016-06-15

    In cell environments crowded with macromolecules, the depletion effects act and assist in the assembly of a wide range of cellular structures, from the cytoskeleton to the chromatin loop, which are well accepted. But a recent quantum dot experiment indicated that the dimensions of the receptor–ligand complex have strong effects on the size-dependent exclusion of proteins in cell environments. In this article, a continuum elastic model is constructed to resolve the competition between the dimension of the receptor–ligand complex and depletion effects in the endocytosis of a spherical virus-like bioparticle. Our results show that the depletion effects do not always assist endocytosis of a spherical virus-like bioparticle; while the dimension of the ligand–receptor complex is larger than the size of a small bioparticle in cell environments, the depletion effects do not work and reverse effects appear. The ligand density covered on the virus can be identified quantitatively.

  8. Blade bowing effects on radial equilibrium of inlet flow in axial compressor cascades

    Directory of Open Access Journals (Sweden)

    Han XU

    2017-10-01

    Full Text Available The circumferentially averaged equation of the inlet flow radial equilibrium in axial compressor was deduced. It indicates that the blade inlet radial pressure gradient is closely related to the radial component of the circumferential fluctuation (CF source item. Several simplified cascades with/without aerodynamic loading were numerically studied to investigate the effects of blade bowing on the inlet flow radial equilibrium. A data reduction program was conducted to obtain the CF source from three-dimensional (3D simulation results. Flow parameters at the passage inlet were focused on and each term in the radial equilibrium equation was discussed quantitatively. Results indicate that the inviscid blade force is the inducement of the inlet CF due to geometrical asymmetry. Blade bowing induces variation of the inlet CF, thus changes the radial pressure gradient and leads to flow migration before leading edge (LE in the cascades. Positive bowing drives the inlet flow to migrate from end walls to mid-span and negative bowing turns it to the reverse direction to build a new equilibrium. In addition, comparative studies indicate that the inlet Mach number and blade loading can efficiently impact the effectiveness of blade bowing on radial equilibrium in compressor design.

  9. Effects of energetic coherent motions on the power and wake of an axial-flow turbine

    Science.gov (United States)

    Chamorro, L. P.; Hill, C.; Neary, V. S.; Gunawan, B.; Arndt, R. E. A.; Sotiropoulos, F.

    2015-05-01

    A laboratory experiment examined the effects of energetic coherent motions on the structure of the wake and power fluctuations generated by a model axial-flow hydrokinetic turbine. The model turbine was placed in an open-channel flow and operated under subcritical conditions. The incoming flow was locally perturbed with vertically oriented cylinders of various diameters. An array of three acoustic Doppler velocimeters aligned in the cross-stream direction and a torque transducer were used to collect high-resolution and synchronous measurements of the three-velocity components of the incoming and wake flow as well as the turbine power. A strong scale-to-scale interaction between the large-scale and broadband turbulence shed by the cylinders and the turbine power revealed how the turbulence structure modulates the turbine behavior. In particular, the response of the turbine to the distinctive von Kármán-type vortices shed from the cylinders highlighted this phenomenon. The mean and fluctuating characteristics of the turbine wake are shown to be very sensitive to the energetic motions present in the flow. Tip vortices were substantially dampened and the near-field mean wake recovery accelerated in the presence of energetic motions in the flow. Strong coherent motions are shown to be more effective than turbulence levels for triggering the break-up of the spiral structure of the tip-vortices.

  10. Parameterization of phosphine ligands demonstrates enhancement of nickel catalysis via remote steric effects

    Science.gov (United States)

    Wu, Kevin; Doyle, Abigail G.

    2017-08-01

    The field of Ni-catalysed cross-coupling has seen rapid recent growth because of the low cost of Ni, its earth abundance, and its ability to promote unique cross-coupling reactions. Whereas advances in the related field of Pd-catalysed cross-coupling have been driven by ligand design, the development of ligands specifically for Ni has received minimal attention. Here, we disclose a class of phosphines that enable the Ni-catalysed Csp3 Suzuki coupling of acetals with boronic acids to generate benzylic ethers, a reaction that failed with known ligands for Ni and designer phosphines for Pd. Using parameters to quantify phosphine steric and electronic properties together with regression statistical analysis, we identify a model for ligand success. The study suggests that effective phosphines feature remote steric hindrance, a concept that could guide future ligand design tailored to Ni. Our analysis also reveals that two classic descriptors for ligand steric environment—cone angle and % buried volume—are not equivalent, despite their treatment in the literature.

  11. Stress analysis of fuel claddings with axial fins including creep effects

    International Nuclear Information System (INIS)

    Krieg, R.

    1977-01-01

    For LMFBR fuel claddings with axial fins the stress and strain fields are calculated which may be caused by internal pressure, differential thermal expansion and irradiation induced differential swelling. To provide an appropriate description of the cladding material it is assumed that the total strain is the sum of a linear elastic and a creep term, where the latter one includes the thermal as well as the irradiation induced creep. First the linear elastic problem is treated by a semi-analytical method leading to a bipotential equation for Airys' stress function. Solving this equation analytically means that the field equations valid within the cladding are satisfied exactly. By applying a combined point matching- least square-method the boundary conditions could be satisfied approximately such that in most cases the remaining error is within the uncertainty range of the loading conditions. Then the nonlinear problem which includes creep is approximated by a sequence of linear elastic solutions with time as parameter. The accumulated creep strain is treated here as an imposed strain field. To study the influence of different effects such as fin shape, temperature region, irradiation induced creep and swelling or internal pressure, a total of eleven cases with various parameter variations are investigated. The results are presented graphically in the following forms: stress and strain distributions over the cladding cross section for end of life conditions and boundary stresses and strains versus time. (Auth.)

  12. Effect of Surface Texturing Parameters on the Lubrication Characteristics of an Axial Piston Pump Valve Plate

    Directory of Open Access Journals (Sweden)

    Zhaoqiang Wang

    2018-05-01

    Full Text Available In this article, a geometrical model of different microtextures is established for an axial piston pump valve plate. A finite differential method was used to solve the Reynolds equation for the oil film thickness and pressure, which were simulated under different microtextures. The influence of microtexture shape and structure on performance was studied and optimal parameters sought. Different convergence gaps are formed by different microtexture radii, and they produce different hydrodynamic effects. The lubrication characteristics of the valve plate are better when a microtexture is used and are influenced by the type of microtexture. We reached the following conclusions: (1 The lubrication characteristics of the valve plate are influenced by different microtexture parameters and can be improved by optimizing the microtexture parameters; (2 There is an optimal parameter combination when adding microtexture with three shapes (spherical, cylindrical and square and the optimal dimensionless oil film pressure lubrication characteristics can be obtained; (3 The degree of improvement in the dimensionless oil film pressure lubrication characteristics was (listed from highest to lowest: micro-hemispherical texture > micro-cylindrical texture > micro-square texture.

  13. Goldstone boson condensation and effects of the axial anomaly in color superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Basler, Hannes Gregor Steffen

    2011-01-12

    One of the central objects of interest in high energy physics is the phase diagram of strongly interacting matter, the behavior of quarks and gluons in dependence of temperature and chemical potential. At very high densities and low temperatures it is expected that quarks form a superconductor, the so-called color superconductor. Such a color superconductor might be realized in the inner core of a neutron star. To study the phase structure of a color superconductor under neutron star conditions the Nambu-Jona-Lasinio model is used. The diquark condensates appearing in a color superconductor may break the original symmetries and give rise to Goldstone bosons. In this work we study the possible condensation of these Goldstone bosons. On the level of diquark condensates the condensation of Goldstone bosons is realized by a rotation of scalar into pseudoscalar diquark condensates. The phase diagram is studied, including pseudoscalar diquark condensates, for several different values of the lepton number chemical potential. The masses and thereby the condensation of the Goldstone bosons is effected by a six-point interaction that breaks the axial U(1) symmetry. Usually this six-point interaction is implemented in the NJL model in such a way that is does not effect the diquark sector. This can be fixed by adding an second six-point interaction term to the NJL Lagrangian. The coupling strength of this new interaction term has a great influence on the phase digram. In this context also the effect on the chiral phase transition is studied. (orig.)

  14. The effect of sheared axial flow on nonlinear Z-pinch dynamics

    International Nuclear Information System (INIS)

    Kassapakis, N.

    2000-01-01

    A two dimensional Eulerian fluid code has been used to study three problems related to Z-pinch and laser produced plasmas. a) The nonlinear evolution of a localised m=0 MHD mode neck is studied in order to extract some scaling laws for the size and form of the artificial neck. We examine whether the ubiquitous m=0 instability could be beneficially used to assist in the formation of a transient localised dense plasma. The results obtained were in satisfactory agreement with experiments and other theoretical work where available. b) The development of the m=0 instability on a Z-pinch although beneficial in the previous case, is detrimental from a stability point of view and thus to the utilisation of the device as a fusion reactor by itself. This is because the timescales of the instability development are faster than the confinement time needed for fusion to occur. Sheared axial flow is a proposed mechanism for the non-linear saturation of this particular instability. Indeed the linear growth rate also can be substantially reduced. It is hoped that it can inhibit the growth of the instabilities or at least delay their development sufficiently for fusion to take place. The numerical study of the effect of sheared axial flow on the nonlinear dynamics of the Z-pinch carried out, demonstrates that sheared flow with velocity u z z >4 Alfven speed other modes, of the Kelvin-Helmholtz type, are excited which take over from the fastest growing mode in the static case. c) The expansion of the ablated plasma in laser-solid interactions is an important phenomenon for a plethora of reasons one of which is ICF. The simulations were in direct agreement with previous experimental work regarding the bulk properties of the ablation surface. They also provided justification for some assumptions made during the analysis of the observations and helped to confirm the calibration of the diagnostics timewise. The most striking feature of the experiments, namely the density dip on the

  15. Premolar Axial Wall Height Effect on CAD/CAM Crown Retention

    Science.gov (United States)

    2016-05-24

    OC axial wall height was required in a study that involved zirconia copings cemented on stainless steel dies. The results of this study reinforced...surface area was determined using a digital measuring microscope (Hirox). Scanned preparations (CEREC) were fitted with e.max CAD crowns and cemented ...Figure 14. RelyX Unicem Cementation

  16. The Effect of Gestational Age on Axial Length of the Eyes of Premature Infants

    Directory of Open Access Journals (Sweden)

    Mehmet Ali Sekeroglu

    2016-01-01

    Full Text Available Aim: The aim of the present study is to evaluate the axial length of the eyes of premature infants without retinopathy of prematurity and to document the relationship with gestational age and changes as infants grew-up. Material and Method: The axial length of the eyes were measured by using a mobile A-scan ultrasonographic biometry device just before the first retinopathy of prematurity screening examination and 4-weeks thereafter. Results: One-hundred and thirty-six infants with a mean gestational age of 31,7±2,7 weeks and a birth-weight of 1561.0±379.3 g were included in the study. Axial length measurements were done at a mean postconceptional age of 35.8 ±2.6 (31-40 and 39.8±2.7 (35-44 weeks, consecutively. The mean axial length at first and second visits were 16.43±0.42 mm (15.28-17.13 and 16.69±0.41 mm (15.60-17.70, consecutively (p

  17. Rat disc torsional mechanics: effect of lumbar and caudal levels and axial compression load.

    Science.gov (United States)

    Espinoza Orías, Alejandro A; Malhotra, Neil R; Elliott, Dawn M

    2009-03-01

    Rat models with altered loading are used to study disc degeneration and mechano-transduction. Given the prominent role of mechanics in disc function and degeneration, it is critical to measure mechanical behavior to evaluate changes after model interventions. Axial compression mechanics of the rat disc are representative of the human disc when normalized by geometry, and differences between the lumbar and caudal disc have been quantified in axial compression. No study has quantified rat disc torsional mechanics. Compare the torsional mechanical behavior of rat lumbar and caudal discs, determine the contribution of combined axial load on torsional mechanics, and compare the torsional properties of rat discs to human lumbar discs. Cadaveric biomechanical study. Cyclic torsion without compressive load followed by cyclic torsion with a fixed compressive load was applied to rat lumbar and caudal disc levels. The apparent torsional modulus was higher in the lumbar region than in the caudal region: 0.081+/-0.026 (MPa/degrees, mean+/-SD) for lumbar axially loaded; 0.066+/-0.028 for caudal axially loaded; 0.091+/-0.033 for lumbar in pure torsion; and 0.056+/-0.035 for caudal in pure torsion. These values were similar to human disc properties reported in the literature ranging from 0.024 to 0.21 MPa/degrees. Use of the caudal disc as a model may be appropriate if the mechanical focus is within the linear region of the loading regime. These results provide support for use of this animal model in basic science studies with respect to torsional mechanics.

  18. A Simplified Model for the Effect of Weld-Induced Residual Stresses on the Axial Ultimate Strength of Stiffened Plates

    Science.gov (United States)

    Chen, Bai-Qiao; Guedes Soares, C.

    2018-03-01

    The present work investigates the compressive axial ultimate strength of fillet-welded steel-plated ship structures subjected to uniaxial compression, in which the residual stresses in the welded plates are calculated by a thermo-elasto-plastic finite element analysis that is used to fit an idealized model of residual stress distribution. The numerical results of ultimate strength based on the simplified model of residual stress show good agreement with those of various methods including the International Association of Classification Societies (IACS) Common Structural Rules (CSR), leading to the conclusion that the simplified model can be effectively used to represent the distribution of residual stresses in steel-plated structures in a wide range of engineering applications. It is concluded that the widths of the tension zones in the welded plates have a quasi-linear behavior with respect to the plate slenderness. The effect of residual stress on the axial strength of the stiffened plate is analyzed and discussed.

  19. The Effect of Precursor Ligands and Oxidation State in the Synthesis of Bimetallic Nano-Alloys

    KAUST Repository

    LaGrow, Alec P.; Knudsen, Kristian; AlYami, Noktan; Anjum, Dalaver H.; Bakr, Osman

    2015-01-01

    of variables on the characteristics of bimetallic nanomaterials are not completely understood. In this study, we used a continuous-flow synthetic strategy to explore the effects of the ligands and the oxidation state of a metal precursor in a shape

  20. Aryl hydrocarbon receptor ligand effects in RBL2H3 cells

    DEFF Research Database (Denmark)

    Maaetoft-Udsen, Kristina; Shimoda, Lori M. N.; Frøkiær, Hanne

    2012-01-01

    The aryl hydrocarbon receptor (AHR) mediates toxic effects of dioxin and xenobiotic metabolism. AHR has an emerging role in the immune system, but its physiological ligands and functional role in immunocytes remain poorly understood. Mast cells are immunocytes that are central to inflammatory...

  1. Effects of Stator Shroud Injection on the Aerodynamic Performance of a Single-Stage Transonic Axial Compressor

    International Nuclear Information System (INIS)

    Dinh, Cong-Truong; Ma, Sang-Bum; Kim, Kwang Yong

    2017-01-01

    In this study, stator shroud injection in a single-stage transonic axial compressor is proposed. A parametric study of the effect of stator shroud injection on aerodynamic performances was conducted using the three-dimensional Reynolds-averaged Navier-Stokes equations. The curvature, length, width, and circumferential angle of the stator shroud injector and the air injection mass flow rate were selected as the test parameters. The results of the parametric study show that the aerodynamic performances of the single-stage transonic axial compressor were improved by stator shroud injection. The aerodynamic performances were the most sensitive to the injection mass flow rate. Further, the total pressure ratio and adiabatic efficiency were the maximum when the ratio of circumferential angle was 10%.

  2. Effects of Stator Shroud Injection on the Aerodynamic Performance of a Single-Stage Transonic Axial Compressor

    Energy Technology Data Exchange (ETDEWEB)

    Dinh, Cong-Truong; Ma, Sang-Bum; Kim, Kwang Yong [Inha Univ., Incheon (Korea, Republic of)

    2017-01-15

    In this study, stator shroud injection in a single-stage transonic axial compressor is proposed. A parametric study of the effect of stator shroud injection on aerodynamic performances was conducted using the three-dimensional Reynolds-averaged Navier-Stokes equations. The curvature, length, width, and circumferential angle of the stator shroud injector and the air injection mass flow rate were selected as the test parameters. The results of the parametric study show that the aerodynamic performances of the single-stage transonic axial compressor were improved by stator shroud injection. The aerodynamic performances were the most sensitive to the injection mass flow rate. Further, the total pressure ratio and adiabatic efficiency were the maximum when the ratio of circumferential angle was 10%.

  3. Effect of Premolar Axial Wall Height on Computer-Aided Design/Computer-Assisted Manufacture Crown Retention.

    Science.gov (United States)

    Martin, Curt; Harris, Ashley; DuVall, Nicholas; Wajdowicz, Michael; Roberts, Howard Wayne

    2018-03-28

    To evaluate the effect of premolar axial wall height on the retention of adhesive, full-coverage, computer-aided design/computer-assisted manufacture (CAD/CAM) restorations. A total of 48 premolar teeth randomized into four groups (n = 12 per group) received all-ceramic CAD/CAM restorations with axial wall heights (AWH) of 3, 2, 1, and 0 mm and 16-degree total occlusal convergence (TOC). Specimens were restored with lithium disilicate material and cemented with self-adhesive resin cement. Specimens were loaded to failure after 24 hours. The 3- and 2-mm AWH specimens demonstrated significantly greater failure load. Failure analysis suggests a 2-mm minimum AWH for premolars with a TOC of 16 degrees. Adhesive technology may compensate for compromised AWH.

  4. Numerical study about the effect of the low Reynolds number on the performance in an axial compressor

    International Nuclear Information System (INIS)

    Choi, Min Suk; Baek, Je Hyun; Chung, Hee Taeg; Oh, Seong Hwan; Ko, Han Young

    2008-01-01

    A three-dimensional computation was conducted to understand effects of the low Reynolds number on the performance in a low-speed axial compressor at the design condition. The low Reynolds number can originates from the change of the air density because it decreases along the altitude in the troposphere. The performance of the axial compressor such as the static pressure rise was diminished by the separation on the suction surface with full span and the boundary layer on the hub, which were caused by the low Reynolds number. The total pressure loss at the low Reynolds number was found to be greater than that at the reference Reynolds number at the region from the hub to 85% span. Total pressure loss was scrutinized through three major loss categories in a subsonic axial compressor such as the profile loss, the tip leakage loss and the endwall loss using Denton's loss model, and the effects of the low Reynolds number on the performance were analyzed in detail

  5. Numerical study about the effect of the low Reynolds number on the performance in an axial compressor

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Min Suk; Baek, Je Hyun [Pohang University of Science and Technology, Pohang (Korea, Republic of); Chung, Hee Taeg [Gyeongsang National University, Jinju (Korea, Republic of); Oh, Seong Hwan; Ko, Han Young [Agency for Defense Development, Daejeon (Korea, Republic of)

    2008-02-15

    A three-dimensional computation was conducted to understand effects of the low Reynolds number on the performance in a low-speed axial compressor at the design condition. The low Reynolds number can originates from the change of the air density because it decreases along the altitude in the troposphere. The performance of the axial compressor such as the static pressure rise was diminished by the separation on the suction surface with full span and the boundary layer on the hub, which were caused by the low Reynolds number. The total pressure loss at the low Reynolds number was found to be greater than that at the reference Reynolds number at the region from the hub to 85% span. Total pressure loss was scrutinized through three major loss categories in a subsonic axial compressor such as the profile loss, the tip leakage loss and the endwall loss using Denton's loss model, and the effects of the low Reynolds number on the performance were analyzed in detail.

  6. The effect of multi-axiality on damage with alternating stress

    International Nuclear Information System (INIS)

    Hug, J.; Zenner, H.; Schram, A.

    1992-01-01

    The aim of this project is a better understanding of the development of damage with multi-axial alternating stress. Hollow samples of the materials X6 CrNiTi 18 0 and Ck 15 are submitted to equal phase, phase displaced and consecutively alternating normal and thrust stresses. The amplitude ratio τ/σ is 1/2. Apart from the service life, the cyclic alternating deformation behaviour and the initiation and prapagation of microcracks are examined. (orig./MM) [de

  7. Effect of finited pressure on plasma stability and particle motion i axial-assymetrical open traps

    International Nuclear Information System (INIS)

    Kotel'nikov, I.A.

    1984-01-01

    Hydrodynamic equilibrium confiqurations of plasma are investigated as well as the processes of cross-section transfer in axial-asymmetrical open traps. It is shown that drift surfaces are essentially deformed allowing for the final β, and, as a rule, the property of local injection is disturbed. But non-injection of particle drift surfaces with different energies and a magnetic moment in a paraxial trap turns out to be small by the perimeter of paraxiallity even at βapproximately1

  8. The Effect of Material Property on the Critical Velocity of Randomly Excited Nonlinear Axially Travelling Functionally Graded Plates

    Directory of Open Access Journals (Sweden)

    M. Abedi

    Full Text Available Abstract In this paper, the critical axial speeds of three types of sigmoid, power law and exponential law functionally graded plates for both isotropic and orthotropic cases are obtained via a completely analytic method. The plates are subjected to lateral white noise excitation and show evidence of large deformations. Due to randomness, the conventional deterministic methods fail and a statistical approach must be selected. Here, the probability density function is evaluated analytically for prescribed plates and used to investigate the critical axial velocity of them. Specifically the effect of in-plane forces, mean value of lateral load and the material property on the critical axial speed are studied and discussed for both isotropic and orthotropic functionally graded plates. Since the governing equation is transformed to a non dimensional format, the results can be used for a wide range of plate dimensions. It is shown that the material heterogeneity palys an essential and significant role in increasing or decreasing the critical speed of both isotropic and orthotropic functionally graded plates.

  9. Axial tomography

    International Nuclear Information System (INIS)

    Brueckner, K.A.; Lewis, J.H.

    1979-01-01

    The invention relates to axial tomography, sometimes referred to as cross-sectional x-ray. The apparatus described may utilize the conventional x-ray or ultrasonic source and detector and scanning mechanism for producing the plurality of sets of radiation detector output signals. It has the means for storing the detector output signals in analog form with the signals of one set overlying the signals of another set so that signals resulting from radiation through a zone of the object being examined are summed at a corresponding zone in the storage device, typically an electronic storage tube. The summed signals are read from the storage device with a radially inversely proportional reader producing a second signal for storage, again typically in an electronic storage tube. These signals stored in the second storage device are read with Laplacian relation, with the resultant sigal being a video signal that may be connected to a TV monitor for display of the sectional image. In alternative embodiments, optical film systems and electrostatic systems are utilized. (JTA)

  10. [Effect of axial stress stimulation on tibial and fibular open fractures healing after Taylor space stent fixation].

    Science.gov (United States)

    Ge, Qihang; Wan, Chunyou; Liu, Yabei; Ji, Xu; Ma, Jihai; Cao, Haikun; Yong, Wei; Liu, Zhao; Zhang, Ningning

    2017-08-01

    To investigate the effect of axial stress stimulation on tibial and fibular open fractures healing after Taylor space stent fixation. The data of 45 cases with tibial and fibular open fractures treated by Taylor space stent fixation who meet the selection criteria between January 2015 and June 2016 were retrospectively analysed. The patients were divided into trial group (23 cases) and control group (22 cases) according to whether the axial stress stimulation was performed after operation. There was no significant difference in gender, age, affected side, cause of injury, type of fracture, and interval time from injury to operation between 2 groups ( P >0.05). The axial stress stimulation was performed in trial group after operation. The axial load sharing ratio was tested, and when the value was less than 10%, the external fixator was removed. The fracture healing time, full weight-bearing time, and external fixator removal time were recorded and compared. After 6 months of external fixator removal, the function of the limb was assessed by Johner-Wruhs criteria for evaluation of final effectiveness of treatment of tibial shaft fractures. There were 2 and 3 cases of needle foreign body reaction in trial group and control group, respectively, and healed after symptomatic anti allergic treatment. All the patients were followed up 8-12 months with an average of 10 months. All the fractures reached clinical healing, no complication such as delayed union, nonunion, or osteomyelitis occurred. The fracture healing time, full weight-bearing time, and external fixator removal time in trial group were significantly shorter than those in control group ( P good in 6 cases, fair in 3 cases, and poor in 1 case in trial group, with an excellent and good rate of 82.6%; and was excellent in 5 cases, good in 10 cases, fair in 4 cases, and poor in 3 cases in control group, with an excellent and good rate of 68.2%, showing significant difference between 2 groups ( Z =-2.146, P =0

  11. Effects of different ligands on epidermal growth factor receptor (EGFR) nuclear translocation

    Energy Technology Data Exchange (ETDEWEB)

    Faria, Jerusa A.Q.A.; Andrade, Carolina de; Goes, Alfredo M. [Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Av. Antonio Carlos, 6627, Belo Horizonte, MG, 31270-901 (Brazil); Rodrigues, Michele A. [Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Av. Antonio Carlos, 6627, Belo Horizonte, MG, 31270-901 (Brazil); Department of General Pathology, Universidade Federal de Minas Gerais, Av. Antonio Carlos, 6627, Belo Horizonte, MG, 31270-901 (Brazil); Gomes, Dawidson A., E-mail: dawidson@ufmg.br [Department of Biochemistry and Immunology, Universidade Federal de Minas Gerais, Av. Antonio Carlos, 6627, Belo Horizonte, MG, 31270-901 (Brazil)

    2016-09-09

    The epidermal growth factor receptor (EGFR) is activated through binding to specific ligands and generates signals for proliferation, differentiation, migration, and cell survival. Recent data show the role of nuclear EGFR in tumors. Although many EGFR ligands are upregulated in cancers, little is known about their effects on EGFR nuclear translocation. We have compared the effects of six EGFR ligands (EGF, HB-EGF, TGF-α, β-Cellulin, amphiregulin, and epiregulin) on nuclear translocation of EGFR, receptor phosphorylation, migration, and proliferation. Cell fractionation and confocal immunofluorescence detected EGFR in the nucleus after EGF, HB-EGF, TGF-α and β-Cellulin stimulation in a dose-dependent manner. In contrast, amphiregulin and epiregulin did not generate nuclear translocation of EGFR. EGF, HB-EGF, TGF-α and β-Cellulin showed correlations between a higher rate of wound closure and increased phosphorylation of residues in the carboxy-terminus of EGFR, compared to amphiregulin and epiregulin. The data indicate that EGFR is translocated to the nucleus after stimulation with EGF, HB-EGF, TGF-α and β-Cellulin, and that these ligands are related to increased phosphorylation of EGFR tyrosine residues, inducing migration of SkHep-1 cells. - Highlights: • EGF, HB-EGF, TGF-α, β-Cellulin are involved in the EGFR nuclear translocation. • Amphiregulin and epiregulin did not promote nuclear translocation of EGFR. • EGF, HB-EGF, TGF-α and β-Cellulin have a role in SkHep-1 cells migration. • EGFR ligands associated with better prognosis don't stimulate EGFR translocation.

  12. Effects of different ligands on epidermal growth factor receptor (EGFR) nuclear translocation

    International Nuclear Information System (INIS)

    Faria, Jerusa A.Q.A.; Andrade, Carolina de; Goes, Alfredo M.; Rodrigues, Michele A.; Gomes, Dawidson A.

    2016-01-01

    The epidermal growth factor receptor (EGFR) is activated through binding to specific ligands and generates signals for proliferation, differentiation, migration, and cell survival. Recent data show the role of nuclear EGFR in tumors. Although many EGFR ligands are upregulated in cancers, little is known about their effects on EGFR nuclear translocation. We have compared the effects of six EGFR ligands (EGF, HB-EGF, TGF-α, β-Cellulin, amphiregulin, and epiregulin) on nuclear translocation of EGFR, receptor phosphorylation, migration, and proliferation. Cell fractionation and confocal immunofluorescence detected EGFR in the nucleus after EGF, HB-EGF, TGF-α and β-Cellulin stimulation in a dose-dependent manner. In contrast, amphiregulin and epiregulin did not generate nuclear translocation of EGFR. EGF, HB-EGF, TGF-α and β-Cellulin showed correlations between a higher rate of wound closure and increased phosphorylation of residues in the carboxy-terminus of EGFR, compared to amphiregulin and epiregulin. The data indicate that EGFR is translocated to the nucleus after stimulation with EGF, HB-EGF, TGF-α and β-Cellulin, and that these ligands are related to increased phosphorylation of EGFR tyrosine residues, inducing migration of SkHep-1 cells. - Highlights: • EGF, HB-EGF, TGF-α, β-Cellulin are involved in the EGFR nuclear translocation. • Amphiregulin and epiregulin did not promote nuclear translocation of EGFR. • EGF, HB-EGF, TGF-α and β-Cellulin have a role in SkHep-1 cells migration. • EGFR ligands associated with better prognosis don't stimulate EGFR translocation.

  13. On the Reduction of Vector and Axial-Vector Fields in a Meson Effective Action at O(p4)

    International Nuclear Information System (INIS)

    Bel'kov, A.A.; Lanev, A.V.; Schaale, A.

    1994-01-01

    Starting from an effective NJL-type quark interaction we have derived an effective meson action for the pseudoscalar sector. The vector and axial-vector degrees of freedom have been integrated out, applying the static equations of motion. As the results we have found a (reduced) pseudoscalar meson Lagrangian of the Gasser-Leutwyler type with modified structure coefficients L i . This method has been also used to construct the reduced weak and electromagnetic-weak currents. The application of the reduced Lagrangian and currents has been considered in physical processes. 36 refs., 1 fig., 1 tab

  14. Nuclear axial current operators to fourth order in chiral effective field theory

    Energy Technology Data Exchange (ETDEWEB)

    Krebs, H., E-mail: hermann.krebs@rub.de [Institut für Theoretische Physik II, Ruhr-Universität Bochum, D-44780 Bochum (Germany); Epelbaum, E., E-mail: evgeny.epelbaum@rub.de [Institut für Theoretische Physik II, Ruhr-Universität Bochum, D-44780 Bochum (Germany); Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93016 (United States); Meißner, U.-G., E-mail: meissner@hiskp.uni-bonn.de [Helmholtz-Institut für Strahlen- und Kernphysik and Bethe Center for Theoretical Physics, Universität Bonn, D-53115 Bonn (Germany); Institut für Kernphysik, Institute for Advanced Simulation, and Jülich Center for Hadron Physics, Forschungszentrum Jülich, D-52425 Jülich (Germany); JARA - High Performance Computing, Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2017-03-15

    We present the complete derivation of the nuclear axial charge and current operators as well as the pseudoscalar operators to fourth order in the chiral expansion relative to the dominant one-body contribution using the method of unitary transformation. We demonstrate that the unitary ambiguity in the resulting operators can be eliminated by the requirement of renormalizability and by matching of the pion-pole contributions to the nuclear forces. We give expressions for the renormalized single-, two- and three-nucleon contributions to the charge and current operators and pseudoscalar operators including the relevant relativistic corrections. We also verify explicitly the validity of the continuity equation.

  15. Approximate calculation of electronic energy levels of axially symmetric quantum dot and quantum ring by using energy dependent effective mass

    International Nuclear Information System (INIS)

    Yu-Min, Liu; Zhong-Yuan, Yu; Xiao-Min, Ren

    2009-01-01

    Calculations of electronic structures about the semiconductor quantum dot and the semiconductor quantum ring are presented in this paper. To reduce the calculation costs, for the quantum dot and the quantum ring, their simplified axially symmetric shapes are utilized in our analysis. The energy dependent effective mass is taken into account in solving the Schrödinger equations in the single band effective mass approximation. The calculated results show that the energy dependent effective mass should be considered only for relatively small volume quantum dots or small quantum rings. For large size quantum materials, both the energy dependent effective mass and the parabolic effective mass can give the same results. The energy states and the effective masses of the quantum dot and the quantum ring as a function of geometric parameters are also discussed in detail. (general)

  16. Alveolar and exhaled NO in relation to asthma characteristics--effects of correction for axial diffusion.

    Science.gov (United States)

    Heijkenskjöld-Rentzhog, C; Nordvall, L; Janson, C; Borres, M P; Alving, K; Malinovschi, A

    2014-08-01

    Inflammation in the small airways might contribute to incomplete asthma disease control despite intensive treatment in some subgroups of patients. Exhaled NO (FeNO) is a marker of inflammation in asthma and the estimated NO contribution from small airways (CalvNO ) is believed to reflect distal inflammation. Recent studies recommend adjustments of CalvNO for trumpet model and axial diffusion (TMAD-adj). This study aimed to investigate the clinical correlates of CalvNO , both TMAD-adjusted and unadjusted. Asthma symptoms, asthma control, lung function, bronchial responsiveness, blood eosinophils, atopy and treatment level were assessed in 410 subjects, aged 10-35 years. Exhaled NO was measured at different flow-rates and CalvNO calculated, with TMAD-adjustment according to Condorelli. Trumpet model and axial diffusion-adjusted CalvNO was not related to daytime wheeze (P = 0.27), FEF50 (P = 0.23) or bronchial responsiveness (P = 0.52). On the other hand, unadjusted CalvNO was increased in subjects with daytime wheeze (P < 0.001), decreased FEF50 (P = 0.02) and with moderate-to-severe compared to normal bronchial responsiveness (P < 0.001). All these characteristics correlated with increased FeNO (all P < 0.05). Unadjusted CalvNO was positively related to bronchial NO flux (J'awNO ) (r = 0.22, P < 0.001) while TMAD-adjCalvNO was negatively related to J'awNO (r = -0.38, P < 0.001). Adjusted CalvNO was not associated with any asthma characteristics studied in this large asthma cohort. However, both FeNO and unadjusted CalvNO related to asthma symptoms, lung function and bronchial responsiveness. We suggest a potential overadjustment by current TMAD-corrections, validated in healthy or unobstructed asthmatics. Further studies assessing axial diffusion in asthmatics with different degrees of airway obstruction and the validity of proposed TMAD-corrections are warranted. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  17. Investigation of Reactivity Feedback Mechanism of Axial and Radial Expansion Effect of Metal-Fueled Sodium-Cooled Fast Reactor

    International Nuclear Information System (INIS)

    Seong, Seung-Hwan; Choi, Chi-Woong; Jeong, Tae-Kyung; Ha, Gi-Seok

    2015-01-01

    The major inherent reactivity feedback models for a ceramic fuel used in a conventional light water reactor are Doppler feedback and moderator feedback. The metal fuel has these two reactivity feedback mechanisms previously mentioned. In addition, the metal fuel has two more reactivity feedback models related to the thermal expansion phenomena of the metal fuel. Since the metal fuel has a good capability to expand according to the temperature changes of the core, two more feedback mechanisms exist. These additional two feedback mechanism are important to the inherent safety of metal fuel and can make metal-fueled SFR safer than oxide-fueled SFR. These phenomena have already been applied to safety analysis on design extended condition. In this study, the effect of these characteristics on power control capability was examined through a simple load change operation. The axial expansion mechanism is induced from the change of the fuel temperature according to the change of the power level of PGSFR. When the power increases, the fuel temperatures in the metal fuel will increase and then the reactivity will decrease due to the axial elongation of the metal fuel. To evaluate the expansion effect, 2 cases were simulated with the same scenario by using MMS-LMR code developed at KAERI. The first simulation was to analyze the change of the reactor power according to the change of BOP power without the reactivity feedback model of the axial and radial expansion of the core during the power transient event. That is to say, the core had only two reactivity feedback mechanism of Doppler and coolant temperature

  18. Effect of axial magnetic field on a 2.45 GHz permanent magnet ECR ion source.

    Science.gov (United States)

    Nakamura, T; Wada, H; Asaji, T; Furuse, M

    2016-02-01

    Herein, we conduct a fundamental study to improve the generation efficiency of a multi-charged ion source using argon. A magnetic field of our electron cyclotron resonance ion source is composed of a permanent magnet and a solenoid coil. Thereby, the axial magnetic field in the chamber can be tuned. Using the solenoid coil, we varied the magnetic field strength in the plasma chamber and measured the ion beam current extracted at the electrode. We observed an approximately three times increase in the Ar(4+) ion beam current when the magnetic field on the extractor-electrode side of the chamber was weakened. From our results, we can confirm that the multi-charged ion beam current changes depending on magnetic field intensity in the plasma chamber.

  19. Effect of axial magnetic field on a 2.45 GHz permanent magnet ECR ion source

    Energy Technology Data Exchange (ETDEWEB)

    Nakamura, T., E-mail: tsubasa@oshima-k.ac.jp; Wada, H.; Furuse, M. [National Institute of Technology, Oshima College, 1091-1 Komatsu, Suouoshima, Oshima, Yamaguchi 742-2193 (Japan); Asaji, T. [National Institute of Technology, Toyama College, 13 Hongo, Toyama 939-8630 (Japan)

    2016-02-15

    Herein, we conduct a fundamental study to improve the generation efficiency of a multi-charged ion source using argon. A magnetic field of our electron cyclotron resonance ion source is composed of a permanent magnet and a solenoid coil. Thereby, the axial magnetic field in the chamber can be tuned. Using the solenoid coil, we varied the magnetic field strength in the plasma chamber and measured the ion beam current extracted at the electrode. We observed an approximately three times increase in the Ar{sup 4+} ion beam current when the magnetic field on the extractor-electrode side of the chamber was weakened. From our results, we can confirm that the multi-charged ion beam current changes depending on magnetic field intensity in the plasma chamber.

  20. Effective Cross Section of Cold Formed Steel Column Under Axial Compression

    Science.gov (United States)

    Manikandan, P.; Pradeep, T.

    2018-06-01

    The compressive resistance of cold-formed steel (CFS) section may be governed by local, distortional or overall buckling and any apparent interaction between these modes. A new inventive stiffened CFS section is elected in this study, selected cross sections geometries and lengths are chosen such that all the types of buckling modes are met with. Buckling plot is plotted using linear elastic buckling analysis software (CUFSM). Using the test results obtained in the literature, the developed finite element model is calibrated and furthers a total of 126 parametric study is conducted such as a consequence of dimensions and the length of the cross section, thickness and yield stress. The FEA included relevant material and geometric imperfections. All the columns are analyzed under pin end conditions with axial compression. The analysis results demonstrate that the DSM equations generally assess the strength of stiffened section conservatively. Modifications to the DSM equations are recommended to evaluate the strength of stiffened section more precisely.

  1. Effective Cross Section of Cold Formed Steel Column Under Axial Compression

    Science.gov (United States)

    Manikandan, P.; Pradeep, T.

    2018-02-01

    The compressive resistance of cold-formed steel (CFS) section may be governed by local, distortional or overall buckling and any apparent interaction between these modes. A new inventive stiffened CFS section is elected in this study, selected cross sections geometries and lengths are chosen such that all the types of buckling modes are met with. Buckling plot is plotted using linear elastic buckling analysis software (CUFSM). Using the test results obtained in the literature, the developed finite element model is calibrated and furthers a total of 126 parametric study is conducted such as a consequence of dimensions and the length of the cross section, thickness and yield stress. The FEA included relevant material and geometric imperfections. All the columns are analyzed under pin end conditions with axial compression. The analysis results demonstrate that the DSM equations generally assess the strength of stiffened section conservatively. Modifications to the DSM equations are recommended to evaluate the strength of stiffened section more precisely.

  2. The effect of axial external magnetic field on tungsten inert gas welding of magnesium alloy

    Science.gov (United States)

    Li, Caixia; Zhang, Xiaofeng; Wang, Jing

    2018-04-01

    The influences of axial external magnetic field on the microstructure and mechanical property of the AZ31 magnesium (Mg) alloy joints were studied. The microstructure of Mg alloy joint consisted of the weld seam, heat affected zone and base metal zone. The average grain size of weld seam welded with magnetic field is 39 μm, which is 38% smaller than that of the joint welded with absence of magnetic field. And the microhardness of weld seam increases with the help of magnetic field treatment, owing to the coarse grain refinement. With coil current of 2.0A, the maximum mechanical property of joint increases 6.7% to 255 MPa over the specimen without magnetic field treatment. Furthermore, fracture location is near heat affected area and the fracture surface is characterized with ductile fracture.

  3. Effects of axial magnetic field on the electronic and optical properties of boron nitride nanotube

    Science.gov (United States)

    Chegel, Raad; Behzad, Somayeh

    2011-07-01

    The splitting of band structure and absorption spectrum, for boron nitride nanotubes (BNNTs) under axial magnetic field, is studied using the tight binding approximation. It is found that the band splitting ( ΔE) at the Γ point is linearly proportional to the magnetic field ( Φ/Φ0). Our results indicate that the splitting rate νii, of the two first bands nearest to the Fermi level, is a linear function of n -2 for all (n,0) zigzag BNNTs. By investigation of the dependence of band structure and absorption spectrum to the magnetic field, we found that absorption splitting is equal to band splitting and the splitting rate of band structure can be used to determine the splitting rate of the absorption spectrum.

  4. Research on the effect of wear-ring clearances to the axial and radial force of a centrifugal pump

    International Nuclear Information System (INIS)

    Zhao, W G; Qi, C X; Li, Y B; He, M Y

    2013-01-01

    Varying of the wear-ring clearance not only has a distinct effect on the volumetric loss of the centrifugal pump, but also on the performance of the centrifugal pump including the axial and radial forces. Comparing with the experimental studies, numerical simulation methods have some special advantages, such as the low cost, fast and high efficiency, and convenient to get the detailed structure of the internal flow characteristics, so it has been widely used in the fluid machinery study in recent years. In order to study the effect of wear-ring clearance on the force performance of the centrifugal pump, based on the Reynolds Time-Averaged N-S equations and RNG k-ε turbulence model, a centrifugal pump with three variable styles of the wear-rings was simulated: Only the clearance of the front wear-ring was changed, only the clearance of the back wear-ring was changed and both were changed. Comparing with the experiment, numerical results show a good agreement. In the three changing styles of the clearance, the variable of the clearance of front wear-ring has the most influence on the axial force of the centrifugal pump, while has tiny effect on the radial force for all the conditions

  5. The Effects of Wear upon the Axial Profile of a Grinding Wheel in the Construction of Innovative Grinding Wheels for Internal Cylindrical Grinding

    OpenAIRE

    Nadolny, K.; Słowiński, B.

    2011-01-01

    The article describes the effects of wear upon the axial profile of a grinding wheel in the axial cylindrical grinding processes. This mechanism was used to develop a grinding wheel with zone diversified structure made of microcrystalline sintered corundum abrasive grains and vitrifies bond. Such a grinding wheel is characterized by the conical rough grinding zone that is made by grains of a relatively large size, and a cylindrical finish grinding zone with grains of a smaller size and can be...

  6. Effects of Na/K-ATPase and its ligands on bone marrow stromal cell differentiation

    Directory of Open Access Journals (Sweden)

    Moustafa Sayed

    2014-07-01

    Full Text Available Endogenous ligands of Na/K-ATPase have been demonstrated to increase in kidney dysfunction and heart failure. It is also reported that Na/K-ATPase signaling function effects stem cell differentiation. This study evaluated whether Na/K-ATPase activation through its ligands and associated signaling functions affect bone marrow stromal cells (BMSCs, also known as bone marrow-derived mesenchymal stem cells differentiation capacity. BMSCs were isolated from male Sprague–Dawley rats and cultured in minimal essential medium alpha (MEM-α supplemented with 15% Fetal Bovine serum (FBS. The results showed that marinobufagenin (MBG, a specific Na/K-ATPase ligand, potentiated rosiglitazone-induced adipogenesis in these BMSCs. Meanwhile, it attenuated BMSC osteogenesis. Mechanistically, MBG increased CCAAT/enhancer binding protein alpha (C/EBPα protein expression through activation of an extracellular regulated kinase (ERK signaling pathway, which leads to enhanced rosiglitazone-induced adipogenesis. Inhibition of ERK activation by U0126 blocks the effect of MBG on C/EBPα expression and on rosiglitazone-induced adipogenesis. Reciprocally, MBG reduced runt-related transcription factor 2 (RunX2 expression, which resulted in the inhibition of osteogenesis induced by β-glycerophosphate/ascorbic acid. MBG also potentiated rosiglitazone-induced adipogenesis in 3T3-L1 cells and in mouse BMSCs. These results suggest that Na/K-ATPase and its signaling functions are involved in the regulation of BMSCs differentiation.

  7. Ultralow power complementary inverter circuits using axially doped p- and n-channel Si nanowire field effect transistors.

    Science.gov (United States)

    Van, Ngoc Huynh; Lee, Jae-Hyun; Whang, Dongmok; Kang, Dae Joon

    2016-06-09

    We have successfully synthesized axially doped p- and n-type regions on a single Si nanowire (NW). Diodes and complementary metal-oxide-semiconductor (CMOS) inverter devices using single axial p- and n-channel Si NW field-effect transistors (FETs) were fabricated. We show that the threshold voltages of both p- and n-channel Si NW FETs can be lowered to nearly zero by effectively controlling the doping concentration. Because of the high performance of the p- and n-type Si NW channel FETs, especially with regard to the low threshold voltage, the fabricated NW CMOS inverters have a low operating voltage (<3 V) while maintaining a high voltage gain (∼6) and ultralow static power dissipation (≤0.3 pW) at an input voltage of ±3 V. This result offers a viable way for the fabrication of a high-performance high-density logic circuit using a low-temperature fabrication process, which makes it suitable for flexible electronics.

  8. Proposed Model of Predicting the Reduced Yield Axial Load of Reinforced Concrete Columns Due to Casting Deficiency Effect

    Directory of Open Access Journals (Sweden)

    Achillopoulou Dimitra

    2014-12-01

    Full Text Available The study deals with the investigation of the effect of casting deficiencies- both experimentally and analytically on axial yield load or reinforced concrete columns. It includes 6 specimens of square section (150x150x500 mm of 24.37 MPa nominal concrete strength with 4 longitudinal steel bars of 8 mm (500 MPa nominal strength with confinement ratio ωc=0.15. Through casting procedure the necessary provisions defined by International Standards were not applied strictly in order to create construction deficiencies. These deficiencies are quantified geometrically without the use of expensive and expertise non-destructive methods and their effect on the axial load capacity of the concrete columns is calibrated trough a novel and simplified prediction model extracted by an experimental and analytical investigation that included 6 specimens. It is concluded that: a even with suitable repair, load reduction up to 22% is the outcome of the initial construction damage presence, b the lower dispersion is noted for the section damage index proposed, c extended damage alters the failure mode to brittle accompanied with longitudinal bars buckling, d the proposed model presents more than satisfying results to the load capacity prediction of repaired columns.

  9. Effect of some environmental ligands and fertilizers on humic acid complexation with strontium. Vol. 4

    Energy Technology Data Exchange (ETDEWEB)

    Helal, A A; Iman, D M; Khalifa, S M; Aly, H F [Hot Laborities Center, Atomic Energy Authority, Cairo, (Egypt)

    1996-03-01

    Strontium-90 represents one of the main radionuclides produced in fission products. Migration of strontium in the environment in case of accidental release is governed by many factors, besides its interaction with the materials present in the environment. Both humic acid and fertilizers are present on agricultural lands or aqueous streams. Other ligands such as EDTA, citrates, and phosphates are present in the environment. The binding and exchange of cations by the soil organic fractions is of importance in soil fertility because the supply of Na{sup +}, K{sup +}, Ca{sup 2+}, Mg{sup 2+} and certain micro nutrients (Cu{sup 2+}, Mn{sup 2+}, Zn{sup 2+} and Fe{sup 3+}) to plant is strongly dependent on the cation exchange capacity of the soil which may be induced by organic matters. The effect of the presence of certain fertilizers and some environmental ligands on the Sr-humate complex was studied. In general, the fertilizers and the complexing ligands investigated are compared with humic acid in its complexation with strontium. 6 figs.

  10. Interactions of human hemoglobin with charged ligand-functionalized iron oxide nanoparticles and effect of counterions

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Goutam, E-mail: ghoshg@yahoo.com [UGC-DAE Consortium for Scientific Research, Mumbai Centre (India); Panicker, Lata [Bhabha Atomic Research Centre, Solid State Physics Division (India)

    2014-12-15

    Human hemoglobin is an important metalloprotein. It has tetrameric structure with each subunit containing a ‘heme’ group which carries oxygen and carbon dioxide in blood. In this work, we have investigated the interactions of human hemoglobin (Hb) with charged ligand-functionalized iron oxide nanoparticles and the effect of counterions, in aqueous medium. Several techniques like DLS and ζ-potential measurements, UV–vis, fluorescence, and CD spectroscopy have been used to characterize the interaction. The nanoparticle size was measured to be in the range of 20–30 nm. Our results indicated the binding of Hb with both positively as well as negatively charged ligand-functionalized iron oxide nanoparticles in neutral aqueous medium which was driven by the electrostatic and the hydrophobic interactions. The electrostatic binding interaction was not seen in phosphate buffer at pH 7.4. We have also observed that the ‘heme’ groups of Hb remained unaffected on binding with charged nanoparticles, suggesting the utility of the charged ligand-functionalized nanoparticles in biomedical applications.

  11. Effect of selected ligands on the U(VI) immobilization by zerovalent iron

    International Nuclear Information System (INIS)

    Noubactep, C.

    2006-01-01

    The effect of Cl - , CO 3 2- , EDTA, NO 2 - , NO 3 - , PO 4 3- , SO 4 2- , and humic substances (HS) on the U(VI) co-precipitation from aqueous solutions by zerovalent iron (ZVI) was investigated in the neutral pH range.Batch experiments without shaking were conducted for 14 days mostly with five different ZVI materials (15 g/l), selected ligands (10mM) and an U(VI) solution (20 mg/l, 0.084mM). Apart from Cl - , all tested ligands induced a decrease of U(VI) coprecipitation. This decrease is attributed to the surface adsorption and complexation of the ligands at the reactive sites on the surface of ZVI and their corrosion products. The decrease of U(VI) removal was not uniform with the five ZVI materials. Generally, groundwater with elevated EDTA concentration could not be remediated with the ZVI barrier technology. The response of the system on the pre-treating by two ZVI materials in 250mM HCl indicated that in situ generated corrosion products favor an irreversible U(VI) uptake. Thus for the long term performance of ZVI barrier, the iron dissolution should continue in such a way that fresh iron oxide be always available for U(VI) coprecipitation. (author)

  12. Strong ligand field effects of blue phosphorescent Ir(III) complexes with phenylpyrazole and phosphines.

    Science.gov (United States)

    Park, Se Won; Ham, Ho Wan; Kim, Young Sik

    2012-04-01

    In the paper, we describe new Ir complexes for achieving efficient blue phosphorescence. New blue-emitting mixed-ligand Ir complexes comprising one cyclometalating, two phosphines trans to each other such as Ir(dppz)(PPh3)2(H)(L) (Ll= Cl, NCMe+, CN), [dppz = 3,5-Diphenylpyrazole] were synthesized and studied to tune the phosphorescence wavelength to the deep blue region and to enhance the luminescence efficiencies. To gain insight into the factors responsible for the emission color change and the variation of luminescence efficiency, we investigate the electron-withdrawing capabilities of ancillary ligands using DFT and TD-DFT calculations on the ground and excited states of the complexes. To achieve deep blue emission and increase the emission efficiency, (1) we substitute the phenyl group on the 3-position of the pyrazole ring that lowers the triplet energy enough that the quenching channel is not thermally accessible and (2) change the ancillary ligands coordinated to iridium atom to phosphine and cyano groups known as very strong field ligands. Their inclusion in the coordination sphere can increase the HOMO-LUMO gap to achieve the hypsochromic shift in emission color and lower the HOMO and LUMO energy level, which causes a large d-orbital energy splitting and avoids the quenching effect to improve the luminescence efficiency. The maximum emission spectra of Ir(dppz)(PPh3)2(H)(CI) and Ir(dppz)(PPh3)2(H)(CN) were in the ranges of 439, 432 nm, respectively.

  13. Diffusion air effects on the soot axial distribution concentration in a premixed acetylene/air flame

    Energy Technology Data Exchange (ETDEWEB)

    Fassani, Fabio Luis; Santos, Alex Alisson Bandeira; Goldstein Junior, Leonardo [Universidade Estadual de Campinas, SP (Brazil). Faculdade de Engenharia Mecanica. Dept. de Engenharia Termica e de Fluidos]. E-mails: fassani@fem.unicamp.br; absantos@fem.unicamp.br; leonardo@fem.unicamp.br; Ferrari, Carlos Alberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Fisica. Dept. de Eletronica Quantica]. E-mail: ferrari@ifi.unicamp.br

    2000-07-01

    Soot particles are produced during the high temperature pyrolysis or combustion of hydrocarbons. The emission of soot from a combustor, or from a flame, is determined by the competition between soot formation and its oxidation. Several factors affect these processes, including the type of fuel, the air-to-fuel ratio, flame temperature, pressure, and flow pattern. In this paper, the influence of the induced air diffusion on the soot axial distribution concentration in a premixed acetylene/air flame was studied. The flame was generated in a vertical axis burner in which the fuel - oxidant mixture flow was surrounded by a nitrogen discharge coming from the annular region between the burner tube and an external concentric tube. The nitrogen flow provided a shield that protected the flame from the diffusion of external air, enabling its control. The burner was mounted on a step-motor driven, vertical translation table. The use of several air-to-fuel ratios made possible to establish the sooting characteristics of this flame, by measuring soot concentration along the flame height with a non-intrusive laser light absorption technique. (author)

  14. Experimental Investigation of the Root Cause Mechanism and Effectiveness of Mitigating Actions for Axial Offset Anomaly in Pressurized Water Reactors

    International Nuclear Information System (INIS)

    Said Abdel-Khalik

    2005-01-01

    Axial offset anomaly (AOA) in pressurized water reactors refers to the presence of a significantly larger measured negative axial offset deviation than predicted by core design calculations. The neutron flux depression in the upper half of high-power rods experiencing significant subcooled boiling is believed to be caused by the concentration of boron species within the crud layer formed on the cladding surface. Recent investigations of the root-cause mechanism for AOA [1,2] suggest that boron build-up on the fuel is caused by precipitation of lithium metaborate (LiBO2) within the crud in regions of subcooled boiling. Indirect evidence in support of this hypothesis was inferred from operating experience at Callaway, where lithium return and hide-out were, respectively, observed following power reductions and power increases when AOA was present. However, direct evidence of lithium metaborate precipitation within the crud has, heretofore, not been shown because of its retrograde solubility. To this end, this investigation has been undertaken in order to directly verify or refute the proposed root-cause mechanism of AOA, and examine the effectiveness of possible mitigating actions to limit its impact in high power PWR cores

  15. Measurement of fluid film thickness on the valve plate in oil hydraulic axial piston pumps (I): bearing pad effects

    International Nuclear Information System (INIS)

    Kim, Jong Ki; Jung, Jae Youn

    2003-01-01

    The tribological mechanism between the valve plate and the cylinder block in oil hydraulic axial piston pumps plays an important role on high power density. In this study, the fluid film thickness between the valve plate and the cylinder block was measured with discharge pressure and rotational speed by use of a gap sensor, and a slip ring system in the operating period. To investigate the effect of the valve plate shapes, we designed two valve plates with different shapes: the first valve plate was without a bearing pad, while the second valve plate had a bearing pad. It was found that both valve plates behaved differently with respect to the fluid film thickness characteristics. The leakage flow rates and the shaft torque were also experimented in order to clarify the performance difference between the valve plate without a bearing pad and the valve plate with a bearing pad. From the results of this study, we found out that in the oil hydraulic axial piston pumps, the valve plate with a bearing pad showed better film thickness contours than the valve plate without a bearing pad

  16. Effect of heated length on the Critical Heat Flux of subcooled flow boiling. 2. Effective heated length under axially nonuniform heating condition

    International Nuclear Information System (INIS)

    Kinoshita, Hidetaka; Yoshida, Takuya; Nariai, Hideki; Inasaka, Fujio

    1998-01-01

    Effect of heated length on the Critical Heat Flux (CHF) of subcooled flow boiling with water was experimentally investigated by using direct current heated tube made of stainless steel a part of whose wall thickness was axially cut for realizing nonuniform heat flux condition. The higher enhancement of the CHF was derived for shorter tube length. The effective heated length was determined for the tube under axially nonuniform heat flux condition. When the lower heat flux part below the Net Vapor Generation (NVG) heat flux exists at the middle of tube length, then the effective heated length becomes the tube length downstream the lower heat flux parts. However, when the lower heat flux part is above the NVG, then the effective heated length is full tube length. (author)

  17. Numerical research on the effects of impeller pump-out vanes on axial force in a solid-liquid screw centrifugal pump

    International Nuclear Information System (INIS)

    Cheng, X R; Li, R N; Gao, Y; Guo, W L

    2013-01-01

    A commercial CFD code has been used to predict the performance of a screw centrifugal pump with pump-out vanes, especially when changing regularity of impeller axial force based on the solid-liquid two-phase flow. The Unsteady Reynolds Averaged Navier-Stokes (URANS) approach has been applied to solve the unsteady, incompressible, three-dimensional turbulent. The SIMPLEC algorithm, standard wall functions and mix two-phase flow model were applied. The RNG k ε-model was used to account the turbulence effects. By changing the number of impeller pump-out vanes and width, six different screw centrifugal pump numerical simulation projects were given, and each scheme in the different solid volume fraction were calculated respectively. The change rules of axial force, velocity and pressure distribution of flow field were obtained on the different condition and different volume fraction. The results showed that the axial forces values based solid-fluid two-phase greater than based single-phase clear water, but both changing regularity of the axial force were consistent; as same condition, the same solid-phase volume concentration, with the increase of pump-out vanes number or width, the impeller axial force increased as well. Meanwhile the number of the pump-out vanes and the width of pump-out vanes in balancing the impeller axial force, there are the most optimal value

  18. Effectiveness of thin-slice axial images of multidetector row CT for visualization of bronchial artery before bronchial arterial embolization

    International Nuclear Information System (INIS)

    Shida, Yoshitaka; Hasuo, Kanehiro; Aibe, Hitoshi; Kubo, Yuko; Terashima, Kotaro; Kinjo, Maya; Kamano, H.; Yoshida, Atsuko

    2008-01-01

    We assessed the ability of visualization of bronchial artery (BA) by using thin-slice axial images of 4-detector multidetector row CT in 65 patients with hemoptysis. In all patients, the origins of BA were well identified with observation of consecutive axial images with 1 mm thickness by paging method and bronchial arterial embolization (BAE) was performed successfully. Thin-slice axial images were considered to be useful to recognize BA and to perform BAE in patients with hemoptysis. (author)

  19. Effect of mitomycin-c-assisted sutureless trabeculectomy on keratometry and axial length

    Directory of Open Access Journals (Sweden)

    Anant Sharma

    2017-01-01

    Full Text Available Aim: Glaucoma is defined as chronic, progressive optic neuropathy caused by a group of ocular conditions, which leads to damage of the optic nerve with loss of visual function. This study was conducted to find out the changes in corneal curvature, axial length and intraocular pressure. Materials and Methods: The present study was conducted in the Department of Ophthalmology, S P Medical College and Associated Group of Hospitals, Bikaner. A total of fifty cases of either age- and sex-matched controls were selected for this study. These cases were divided into two groups: Group A (sutureless trabeculectomy with mitomycin-C [MMC] and Group B (sutureless trabeculectomy without MMC. Results: The mean post-operative intraocular pressure (IOP was lowered in MMC-treated eyes when compared to control at 1½ months. The IOP reduction was greater in the MMC-treated eyes (13.25 mmHg at 1½ months as compared to control Group B (16.9 mmHg at 1½ months. Comparing results with the present study, it was found that success rate in MMC-treated eyes was noted in 23 (92% individuals, in which complete success was in 22 (88% while qualified success in 1 (4% and qualified failure in 2 (8% with mean IOP of 13.2 mmHg at 1½ months, whereas in control group, success rate was noted in 19 (76% individuals, in which complete success was in 18 (72% and qualified success in 1 (4%, while qualified failure in 6 (24% with mean IOP of 16.9 mmHg at 1½ months after operation. Conclusion: Results of this study are in favour of intraoperative application of MMC during filtration surgery, especially in cases with high-risk failure.

  20. Axial Creep Loading and Unloaded Recovery of the Human Intervertebral Disc and the Effect of Degeneration

    Science.gov (United States)

    O'Connell, Grace D.; Jacobs, Nathan T.; Sen, Sounok; Vresilovic, Edward J.; Elliott, Dawn M.

    2011-01-01

    The intervertebral disc maintains a balance between externally applied loads and internal osmotic pressure. Fluid flow plays a key role in this process, causing fluctuations in disc hydration and height. The objectives of this study were to quantify and model the axial creep and recovery responses of nondegenerate and degenerate human lumbar discs. Two experiments were performed. First, a slow compressive ramp was applied to 2000 N, unloaded to allow recovery for up to 24 hours, and re-applied. The linear-region stiffness and disc height were within 5% of the initial condition for recovery times greater than 8 hours. In the second experiment, a 1000 N creep load was applied for four hours, unloaded recovery monitored for 24 hours, and the creep load repeated. A viscoelastic model comprised of a “fast” and “slow” exponential response was used to describe the creep and recovery, where the fast response is associated with flow in the nucleus pulposus (NP) and endplate, while the slow response is associated with the annulus fibrosus (AF). The study demonstrated that recovery is 3-4X slower than loading. The fast response was correlated with degeneration, suggesting larger changes in the NP with degeneration compared to the AF. However, the fast response comprised only 10-15% of the total equilibrium displacement, with the AF-dominated slow response comprising 40-70%. Finally, the physiological loads and deformations and their associated long equilibrium times confirm that diurnal loading does not represent “equilibrium” in the disc, but that over time the disc is in steady-state. PMID:21783103

  1. Damped gyroscopic effects and axial-flexural-torsional coupling using spinning finite elements for wind-turbine blades characterization

    Science.gov (United States)

    Velazquez, Antonio; Swartz, R. Andrew

    2013-04-01

    Renewable energy sources like wind are important technologies, useful to alleviate for the current fossil-fuel crisis. Capturing wind energy in a more efficient way has resulted in the emergence of more sophisticated designs of wind turbines, particularly Horizontal-Axis Wind Turbines (HAWTs). To promote efficiency, traditional finite element methods have been widely used to characterize the aerodynamics of these types of multi-body systems and improve their design. Given their aeroelastic behavior, tapered-swept blades offer the potential to optimize energy capture and decrease fatigue loads. Nevertheless, modeling special complex geometries requires huge computational efforts necessitating tradeoffs between faster computation times at lower cost, and reliability and numerical accuracy. Indeed, the computational cost and the numerical effort invested, using traditional FE methods, to reproduce dependable aerodynamics of these complex-shape beams are sometimes prohibitive. A condensed Spinning Finite Element (SFE) method scheme is presented in this study aimed to alleviate this issue by means of modeling wind-turbine rotor blades properly with tapered-swept cross-section variations of arbitrary order via Lagrangian equations. Axial-flexural-torsional coupling is carried out on axial deformation, torsion, in-plane bending and out-of-plane bending using super-convergent elements. In this study, special attention is paid for the case of damped yaw effects, expressed within the described skew-symmetric damped gyroscopic matrix. Dynamics of the model are analyzed by achieving modal analysis with complex-number eigen-frequencies. By means of mass, damped gyroscopic, and stiffness (axial-flexural-torsional coupling) matrix condensation (order reduction), numerical analysis is carried out for several prototypes with different tapered, swept, and curved variation intensities, and for a practical range of spinning velocities at different rotation angles. A convergence study

  2. Effects of coumestrol on lipid and glucose metabolism as a farnesoid X receptor ligand

    International Nuclear Information System (INIS)

    Takahashi, Miki; Kanayama, Tomohiko; Yashiro, Takuya; Kondo, Hidehiko; Murase, Takatoshi; Hase, Tadashi; Tokimitsu, Ichiro; Nishikawa, Jun-ichi; Sato, Ryuichiro

    2008-01-01

    In the course of an effort to identify novel agonists of the farnesoid X receptor (FXR), coumestrol was determined to be one such ligand. Reporter and in vitro coactivator interaction assays revealed that coumestrol bound and activated FXR. Treatment of Hep G2 cells with coumestrol stimulated the expression of FXR target genes, thereby regulating the expression of target genes of the liver X receptor and hepatocyte nuclear factor-4α. Through these actions, coumestrol is expected to exert beneficial effects on lipid and glucose metabolism

  3. Substituent effect on redox potential of nitrido technetium complexes with Schiff base ligand. Theoretical calculations

    International Nuclear Information System (INIS)

    Takayama, T.; Sekine, T.; Kudo, H.

    2003-01-01

    Theoretical calculations based on the density functional theory (DFT) were performed to understand the effect of substituents on the molecular and electronic structures of technetium nitrido complexes with salen type Schiff base ligands. Optimized structures of these complexes are square pyramidal. The electron density on a Tc atom of the complex with electron withdrawing substituents is lower than that of the complex with electron donating substituents. The HOMO energy is lower in the complex with electron withdrawing substituents than that in the complex with electron donating substituents. The charge on Tc atoms is a good measure that reflects the redox potential of [TcN(L)] complex. (author)

  4. Effective axial-vector coupling of the gluon and top-quark charge asymmetry at the LHC

    International Nuclear Information System (INIS)

    Gabrielli, E.; Giammanco, A.; Racioppi, A.; Raidal, M.

    2012-01-01

    We study the top quark charge asymmetry induced by an effective axial-vector coupling of the gluon at the LHC experiments. We showed that rapidity cut-dependent asymmetries are more sensitive to the new physics than the independent ones. We also study the dependence of the asymmetries and variations of the total tt-bar cross sections on the invariant mass of the tt-bar system and show that it would be necessary to measure those quantities as functions of m tt at the LHC. If this is done, in the context of the considered new physics scenario, the 7 TeV LHC has enough sensitivity either to confirm the Tevatron top charge asymmetry anomaly or to rule it out. In the latter case the LHC will be able to put stringent constraint on the new physics scale Λ in this framework. (authors)

  5. Effects of counterion valency on the damping of phonons propagating along the axial direction of liquid-crystalline DNA

    Science.gov (United States)

    Liu, Yun; Chen, Sow-Hsin; Berti, Debora; Baglioni, Piero; Alatas, Ahmet; Sinn, Harald; Alp, Ercan; Said, Ayman

    2005-12-01

    The phonon propagation and damping along the axial direction of films of aligned 40wt% calf-thymus DNA rods are studied by inelastic x-ray scattering (IXS). The IXS spectra are analyzed with the generalized three effective eigenmode theory, from which we extract the dynamic structure factor S (Q,E) as a function of transferred energy E =ℏω, and the magnitude of the transferred wave vector Q. S (Q,E) of a DNA sample typically consists of three peaks, one central Rayleigh scattering peak, and two symmetric Stokes and anti-Stokes Brillouin side peaks. By analyzing the Brillouin peaks, the phonon excitation energy and damping can be extracted at different Q values from about 4 to 30nm-1. A high-frequency sound speed is obtained from the initial slope of the linear portion of the dispersion relation below Q =4nm-1. The high-frequency sound speed obtained in this Q range is 3100m /s, which is about twice faster than the ultrasound speed of 1800m/s, measured by Brillouin light scattering at Q ˜0.01nm-1 at the similar hydration level. Our observations provide further evidence of the strong coupling between the internal dynamics of a DNA molecule and the dynamics of the solvent. The effect on damping and propagation of phonons along the axial direction of DNA rods due to divalent and trivalent counterions has been studied. It is found that the added multivalent counterions introduce stronger phonon damping. The phonons at the range between ˜12.5 and ˜22.5nm-1 are overdamped by the added counterions according to our model analyses. The intermediate scattering function is extracted and it shows a clear two-step relaxation with the fast relaxation time ranging from 0.1 to 4ps.

  6. Combining effect of optimized axial compressor variable guide vanes and bleed air on the thermodynamic performance of aircraft engine system

    International Nuclear Information System (INIS)

    Kim, Sangjo; Son, Changmin; Kim, Kuisoon

    2017-01-01

    Aim of this work is to provide evidence of the effectiveness of combined use of the variable guide vanes (VGVs) and bleed air on the thermodynamic performance of aircraft engine system. This paper performed the comparative study to evaluate the overall thermal performance of an aircraft engine with optimized VGVs and bleed air, separately or simultaneously. The low-bypass ratio turbofan engine has been modeled with a 0D/1D modeling approach. The genetic algorithm is employed to find the optimum schedule of VGVs and bleed air. There are four types of design variables: (1) the inlet guide vane (IGV) angle, (2) the IGV and 1st stator vane (SV) angles, (3) bleed air mass flow rate at the exit of the axial compressor, and (4) both type 2 and type 3. The optimization is conducted with surge margin constraints of more than 10% and 15% in the axial compressor. The results show that the additional use of the bleed air increases the efficiency of the compressors. Overall, the percentage reductions of the total fuel consumption for the engine with the IGV, 1st SV and bleed air schedule is 1.63% for 15% surge margin constraints when compared with the engine with the IGV schedule. - Highlights: • The effect of combined use of variable guide vanes and bleed air is evaluated. • The genetic algorithm is employed to find the optimum setting angle and bleed air. • A low bypass ratio mixed turbofan engine is analyzed for optimization. • Additional use of the bleed air shows improved overall performance of the engine.

  7. Effects of sulfate ligand on uranyl carbonato surface species on ferrihydrite surfaces.

    Science.gov (United States)

    Arai, Yuji; Fuller, C C

    2012-01-01

    Understanding uranium (U) sorption processes in permeable reactive barriers (PRB) are critical in modeling reactive transport for evaluating PRB performance at the Fry Canyon demonstration site in Utah, USA. To gain insight into the U sequestration mechanism in the amorphous ferric oxyhydroxide (AFO)-coated gravel PRB, U(VI) sorption processes on ferrihydrite surfaces were studied in 0.01 M Na(2)SO(4) solutions to simulate the major chemical composition of U-contaminated groundwater (i.e., [SO(4)(2-)] ~13 mM L(-1)) at the site. Uranyl sorption was greater at pH 7.5 than that at pH 4 in both air- and 2% pCO(2)-equilibrated systems. While there were negligible effects of sulfate ligands on the pH-dependent U(VI) sorption (carbonato U(VI) ternary surface species became more important. At 2% pCO(2), there was no contribution of sulfate ligands on the U(VI) ternary surface species. Instead, a mixture of bis-carbonato inner-sphere (38%) and tris-carbonato outer-sphere U(VI) ternary surface species (62%) was found at pH 7.62. The study suggests that the competitive ligand (bicarbonate and sulfate) coordination on U(VI) surface species might be important in evaluating the U solid-state speciation in the AFO PRB at the study site where pCO(2) fluctuates between 1 and 2 pCO(2)%. Copyright © 2011 Elsevier Inc. All rights reserved.

  8. Investigation of the Shear Flow Effect and Tip Clearance on a Low Speed Axial Flow Compressor Cascade

    Directory of Open Access Journals (Sweden)

    Mahesh Varpe

    2013-01-01

    Full Text Available This paper explores the effect of inlet shear flow on the tip leakage flow in an axial flow compressor cascade. A flow with a high shear rate is generated in the test section of an open circuit cascade wind tunnel by using a combination of screens with a prescribed solidity. It is observed that a stable shear flow of shear rate 1.33 is possible and has a gradual decay rate until 15 times the height of the shear flow generator downstream. The computational results obtained agree well with the available experimental data on the baseline configuration. The detailed numerical analysis shows that the tip clearance improves the blade loading near the tip through the promotion of favorable incidence by the tip leakage flow. The tip clearance shifts the centre of pressure on the blade surface towards the tip. It, however, has no effect on the distribution of end wall loss and deviation angle along the span up to 60% from the hub. In the presence of a shear inflow, the end wall effects are considerable. On the other hand, with a shear inflow, the effects of tip leakage flow are observed to be partly suppressed. The shear flow reduces the tip leakage losses substantially in terms of kinetic energy associated with it.

  9. Effect of adrenergic receptor ligands on metaiodobenzylguanidine uptake and storage in neuroblastoma cells

    Energy Technology Data Exchange (ETDEWEB)

    Babich, J.W. [Division of Nuclear Medicine, Department of Radiology, Massachusetts General Hospital, Boston, Massachusetts (United States)]|[Department of Radiology, Harvard Medical School, Boston, Massachusetts (United States); Graham, W. [Division of Nuclear Medicine, Department of Radiology, Massachusetts General Hospital, Boston, Massachusetts (United States); Fischman, A.J. [Division of Nuclear Medicine, Department of Radiology, Massachusetts General Hospital, Boston, Massachusetts (United States)]|[Department of Radiology, Harvard Medical School, Boston, Massachusetts (United States)

    1997-05-01

    The effects of adrenergic receptor ligands on uptake and storage of the radiopharmaceutical [{sup 125}I]metaiodobenzylguanidine (MIBG) were studied in the human neuroblastoma cell line SK-N-SH. For uptake studies, cells were with varying concentrations of {alpha}-agonist (clonidine, methoxamine, and xylazine), {alpha}-antagonist (phentolamine, tolazoline, phenoxybenzamine, yohimbine, and prazosin), {beta}-antagonist (propranolol, atenolol), {beta}-agonist (isoprenaline and salbutamol), mixed {alpha}/{beta} antagonist (labetalol), or the neuronal blocking agent guanethidine, prior to the addition of [{sup 125}I]MIBG (0.1 {mu}M). The incubation was continued for 2 h and specific cell-associated radioactivity was measured. For the storage studies, cells were incubated with [{sup 125}I]MIBG for 2 h, followed by replacement with fresh medium with or without drug (MIBG, clonidine, or yohimbine). Cell-associated radioactivity was measured at various times over the next 20 h. Propanolol reduced [{sup 125}I]MIBG uptake by approximately 30% (P<0.01) at all concentrations tested, most likely due to nonspecific membrane changes. In conclusion, the results of this study establish that selected adrenergic ligands can significantly influence the pattern of uptake and storage of MIBG in cultured neuroblastoma cells, most likely through inhibition of uptake or through noncompetitive inhibition. The potential inplications of these findings justify further study. (orig./VHE). With 4 figs., 1 tab.

  10. Studies on the effect of the axial magnetic field on the x-ray bremsstrahlung in a 2.45 GHz permanent magnet microwave ion source

    International Nuclear Information System (INIS)

    Kumar, Narender; Rodrigues, G.; Lakshmy, P. S.; Mathur, Y.; Ahuja, R.; Kanjilal, D.; Baskaran, R.

    2014-01-01

    A compact microwave ion source has been designed and developed for operation at a frequency of 2.45 GHz. The axial magnetic field is based on two permanent magnet rings, operating in the “off-resonance” mode and is tunable by moving the permanent magnets. In order to understand the electron energy distribution function, x-ray bremsstrahlung has been measured in the axial direction. Simulation studies on the x-ray bremsstrahlung have been carried out to compare with the experimental results. The effect of the axial magnetic field with respect to the microwave launching position and the position of the extraction electrode on the x-ray bremsstrahlung have been studied

  11. Studies on the effect of the axial magnetic field on the x-ray bremsstrahlung in a 2.45 GHz permanent magnet microwave ion source

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Narender; Rodrigues, G., E-mail: gerosro@gmail.com; Lakshmy, P. S.; Mathur, Y.; Ahuja, R.; Kanjilal, D. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi (India); Baskaran, R. [Indira Gandhi Centre for Atomic Research, Kalpakkam, Tamilnadu (India)

    2014-02-15

    A compact microwave ion source has been designed and developed for operation at a frequency of 2.45 GHz. The axial magnetic field is based on two permanent magnet rings, operating in the “off-resonance” mode and is tunable by moving the permanent magnets. In order to understand the electron energy distribution function, x-ray bremsstrahlung has been measured in the axial direction. Simulation studies on the x-ray bremsstrahlung have been carried out to compare with the experimental results. The effect of the axial magnetic field with respect to the microwave launching position and the position of the extraction electrode on the x-ray bremsstrahlung have been studied.

  12. Studies on the effect of the axial magnetic field on the x-ray bremsstrahlung in a 2.45 GHz permanent magnet microwave ion source.

    Science.gov (United States)

    Kumar, Narender; Rodrigues, G; Lakshmy, P S; Baskaran, R; Mathur, Y; Ahuja, R; Kanjilal, D

    2014-02-01

    A compact microwave ion source has been designed and developed for operation at a frequency of 2.45 GHz. The axial magnetic field is based on two permanent magnet rings, operating in the "off-resonance" mode and is tunable by moving the permanent magnets. In order to understand the electron energy distribution function, x-ray bremsstrahlung has been measured in the axial direction. Simulation studies on the x-ray bremsstrahlung have been carried out to compare with the experimental results. The effect of the axial magnetic field with respect to the microwave launching position and the position of the extraction electrode on the x-ray bremsstrahlung have been studied.

  13. Effects of serotonin (5-HT)1B receptor ligands on amphetamine-seeking behavior in rats.

    Science.gov (United States)

    Miszkiel, Joanna; Przegaliński, Edmund

    2013-01-01

    Numerous studies have indicated that serotonin (5-HT)1B receptor ligands affect the behavioral effects of psychostimulants (cocaine, amphetamine), including the reinforcing activities of these drugs. To substantiate a role for those receptors in incentive motivation for amphetamine, we used the extinction/reinstatement model to examine the effects of the 5-HT1B receptor ligands on the reinstatement of extinguished amphetamine-seeking behavior. Rats trained to self-administer amphetamine (0.06 mg/kg/infusion) subsequently underwent the extinction procedure. These rats were then tested for the amphetamine-primed or amphetamine-associated cue-induced reinstatement of extinguished amphetamine-seeking behavior. The 5-HT1B receptor antagonist SB 216641 (5-7.5 mg/kg) attenuated the amphetamine (1.5 mg/kg)- and the amphetamine-associated cue combined with the threshold dose of amphetamine (0.5 mg/kg)-induced reinstatement of amphetamine-seeking behavior. The 5-HT1B receptor agonist CP 94253 (1.25-5 mg/kg) also inhibited the amphetamine-seeking behavior induced by amphetamine (1.5 mg/kg) but not by the cue combined with the threshold dose of amphetamine. The inhibitory effect of CP94253 on amphetamine-seeking behavior remained unaffected by the 5-HT1B receptor antagonist. Our results indicate that tonic activation of 5-HT1B receptors is involved in amphetamine- and cue-induced reinstatement of amphetamine-seeking behavior and that the inhibitory effects of 5-HT1B receptor antagonists on these phenomena are directly related to the motivational aspects of amphetamine abuse. The inhibitory effect of CP 94253 on amphetamine-seeking behavior seems to be unrelated to 5-HT1B receptor activation and may result from a general reduction of motivation.

  14. Effect of saliva and blood contamination on the bi-axial flexural strength and setting time of two calcium-silicate based cements: Portland cement and biodentine.

    Science.gov (United States)

    Alhodiry, W; Lyons, M F; Chadwick, R G

    2014-03-01

    This study evaluated the effect of contamination with saliva and blood on the bi-axial flexural strength and setting time of pure gray Portland cement and Biodentine (Septodont, Allington, UK). A one-way ANOVA showed that contamination caused no significant difference between the cements in bi-axial flexural strength (P> 0.05). However there was a significant difference in setting time (PPortland cement taking longer than Biodentine, regardless of the contaminant, and contamination with blood increased the setting time of both materials. Biodentine was similar in strength to Portland cement, but had a shorter setting time for both contaminated and non-contaminated samples.

  15. Involvement of direct inhibition of NMDA receptors in the effects of sigma-receptor ligands on glutamate neurotoxicity in vitro.

    Science.gov (United States)

    Nishikawa, H; Hashino, A; Kume, T; Katsuki, H; Kaneko, S; Akaike, A

    2000-09-15

    This study was performed to examine the roles of the N-methyl-D-aspartate (NMDA) receptor/phencyclidine (PCP) channel complex in the protective effects of sigma-receptor ligands against glutamate neurotoxicity in cultured cortical neurons derived from fetal rats. A 1-h exposure of cultures to glutamate caused a marked loss of viability, as determined by Trypan blue exclusion. This acute neurotoxicity of glutamate was prevented by NMDA receptor antagonists. Expression of sigma(1) receptor mRNA in cortical cultures was confirmed by reverse transcription polymerase chain reaction (RT-PCR). sigma Receptor ligands with affinity for NMDA receptor channels including the PCP site, such as (+)-N-allylnormetazocine ((+)-SKF10,047), haloperidol, and R(-)-N-(3-phenyl-1-propyl)-1-phenyl-2-aminopropane ((-)-PPAP), prevented glutamate neurotoxicity in a concentration-dependent manner. In contrast, other sigma-receptor ligands without affinity for NMDA receptors, such as carbetapentane and R(+)-3-(3-hydroxyphenyl)-N-propylpiperidine ((+)-3-PPP), did not show neuroprotective effects. Putative endogenous sigma receptor ligands such as pregnenolone, progesterone, and dehydroepiandrosterone did not affect glutamate neurotoxicity. The protective effects of (+)-SKF10,047, haloperidol, and (-)-PPAP were not affected by the sigma(1) receptor antagonist rimcazole. These results suggested that a direct interaction with NMDA receptors but not with sigma receptors plays a crucial role in the neuroprotective effects of sigma receptor ligands with affinity for NMDA receptors.

  16. Numerical investigations on the effect of the axial interval between intensifying spacer grids on the critical heat flux value for fuel assemblies with non-uniform axial power distribution

    International Nuclear Information System (INIS)

    Kireeva, D.; Oleksyuk, D.

    2015-01-01

    In this paper a number of numerical studies on intensifying heat exchange conducted by NRC 'Kurchatov Institute' are presented. A standardised heat exchange intensifying spacer grid (UDRI) can be installed at any height along the fuel assembly (FA) heat-generating section. When installed at the bottom of a fuel assembly, the UDRI facilitates intensive coolant mixing; the UDRI mounted at the top of a FA provides better mixing and the enhancement in heat exchange. The application of the heat exchange intensifying spacer grids results in better flattening of the coolant parameters along the cross-section and higher critical heat flux ratio. The investigations were carried out by means of numerical code SC-INT using mesh generation that have been specially designed by NRC 'Kurchatov Institute' to perform calculations for fuel assemblies equipped with the intensifying spacer grids. The effect of the axial interval between UDRI grids on the critical heat flux value for two typical axial power shapes has been investigated. The derived optimal solutions for the positioning of intensifying grids are also presented

  17. Coordination-induced spin crossover (CISCO) through axial bonding of substituted pyridines to nickel-porphyrins: sigma-donor versus pi-acceptor effects.

    Science.gov (United States)

    Thies, Steffen; Bornholdt, Claudia; Köhler, Felix; Sönnichsen, Frank D; Näther, Christian; Tuczek, Felix; Herges, Rainer

    2010-09-03

    Nickel-porphyrins, with their rigid quadratic planar coordination framework, provide an excellent model to study the coordination-induced spin crossover (CISCO) effect because bonding of one or two axial ligands to the metal center leads to a spin transition from S=0 to S=1. Herein, both equilibrium constants K(1S) and K(2), and for the first time also the corresponding thermodynamic parameters DeltaH(1S), DeltaH(2), DeltaS(1S), and DeltaS(2), are determined for the reaction of a nickel-porphyrin (Ni-tetrakis(pentafluorophenyl)porphyrin) with different 4-substituted pyridines by temperature-dependent NMR spectroscopy. The association constants K(1S) and K(2) are correlated with the basicity of the 4-substituted pyridines (R: OMe>H>CO(2)Et>NO(2)) whereas the DeltaH(1S) values exhibit a completely different order (OMeCO(2)Et>NO(2)). 4-Nitropyridine exhibits the largest binding enthalpy, which, however, is overcompensated by a large negative binding entropy. We attribute the large association enthalpy of nitropyridine with porphyrin to the back donation of electrons from the Ni d(xz) and d(yz) orbitals into the pi orbitals of pyridine, and the negative association entropy to a decrease in vibrational and internal rotation entropy of the more rigid porphyrin-pyridine complex. Back donation for the nitro- and cyanopyridine complexes is also confirmed by IR spectroscopy, and shows a shift of the N-O and C-N vibrations, respectively, to lower wave numbers. X-ray structures of 2:1 complexes with nitro-, cyano-, and dimethylaminopyridine provide further indication of a back donation. A further trend has been observed: the more basic the pyridine the larger is K(1S) relative to K(2). For nitropyridine K(2) is 17 times larger than K(1S) and in the case of methoxypyridine K(2) and K(1S) are almost equal.

  18. Reversible axial-strain effect in Y-Ba-Cu-O coated conductors

    Energy Technology Data Exchange (ETDEWEB)

    Cheggour, N [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Ekin, J W [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Thieme, C L H [American Superconductor Corporation, Westborough, MA 01581 (United States); Xie, Y-Y [SuperPower Incorporated, Schenectady, NY 12304 (United States); Selvamanickam, V [SuperPower Incorporated, Schenectady, NY 12304 (United States); Feenstra, R [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

    2005-12-15

    The recently discovered reversible strain effect in Y-Ba-Cu-O (YBCO) coated conductors contrasts with the general understanding that the effect of strain on the critical-current density J{sub c} in practical high-temperature superconductors is determined only by crack formation in the ceramic component. Instead of having a constant J{sub c} as a function of strain before an irreversible drop when cracks form in the superconductor, J{sub c} in YBCO coated conductors can decrease or increase reversibly with strain over a significant strain range up to an irreversible strain limit. This reversible effect is present in samples fabricated either with rolling-assisted biaxially textured Ni-W substrates or with ion-beam-assisted deposition on Hastalloy substrates. The reversibility of J{sub c} with strain is observed for thin as well as thick YBCO films, and at two very different temperatures (76 and 4 K). The reversible effect is dependent on temperature and magnetic field, thus indicating its intrinsic nature. We also report an enhancement of the irreversible strain limit {epsilon}{sub irr} where the reversible strain effect ends and YBCO cracking starts. The value of {epsilon}{sub irr} increases from about 0.4% to more than 0.5% when YBCO coated conductors are fabricated with an additional Cu protection layer.

  19. Reversible axial-strain effect in Y-Ba-Cu-O coated conductors

    International Nuclear Information System (INIS)

    Cheggour, N; Ekin, J W; Thieme, C L H; Xie, Y-Y; Selvamanickam, V; Feenstra, R

    2005-01-01

    The recently discovered reversible strain effect in Y-Ba-Cu-O (YBCO) coated conductors contrasts with the general understanding that the effect of strain on the critical-current density J c in practical high-temperature superconductors is determined only by crack formation in the ceramic component. Instead of having a constant J c as a function of strain before an irreversible drop when cracks form in the superconductor, J c in YBCO coated conductors can decrease or increase reversibly with strain over a significant strain range up to an irreversible strain limit. This reversible effect is present in samples fabricated either with rolling-assisted biaxially textured Ni-W substrates or with ion-beam-assisted deposition on Hastalloy substrates. The reversibility of J c with strain is observed for thin as well as thick YBCO films, and at two very different temperatures (76 and 4 K). The reversible effect is dependent on temperature and magnetic field, thus indicating its intrinsic nature. We also report an enhancement of the irreversible strain limit ε irr where the reversible strain effect ends and YBCO cracking starts. The value of ε irr increases from about 0.4% to more than 0.5% when YBCO coated conductors are fabricated with an additional Cu protection layer

  20. Displacement of one Newtonian fluid by another: density effects in axial annular flow

    DEFF Research Database (Denmark)

    Szabo, Peter; Hassager, Ole

    1997-01-01

    The arbitrary Lagrange-Euler (ALE) finite elementtechnique is used to simulate 3D displacement oftwo immiscible Newtonian fluids in vertical annular wells. For equally viscous fluids the effect of distinct fluid densities is investigated in the region of low to intermediate Reynolds numbers......, the efficiency of the displacement is analysed for various flow situations....

  1. The Effect of Precursor Ligands and Oxidation State in the Synthesis of Bimetallic Nano-Alloys

    KAUST Repository

    LaGrow, Alec P.

    2015-05-12

    The characteristics of bimetallic nanomaterials are dictated by their size, shape and elemental distribution. Solution synthesis is widely utilized to form nanomaterials, such as nanoparticles, with controlled size and shape. However, the effects of variables on the characteristics of bimetallic nanomaterials are not completely understood. In this study, we used a continuous-flow synthetic strategy to explore the effects of the ligands and the oxidation state of a metal precursor in a shape-controlled synthesis on the final shape of the nanomaterials and the elemental distribution within the alloy. We demonstrate that this strategy can tune the size of monodisperse PtM (M=Ni or Cu) alloy nanocrystals ranging from 3 to 16 nm with an octahedral shape using acetylacetonate or halide precursors of Pt(II), Pt(IV) and Ni or Cu (II). The nanoparticles formed from halide precursors showed an enrichment of platinum on their surfaces, and the bromides could oxidatively etch the nanoparticles during synthesis with the O2/Br- pair. The two nanocrystal precursors can be uti-lized independently and can control the size with a trend of Pt(acac)2effect of the ligand shell of a precursor during the synthesis of alloy nanoparticles as well as to control, in a scalable manner, the nanomaterial size and surface chemistry.

  2. Thermal convection in a toroidal duct of a liquid metal blanket. Part II. Effect of axial mean flow

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xuan, E-mail: xuanz@umich.edu; Zikanov, Oleg

    2017-03-15

    Highlights: • 2D convection flow develops with internal heating and strong axial magnetic field. • The flow is strongly modified by the buoyancy force associated with growing T{sub m}. • Thermal convection is suppressed at high Gr. • High temperature difference between top and bottom walls is expected at high Gr. - Abstract: The work continues the exploration of the effect of thermal convection on flows in toroidal ducts of a liquid metal blanket. This time we consider the effect of the mean flow along the duct and of the associated heat transfer diverting the heat deposited by captured neutrons. Numerical simulations are conducted for a model system with two-dimensional (streamwise-uniform) fully developed flow, purely toroidal magnetic field, and perfectly electrically and thermally insulating walls. Realistically high Grashof (up to 10{sup 11}) and Reynolds (up to 10{sup 6}) numbers are used. It is found that the flow develops thermal convection in the transverse plane at moderate Grashof numbers. At large Grashof numbers, the flow is dominated by the top-bottom asymmetry of the streamwise velocity and stable stratification of temperature, which are caused by the buoyancy force due to the mean temperature growing along the duct. This leads to suppression of thermal convection, weak mixing, and substantial gradients of wall temperature. Further analysis based on more realistic models is suggested.

  3. Effect of tip clearance on performance of small axial hydraulic turbine

    Science.gov (United States)

    Boynton, J. L.; Rohlik, H. E.

    1976-01-01

    The first two stages of a six stage liquid oxygen turbine were tested in water. One and two stage performance was determined for one shrouded and two unshrouded blade end configurations over ranges of clearance and blade-jet speed ratio. First stage, two stage, and second stage efficiencies are included as well as the effect of clearance on mass flow for two stage operation.

  4. Synthesis of freestanding water-soluble indium oxide nanocrystals capped by alanine nitric acid via ligand exchange for thin film transistors and effects of ligands on the electrical properties

    International Nuclear Information System (INIS)

    Choi, Jin-Kyu; Koh, Ye-Seul; Jeong, Hyun-Dam

    2015-01-01

    We demonstrate synthesis of freestanding water-soluble indium oxide nanocrystals (In 2 O 3 NCs) by ligand exchange to β-alanine nitric acid (Ala·HNO 3 ) and its application for active channel layer in thin film transistors (TFTs), with investigation of the effect of curing temperatures on the TFT properties in terms of thermal behaviour of the ligand molecules at 150, 300, and 350 °C. After ligand exchange from long alkyl ligand (myristic acid, MA) to short Ala·HNO 3 , the mobility of NC TFTs cured at 150 °C increased by over 1 order of magnitude, from 1.3 × 10 −4 cm 2 V -1 s −1 to 4.5 × 10 −3 cm 2 V -1 s −1 , due to enhanced tunnelling rate (Γ) between adjective NCs. Higher curing temperatures such as 300 and 350 °C, inducing thermal decomposition of the organic ligands, led to further enhancement of the mobility, particularly up to 2.2 cm 2 V -1 s −1 for the In 2 O 3 NC-Ala·HNO 3 TFT cured at 350 °C. It is also found that the ligand exchange of In 2 O 3 NC in acidic condition (e.g. HNO 3 ) would be simple and effective to reduce the surface defects by surface etching, which may lead to better device performances. - Graphical abstract: Display Omitted - Highlights: • Freestanding water-soluble In 2 O 3 nanocrystals (NCs) were synthesized by ligand exchange. • Thin film transistors (TFTs) of colloidal NCs were fabricated by spin-coating method. • Water-soluble In 2 O 3 NC TFTs showed higher mobilities due to shorter ligand length. • Surface defects of NCs were notably reduced by surface etching during ligand exchange

  5. Inorganic-ligand exchanging time effect in PbS quantum dot solar cell

    International Nuclear Information System (INIS)

    Kim, Byung-Sung; Hong, John; Hou, Bo; Cho, Yuljae; Sohn, Jung Inn; Cha, SeungNam; Kim, Jong Min

    2016-01-01

    We investigate time-dependent inorganic ligand exchanging effect and photovoltaic performance of lead sulfide (PbS) nanocrystal films. With optimal processing time, volume shrinkage induced by residual oleic acid of the PbS colloidal quantum dot (CQD) was minimized and a crack-free film was obtained with improved flatness. Furthermore, sufficient surface passivation significantly increased the packing density by replacing from long oleic acid to a short iodide molecule. It thus facilities exciton dissociation via enhanced charge carrier transport in PbS CQD films, resulting in the improved power conversion efficiency from 3.39% to 6.62%. We also found that excess iodine ions on the PbS surface rather hinder high photovoltaic performance of the CQD solar cell.

  6. Inorganic-ligand exchanging time effect in PbS quantum dot solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Byung-Sung; Hong, John; Hou, Bo; Cho, Yuljae; Sohn, Jung Inn, E-mail: junginn.sohn@eng.ox.ac.uk, E-mail: seungnam.cha@eng.ox.ac.uk; Cha, SeungNam, E-mail: junginn.sohn@eng.ox.ac.uk, E-mail: seungnam.cha@eng.ox.ac.uk [Department of Engineering Science, University of Oxford, Parks Road, Oxford OX1 3PJ (United Kingdom); Kim, Jong Min [Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge CB3 0FA (United Kingdom)

    2016-08-08

    We investigate time-dependent inorganic ligand exchanging effect and photovoltaic performance of lead sulfide (PbS) nanocrystal films. With optimal processing time, volume shrinkage induced by residual oleic acid of the PbS colloidal quantum dot (CQD) was minimized and a crack-free film was obtained with improved flatness. Furthermore, sufficient surface passivation significantly increased the packing density by replacing from long oleic acid to a short iodide molecule. It thus facilities exciton dissociation via enhanced charge carrier transport in PbS CQD films, resulting in the improved power conversion efficiency from 3.39% to 6.62%. We also found that excess iodine ions on the PbS surface rather hinder high photovoltaic performance of the CQD solar cell.

  7. Experimental investigation about the effect of non-axisymmetric wake impact on a low speed axial compressor

    Science.gov (United States)

    Liu, Jianyong; Lu, Yajun; Li, Zhiping

    2010-05-01

    Non-axisymmetric wake impact experiments were carried out after the best exciting frequency for a low speed axial compressor had been found by axisymmetric wake impact experiments. When the number and circumferential distribution of inlet guide vanes (IGV) are logical the wakes of non-axisymmetric IGVs can exert beneficial unsteady exciting effect on their downstream rotor flow fields and improve the compressor’s performance. In the present paper, four non-axisymmetric wake impact plans were found working better than the axisymmetric wake impact plan. Compared with the base plan, the best non-axisymmetric plan increased the compressor’s peak efficiency, and the total pressure rise by 1.1 and 2%, and enhanced the stall margin by 4.4%. The main reason why non-axisymmetric plans worked better than the axisymmetric plan was explained as the change of the unsteady exciting signal arising from IGV wakes. Besides the high-frequency components, the non-axisymmetric plan generated a beneficial low-frequency square-wave exciting signal and other secondary frequency components. Compared with the axisymmetric plan, multi-frequency exciting wakes arising from the non-axisymmetric plans are easier to get coupling relation with complex vortices such as clearance vortices, passage vortices and shedding vortices.

  8. Analysis of thermal ratchetting of a cylinder subjected to axially moving temperature front. Effect of kinematic hardening rule

    International Nuclear Information System (INIS)

    Ohno, Nobutada; Yari, Takashi; Kobayashi, Mineo

    1995-01-01

    When a cylinder is subjected to a temperature front moving cyclically in the axial direction, the circumferential plastic strain may accumulate with the increase of the number of cycles. This is a thermal ratchetting problem induced by a liquid surface moving in a cylinder, and it is important especially in designing fast breeder reactors. In the present paper, the effect of kinematic hardening rule on the thermal ratchetting analysis is discussed by implementing the following four kinds of kinematic hardening rules in a finite element analysis; the perfectly plastic model (PP), the linear kinematic hardening rule (LKH), the classical nonlinear kinematic hardening rule of Armstrong and Frederick (AF), and the rule proposed recently by Ohno and Wang (OW). It is shown that disregard of transient hardening after yielding leads to overestimating the thermal ratchetting, that a rule predicting larger mechanical ratchetting under uniaxial cyclic loading makes the thermal ratchetting more serious, and that the Ohno and Wang rule can render the analysis most realistic among them. (author)

  9. Chemical modification of protein a chromatography ligands with polyethylene glycol. II: Effects on resin robustness and process selectivity.

    Science.gov (United States)

    Weinberg, Justin; Zhang, Shaojie; Kirkby, Allison; Shachar, Enosh; Carta, Giorgio; Przybycien, Todd

    2018-04-20

    We have proposed chemical modification of Protein A (ProA) chromatography ligands with polyethylene glycol (PEGylation) as a strategy to increase the resin selectivity and robustness by providing the ligand with a steric repulsion barrier against non-specific binding. Here, we report on robustness and selectivity benefits for Repligen CaptivA PriMAB resin with ligands modified with 5.2 kDa and 21.5 kDa PEG chains, respectively. PEGylation of ProA ligands allowed the resin to retain a higher percentage of static binding capacity relative to the unmodified resin upon digestion with chymotrypsin, a representative serine protease. The level of protection against digestion was independent of the PEG molecular weight or modification extent for the PEGylation chemistry used. Additionally, PEGylation of the ligands was found to decrease the level of non-specific binding of fluorescently labeled bovine serum albumin (BSA) aggregates to the surface of the resin particles as visualized via confocal laser scanning microscopy (CLSM). The level of aggregate binding decreased as the PEG molecular weight increased, but increasing the extent of modification with 5.2 kDa PEG chains had no effect. Further examination of resin particles via CLSM confirmed that the PEG chains on the modified ligands were capable of blocking the "hitchhiking" association of BSA, a mock contaminant, to an adsorbed mAb that is prone to BSA binding. Ligands modified with 21.5 kDa PEG chains were effective at blocking the association, while ligands modified with 5.2 kDa PEG chains were not. Finally, ligands with 21.5 kDa PEG chains increased the selectivity of the resin against host cell proteins (HCPs) produced by Chinese Hamster Ovary (CHO) cells by up to 37% during purification of a monoclonal antibody (mAb) from harvested cell culture fluid (HCCF) using a standard ProA chromatography protocol. The combined work suggests that PEGylating ProA chromatography media is a viable pathway for

  10. Effect of Ligand Exchange on the Photoluminescence Properties of Cu-Doped Zn-In-Se Quantum Dots

    Science.gov (United States)

    Dong, Xiaofei; Xu, Jianping; Yang, Hui; Zhang, Xiaosong; Mo, Zhaojun; Shi, Shaobo; Li, Lan; Yin, Shougen

    2018-04-01

    The surface-bound ligands of a semiconductor nanocrystal can affect its electron transition behavior. We investigate the photoluminescence (PL) properties of Cu-doped Zn-In-Se quantum dots (QDs) through the exchange of oleylamine with 6-mercaptohexanol (MCH). Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies, and mass spectrometry reveal that the short-chain MCH molecules are bound to the QD surface. The emission peaks remain unchanged after ligand exchange, and the PL quantum yield is reduced from 49% to 38%. The effects of particle size and defect type on the change in PL behavior upon ligand substitution are excluded through high-resolution transmission electron microscopy, UV-Vis absorption, and PL spectroscopies. The origin of the decreased PL intensity is associated with increased ligand density and the stronger ligand electron-donating abilities of MCH-capped QDs that induce an increase in the nonradiative transition probability. A lower PL quenching transition temperature is observed for MCH-capped QDs and is associated with increasing electron-acoustic phonon coupling due to the lower melting temperature of MCH.

  11. Flow and axial dispersion in a sinusoidal-walled tube: Effects of inertial and unsteady flows

    Science.gov (United States)

    Richmond, Marshall C.; Perkins, William A.; Scheibe, Timothy D.; Lambert, Adam; Wood, Brian D.

    2013-12-01

    In this work, we consider a sinusoidal-walled tube (a three-dimensional tube with sinusoidally-varying diameter) as a simplified conceptualization of flow in porous media. Direct numerical simulation using computational fluid dynamics (CFD) methods was used to compute velocity fields by solving the Navier-Stokes equations, and also to numerically solve the volume averaging closure problem, for a range of Reynolds numbers (Re) spanning the low-Re to inertial flow regimes, including one simulation at Re=449 for which unsteady flow was observed. The longitudinal dispersion observed for the flow was computed using a random walk particle tracking method, and this was compared to the longitudinal dispersion predicted from a volume-averaged macroscopic mass balance using the method of volume averaging; the results of the two methods were consistent. Our results are compared to experimental measurements of dispersion in porous media and to previous theoretical results for both the low-Re, Stokes flow regime and for values of Re representing the steady inertial regime. In the steady inertial regime, a power-law increase in the effective longitudinal dispersion (DL) with Re was found, and this is consistent with previous results. This rapid rate of increase is caused by trapping of solute in expansions due to flow separation (eddies). One unsteady (but non-turbulent) flow case (Re=449) was also examined. For this case, the rate of increase of DL with Re was smaller than that observed at lower Re. Velocity fluctuations in this regime lead to increased rates of solute mass transfer between the core flow and separated flow regions, thus diminishing the amount of tailing caused by solute trapping in eddies and thereby reducing longitudinal dispersion. The observed tailing was further explored through analysis of concentration skewness (third moment) and its assymptotic convergence to conventional advection-dispersion behavior (skewness = 0). The method of volume averaging was

  12. Nanostructured lipid carriers used for oral delivery of oridonin: an effect of ligand modification on absorption.

    Science.gov (United States)

    Zhou, Xiaotong; Zhang, Xingwang; Ye, Yanghuan; Zhang, Tianpeng; Wang, Huan; Ma, Zhiguo; Wu, Baojian

    2015-02-20

    Oridonin (Ori) is a natural compound with notable anti-inflammation and anti-cancer activities. However, therapeutic use of this compound is limited by its poor solubility and low bioavailability. Here a novel biotin-modified nanostructured lipid carrier (NLC) was developed to enhance the bioavailability of Ori. The effect of ligand (biotin) modification on oral absorption of Ori encapsulated in NLCs was also explored. Ori-loaded NLCs (Ori-NLCs) were prepared by the melt dispersion-high pressure homogenization method. Biotin modification of Ori-NLCs was achieved by EDC and NHS in aqueous phase. The obtained biotin-decorated Ori-NLCs (Bio-Ori-NLCs) were 144.9nm in size with an entrapment efficiency of 49.54% and a drug load of 4.81%. Oral bioavailability was enhanced by use of Bio-Ori-NLCs with a relative bioavailability of 171.01%, while the value of non-modified Ori-NLCs was improved to 143.48%. Intestinal perfusion showed that Ori solution unexpectedly exhibited a moderate permeability, indicating that permeability was not a limiting factor of Ori absorption. Ori could be rapidly metabolized that was the main cause of low bioavailability. However, there was a difference in the enhancement of bioavailability between Bio-Ori-NLCs and conventional NLCs. Although severe lipolyses happened both on Bio-Ori-NLCs and non-modified NLCs, the performance of Bio-Ori-NLCs in the bioavailability improvement was more significant. Overall, Bio-Ori-NLCs can further promote the oral absorption of Ori by a ligand-mediated active transport. It may be a promising carrier for the oral delivery of Ori. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Molecular Dynamics Modeling of the Effect of Axial and Transverse Compression on the Residual Tensile Properties of Ballistic Fiber

    Directory of Open Access Journals (Sweden)

    Sanjib C. Chowdhury

    2017-02-01

    Full Text Available Ballistic impact induces multiaxial loading on Kevlar® and polyethylene fibers used in protective armor systems. The influence of multiaxial loading on fiber failure is not well understood. Experiments show reduction in the tensile strength of these fibers after axial and transverse compression. In this paper, we use molecular dynamics (MD simulations to explain and develop a fundamental understanding of this experimental observation since the property reduction mechanism evolves from the atomistic level. An all-atom MD method is used where bonded and non-bonded atomic interactions are described through a state-of-the-art reactive force field. Monotonic tension simulations in three principal directions of the models are conducted to determine the anisotropic elastic and strength properties. Then the models are subjected to multi-axial loads—axial compression, followed by axial tension and transverse compression, followed by axial tension. MD simulation results indicate that pre-compression distorts the crystal structure, inducing preloading of the covalent bonds and resulting in lower tensile properties.

  14. Inhibitory effect on hepatitis B virus in vitro by a peroxisome proliferator-activated receptor-γ ligand, rosiglitazone

    International Nuclear Information System (INIS)

    Wakui, Yuta; Inoue, Jun; Ueno, Yoshiyuki; Fukushima, Koji; Kondo, Yasuteru; Kakazu, Eiji; Obara, Noriyuki; Kimura, Osamu; Shimosegawa, Tooru

    2010-01-01

    Although chronic infection of hepatitis B virus (HBV) is currently managed with nucleot(s)ide analogues or interferon-α, the control of HBV infection still remains a clinical challenge. Peroxisome proliferator-activated receptor (PPAR) is a ligand-activated transcription factor, that plays a role in glucose and lipid metabolism, immune reactions, and inflammation. In this study, the suppressive effect of PPAR ligands on HBV replication was examined in vitro using a PPARα ligand, bezafibrate, and a PPARγ ligand, rosiglitazone. The effects were examined in HepG2 cells transfected with a plasmid containing 1.3-fold HBV genome. Whereas bezafibrate showed no effect against HBV replication, rosiglitazone reduced the amount of HBV DNA, hepatitis B surface antigen, and hepatitis B e antigen in the culture supernatant. Southern blot analysis showed that the replicative intermediates of HBV in the cells were also inhibited. It was confirmed that GW9662, an antagonist of PPARγ, reduced the suppressive effect of rosiglitazone on HBV. Moreover, rosiglitazone showed a synergistic effect on HBV replication with lamivudine or interferon-α-2b. In conclusion, this study showed that rosiglitazone inhibited the replication of HBV in vitro, and suggested that the combination therapy of rosiglitazone and nucleot(s)ide analogues or interferon could be a therapeutic option for chronic HBV infection.

  15. Inhibitory effect on hepatitis B virus in vitro by a peroxisome proliferator-activated receptor-{gamma} ligand, rosiglitazone

    Energy Technology Data Exchange (ETDEWEB)

    Wakui, Yuta; Inoue, Jun [Division of Gastroenterology, Tohoku University Graduate School of Medicine, 1-1 Seiryo, Aobaku, Sendai 980-8574 (Japan); Ueno, Yoshiyuki, E-mail: yueno@mail.tains.tohoku.ac.jp [Division of Gastroenterology, Tohoku University Graduate School of Medicine, 1-1 Seiryo, Aobaku, Sendai 980-8574 (Japan); Fukushima, Koji; Kondo, Yasuteru; Kakazu, Eiji; Obara, Noriyuki; Kimura, Osamu; Shimosegawa, Tooru [Division of Gastroenterology, Tohoku University Graduate School of Medicine, 1-1 Seiryo, Aobaku, Sendai 980-8574 (Japan)

    2010-05-28

    Although chronic infection of hepatitis B virus (HBV) is currently managed with nucleot(s)ide analogues or interferon-{alpha}, the control of HBV infection still remains a clinical challenge. Peroxisome proliferator-activated receptor (PPAR) is a ligand-activated transcription factor, that plays a role in glucose and lipid metabolism, immune reactions, and inflammation. In this study, the suppressive effect of PPAR ligands on HBV replication was examined in vitro using a PPAR{alpha} ligand, bezafibrate, and a PPAR{gamma} ligand, rosiglitazone. The effects were examined in HepG2 cells transfected with a plasmid containing 1.3-fold HBV genome. Whereas bezafibrate showed no effect against HBV replication, rosiglitazone reduced the amount of HBV DNA, hepatitis B surface antigen, and hepatitis B e antigen in the culture supernatant. Southern blot analysis showed that the replicative intermediates of HBV in the cells were also inhibited. It was confirmed that GW9662, an antagonist of PPAR{gamma}, reduced the suppressive effect of rosiglitazone on HBV. Moreover, rosiglitazone showed a synergistic effect on HBV replication with lamivudine or interferon-{alpha}-2b. In conclusion, this study showed that rosiglitazone inhibited the replication of HBV in vitro, and suggested that the combination therapy of rosiglitazone and nucleot(s)ide analogues or interferon could be a therapeutic option for chronic HBV infection.

  16. Complete relaxation and conformational exchange matrix (CORCEMA) analysis of intermolecular saturation transfer effects in reversibly forming ligand-receptor complexes.

    Science.gov (United States)

    Jayalakshmi, V; Krishna, N Rama

    2002-03-01

    A couple of recent applications of intermolecular NOE (INOE) experiments as applied to biomolecular systems involve the (i) saturation transfer difference NMR (STD-NMR) method and (ii) the intermolecular cross-saturation NMR (ICS-NMR) experiment. STD-NMR is a promising tool for rapid screening of a large library of compounds to identify bioactive ligands binding to a target protein. Additionally, it is also useful in mapping the binding epitopes presented by a bioactive ligand to its target protein. In this latter application, the STD-NMR technique is essentially similar to the ICS-NMR experiment, which is used to map protein-protein or protein-nucleic acid contact surfaces in complexes. In this work, we present a complete relaxation and conformational exchange matrix (CORCEMA) theory (H. N. B. Moseley et al., J. Magn. Reson. B 108, 243-261 (1995)) applicable for these two closely related experiments. As in our previous work, we show that when exchange is fast on the relaxation rate scale, a simplified CORCEMA theory can be formulated using a generalized average relaxation rate matrix. Its range of validity is established by comparing its predictions with those of the exact CORCEMA theory which is valid for all exchange rates. Using some ideal model systems we have analyzed the factors that influence the ligand proton intensity changes when the resonances from some protons on the receptor protein are saturated. The results show that the intensity changes in the ligand signals in an intermolecular NOE experiment are very much dependent upon: (1) the saturation time, (2) the location of the saturated receptor protons with respect to the ligand protons, (3) the conformation of the ligand-receptor interface, (4) the rotational correlation times for the molecular species, (5) the kinetics of the reversibly forming complex, and (6) the ligand/receptor ratio. As an example of a typical application of the STD-NMR experiment we have also simulated the STD effects for a

  17. The effect of axial ion parameters on the properties of glow discharge polymer in T2B/H2 plasma

    Science.gov (United States)

    Ai, Xing; He, Xiao-Shan; Huang, Jing-Lin; He, Zhi-Bing; Du, Kai; Chen, Guo

    2018-03-01

    Glow discharge polymer (GDP) films were fabricated using plasma-enhanced chemical vapor deposition. The main purpose of this work was to explore the correlations of plasma parameters with the surface morphology and chemical structure of GDP films. The intensities of main positive ions and ion energy as functions of axial distances in T2B/H2 plasma were diagnosed using energy-resolved mass spectrometry. The surface morphology and chemical structure were characterized as functions of axial distances using a scanning electron microscope and Fourier transform infrared spectroscopy, respectively. As the axial distance increases, both the intensities of positive ions and high energy ions decreases, and dissociation weakens while polymerization enhances. This leads to the weakening of the cross-linking structure of GDP films and the formation of dome defects on films. Additionally, high energy ions could introduce a strong etching effect to form etching pits. Therefore, an axial distance of about 20 mm was found to be the optimal plasma parameter to prepare the defect-free GDP films. These results could help one to find the optimal plasma parameters for GDP film deposition.

  18. Triply coupled vibrational band gap in a periodic and nonsymmetrical axially loaded thin-walled Bernoulli-Euler beam including the warping effect

    International Nuclear Information System (INIS)

    Yu Dianlong; Fang Jianyu; Cai Li; Han Xiaoyun; Wen Jihong

    2009-01-01

    The propagation of triply coupled vibrations in a periodic, nonsymmetrical and axially loaded thin-walled Bernoulli-Euler beam composed of two kinds of materials is investigated with the transfer matrix method. The cross-section of the beam lacks symmetrical axes, and bending vibrations in the two perpendicular directions are coupled with torsional vibrations. Furthermore, the effect of warping stiffness is included. The band structures of the periodic beam, both including and excluding the warping effect, are obtained. The frequency response function of the finite periodic beam is simulated with the finite element method. These simulations show large vibration-based attenuation in the frequency range of the gap, as expected. By comparing the band structure of the beam with plane wave expansion method calculations that are available in the literature, one finds that including the warping effect leads to a more accurate simulation. The effects of warping stiffness and axial force on the band structure are also discussed.

  19. Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite Reductase

    DEFF Research Database (Denmark)

    Farver, Ole; Wijma, Hein J.; MacPherson, Iain

    2007-01-01

    Copper-containing nitrite reductase harbors a type-1 and a type-2 Cu site. The former acts as the electron acceptor site of the enzyme, and the latter is the site of catalytic action. The effect of the methionine ligand on the reorganization energy of the type-1 site was explored by studying...

  20. Effects of flickering light on refraction and changes in eye axial length of C57BL/6 mice.

    Science.gov (United States)

    Yu, Ying; Chen, Hui; Tuo, Jingsheng; Zhu, Yin

    2011-01-01

    To investigate the effectiveness and feasibility of inducing myopia in mice by flickering-light (FL) stimulation. Forty-five 28-day-old C57BL/6 (B6) mice were randomly assigned to three groups: control group, FL stimulation group and form deprivation (FD) group. Mice in the control group were raised under 250 lux illumination from 8:00 a.m. to 8:00 p.m. Mice in the FL group were raised under illumination with a duty cycle of 50% at a flash rate of 2 Hz from 8:00 a.m. to 8:00 p.m. for 6 weeks. Mice in the FD group were raised under the same conditions as the control group; the right eyes of the mice were covered with semitransparent hemispherical plastic shells serving as eye diffusers. The refractive state and axial length (AL) of the right eyes were measured by eccentric infrared photorefraction and A-scan ultrasonography, respectively, before treatment and after 2, 4, 6 or 8 weeks' treatment. After 6 weeks' exposure to FL, the refraction became more myopic compared with the control group as indicated by longer AL compared with the control group (p < 0.05); the FD eyes were more myopic than the FL eyes (p < 0.05). However, some mice lost their eye diffusers, and lens opacities were found. Myopia can be induced by FL in B6 mice. The myopic shift induced by FL is less than that induced by FD, but FL causes fewer side effects, and is safery and easier to manipulate. Copyright © 2011 S. Karger AG, Basel.

  1. Origin of axial current in scyllac

    International Nuclear Information System (INIS)

    Sugisaki, K.

    1975-12-01

    The origin of the axial current observed in Scyllac (a high beta stellarator experiment) is discussed. A shaped coil and/or helical winding produce rotational transform which links magnetic lines of force to the plasma column and the axial current is induced electromagnetically. This phenomenon is inherent in a pulsed high-beta stellarator. The rotational transform produced by the induced axial current is much smaller than that associated with the l = 1, 0 equilibrium fields. The effect of the axial current on the equilibrium and stability of the plasma column is thus small. It is also shown that the magnetic field shear near a plasma surface is very strong

  2. Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.

    Science.gov (United States)

    Rahaman, Obaidur; Estrada, Trilce P; Doren, Douglas J; Taufer, Michela; Brooks, Charles L; Armen, Roger S

    2011-09-26

    The performances of several two-step scoring approaches for molecular docking were assessed for their ability to predict binding geometries and free energies. Two new scoring functions designed for "step 2 discrimination" were proposed and compared to our CHARMM implementation of the linear interaction energy (LIE) approach using the Generalized-Born with Molecular Volume (GBMV) implicit solvation model. A scoring function S1 was proposed by considering only "interacting" ligand atoms as the "effective size" of the ligand and extended to an empirical regression-based pair potential S2. The S1 and S2 scoring schemes were trained and 5-fold cross-validated on a diverse set of 259 protein-ligand complexes from the Ligand Protein Database (LPDB). The regression-based parameters for S1 and S2 also demonstrated reasonable transferability in the CSARdock 2010 benchmark using a new data set (NRC HiQ) of diverse protein-ligand complexes. The ability of the scoring functions to accurately predict ligand geometry was evaluated by calculating the discriminative power (DP) of the scoring functions to identify native poses. The parameters for the LIE scoring function with the optimal discriminative power (DP) for geometry (step 1 discrimination) were found to be very similar to the best-fit parameters for binding free energy over a large number of protein-ligand complexes (step 2 discrimination). Reasonable performance of the scoring functions in enrichment of active compounds in four different protein target classes established that the parameters for S1 and S2 provided reasonable accuracy and transferability. Additional analysis was performed to definitively separate scoring function performance from molecular weight effects. This analysis included the prediction of ligand binding efficiencies for a subset of the CSARdock NRC HiQ data set where the number of ligand heavy atoms ranged from 17 to 35. This range of ligand heavy atoms is where improved accuracy of predicted ligand

  3. Pure axial flow of viscoelastic fluids in rectangular microchannels under combined effects of electro-osmosis and hydrodynamics

    Science.gov (United States)

    Reshadi, Milad; Saidi, Mohammad Hassan; Ebrahimi, Abbas

    2018-02-01

    This paper presents an analysis of the combined electro-osmotic and pressure-driven axial flows of viscoelastic fluids in a rectangular microchannel with arbitrary aspect ratios. The rheological behavior of the fluid is described by the complete form of Phan-Thien-Tanner (PTT) model with the Gordon-Schowalter convected derivative which covers the upper convected Maxwell, Johnson-Segalman and FENE-P models. Our numerical simulation is based on the computation of 2D Poisson-Boltzmann, Cauchy momentum and PTT constitutive equations. The solution of these governing nonlinear coupled set of equations is obtained by using the second-order central finite difference method in a non-uniform grid system and is verified against 1D analytical solution of the velocity profile with less than 0.06% relative error. Also, a parametric study is carried out to investigate the effect of channel aspect ratio (width to height), wall zeta potential and the Debye-Hückel parameter on 2D velocity profile, volumetric flow rate and the Poiseuille number in the mixed EO/PD flows of viscoelastic fluids with different Weissenberg numbers. Our results show that, for low channel aspect ratios, the previous 1D analytical models underestimate the velocity profile at the channel half-width centerline in the case of favorable pressure gradients and overestimate it in the case of adverse pressure gradients. The results reveal that the inapplicability of the Debye-Hückel approximation at high zeta potentials is more significant for higher Weissenberg number fluids. Also, it is found that, under the specified values of electrokinetic parameters, there is a threshold for velocity scale ratio in which the Poiseuille number is approximately independent of channel aspect ratio.

  4. Effect of preservation of the C-6 spinous process and its paraspinal muscular attachment on the prevention of postoperative axial neck pain in C3-6 laminoplasty.

    Science.gov (United States)

    Mori, Eiji; Ueta, Takayoshi; Maeda, Takeshi; Yugué, Itaru; Kawano, Osamu; Shiba, Keiichiro

    2015-03-01

    Axial neck pain after C3-6 laminoplasty has been reported to be significantly lesser than that after C3-7 laminoplasty because of the preservation of the C-7 spinous process and the attachment of nuchal muscles such as the trapezius and rhomboideus minor, which are connected to the scapula. The C-6 spinous process is the second longest spinous process after that of C-7, and it serves as an attachment point for these muscles. The effect of preserving the C-6 spinous process and its muscular attachment, in addition to preservation of the C-7 spinous process, on the prevention of axial neck pain is not well understood. The purpose of the current study was to clarify whether preservation of the paraspinal muscles of the C-6 spinous process reduces postoperative axial neck pain compared to that after using nonpreservation techniques. The authors studied 60 patients who underwent C3-6 double-door laminoplasty for the treatment of cervical spondylotic myelopathy or cervical ossification of the posterior longitudinal ligament; the minimum follow-up period was 1 year. Twenty-five patients underwent a C-6 paraspinal muscle preservation technique, and 35 underwent a C-6 nonpreservation technique. A visual analog scale (VAS) and VAS grading (Grades I-IV) were used to assess axial neck pain 1-3 months after surgery and at the final follow-up examination. Axial neck pain was classified as being 1 of 5 types, and its location was divided into 5 areas. The potential correlation between the C-6/C-7 spinous process length ratio and axial neck pain was examined. The mean VAS scores (± SD) for axial neck pain were comparable between the C6-preservation group and the C6-nonpreservation group in both the early and late postoperative stages (4.1 ± 3.1 vs 4.0 ± 3.2 and 3.8 ± 2.9 vs 3.6 ± 3.0, respectively). The distribution of VAS grades was comparable in the 2 groups in both postoperative stages. Stiffness was the most prevalent complaint in both groups (64.0% and 54

  5. Ligand effect on the performance of organic light-emitting diodes based on europium complexes

    International Nuclear Information System (INIS)

    Fang Junfeng; You Han; Gao Jia; Lu Wu; Ma Dongge

    2007-01-01

    A series of europium complexes were synthesized and their electroluminescent (EL) characteristics were studied. It was found by comparison that the different substituted groups, such as methyl, chlorine, and nitryl, on ligand 1,10-phenanthroline affect significantly the EL performance of devices based on these complexes. The more methyl-substituted groups on ligand 1,10-phenanthroline led to higher device efficiency. A chlorine-substituted group showed the approximate EL performance as two methyl-substituted groups, whereas a nitryl substituent reduced significantly the EL luminous efficiency. However, β-diketonate ligand TTA and DBM exhibited similar EL performance. The improved EL luminous efficiency by proper substituted groups on the 1,10-phenanthroline was attributed to the reduction of the energy loss caused by light hydrogen atom vibration, as well as concentration quenching caused by intermolecular interaction, and the match of energy level between the ligand and Eu 3+

  6. Effect of organic ligands on the soil behavior of technetium-99

    International Nuclear Information System (INIS)

    Martin, L.Y.; Franz, J.A.

    1980-06-01

    Results of studies on the effects of organics on 99 Tc mobility are reported. The effects of organics (EDTA,DTPA and citrate) on the sorption/migration of Tc is examined from two aspects, first by desorption techniques where reduced, sorbed Tc is exposed to organic ligands; and second, by exposure of synthetic Tc-organic complexes to soils. A calcareous, sandy, loam Hanford soil (pH approx. 8.2) was used. Very little desorption of the reduced Tc has occurred both in the 10 day study (95-87% remains sorbed for 10 -6 to 10 -8 M levels even at cit/Tc - 10,000= and even less desorption is observed in the extended 45 day study (95-90% remains sorbed for 10 -6 to 10 -9 M levels). Similar results were also observed when a stronger chelating agent such as EDTA was used. Approximately 95% of the reduced Tc remains sorbed for the 10 -5 to 10 -6 M levels and approx. 70 remains sorbed at 10 -7 M

  7. Effect of Temperature on the Protonation of the TALSPEAK Ligands: Lactic and Diethylenetrinitropentaacetic Acids

    International Nuclear Information System (INIS)

    Tian, Guoxin; Rao, Linfeng

    2009-01-01

    The protonation reactions of two ligands that play important roles in the TALSPEAK process for the separation of trivalent actinides from lanthanides, lactic acid and diethylenetrinitropentaacetic acid (DTPA), have been studied at variable temperatures. The protonation constants at 10-70 C were determined by titration potentiometry and the protonation enthalpies were determined at 25 C by titration microcalorimetry. The protonation constants remain essentially unchanged (25-70 C) within the experimental uncertainties, indicating that the effect of temperature on the protonation of lactate is insignificant. In contrast, the protonation constants of DTPA (log βH's) generally decrease as the temperature is increased. Results from this study indicate that the effect of temperature on the protonation of DTPA could alter the speciation of metal ions (actinides and lanthanides) in the TALSPEAK system, since lower values of logβH at higher temperatures suggest that the hydrogen ions would compete less strongly with the metal ions for the complexation of DTPA at higher temperatures.

  8. Syn-anti conformational switching in an ethane-bridged Co(II)bisporphyrin induced by external stimuli: effects of inter-macrocyclic interactions, axial ligation and chemical and electrochemical oxidations.

    Science.gov (United States)

    Dey, Soumyajit; Rath, Sankar Prasad

    2014-02-07

    The syn-anti conformational switching has been demonstrated in the ethane-bridged dicobalt(II)bisporphyrin which is present in the syn-form only. The addition of either perylene or axial ligands to Co(II)(bisporphyrin) completely transforms the syn form into the anti because of strong π-π interaction and axial coordination, respectively. The complex undergoes four 1e-oxidations in CH2Cl2 which are indicative of strong through space interactions between the two cofacial Co-porphyrins at 295 K. The first oxidation is a metal centered one and occurs at a potential much lower than that of the monomeric analog. However, the second oxidation, which is again metal centered, was at a significantly higher potential. The large difference between the first two oxidations, as observed here, is due to much stronger inter-porphyrin interactions. The step-wise oxidations have been performed both chemically and electro-chemically while the progress of the reactions was monitored by UV-visible and (1)H NMR spectroscopy. After 1e-oxidation, a very broad (1)H NMR signal results with increased difference between two meso resonances, which indicates that the two macrocycles are in the syn-form with lesser interplanar separation as also observed by DFT. However, 2e-oxidation results in the stabilization of the anti form. The addition of axial ligands to Co(II)(bisporphyrin) also completely transforms the syn form into the anti form. While additions of THF and I2/I(-) both result in the formation of five-coordinate complexes, Co(II) is oxidized to Co(III) in the case of the latter. However, additions of 1-methylimidazole, pyridine and pyrazine as axial ligands result in the formation of a six-coordinate complex in which Co(II) is spontaneously oxidized to Co(III) in air.

  9. Reactivity and effectiveness of traditional and novel ligands for multi-micronutrient fertilization in a calcareous soil.

    Science.gov (United States)

    López-Rayo, Sandra; Nadal, Paloma; Lucena, Juan J

    2015-01-01

    This study compares the effectiveness of multi-micronutrient formulations containing iron (Fe), manganese (Mn), and zinc (Zn) with traditional (EDTA, DTPA, HEEDTA, and EDDHAm) or novel chelates (o,p-EDDHA, S,S-EDDS, and IDHA) and natural complexing agents (gluconate and lignosulfonate). The stability and reactivity of the formulations were studied on batch experiments with calcareous soil and by speciation modeling. Formulations containing traditional ligands maintained higher Mn but lower Zn concentration in soil solution than the novel ligands. The gluconate and lignosulfonate maintained low concentrations of both Mn and Zn in soil solution. Selected formulations were applied into calcareous soil and their efficacy was evaluated in a pot experiment with soybean. The formulation containing DTPA led to the highest Zn concentration in plants, as well as the formulation containing S,S-EDDS in the short-term, which correlated with its biodegradability. The application of traditional or novel ligands in formulations did not result in sufficient plant Mn concentrations, which was related to the low Mn stability observed for all formulations under moderate oxidation conditions. The results highlight the need to consider the effect of metals and ligands interactions in multi-nutrient fertilization and the potential of S,S-EDDS to be used for Zn fertilization. Furthermore, it is necessary to explore new sources of Mn fertilization for calcareous soils that have greater stability and efficiency, or instead to use foliar fertilization.

  10. Reactivity and effectiveness of traditional and novel ligands for multi-micronutrient fertilization in a calcareous soil

    Directory of Open Access Journals (Sweden)

    Sandra eLópez-Rayo

    2015-09-01

    Full Text Available This study compares the effectiveness of multi-micronutrient formulations containing Fe, Mn, and Zn with traditional (EDTA, DTPA, HEEDTA, EDDHAm or novel chelates (o,p-EDDHA, S,S-EDDS, IDHA and natural complexing agents (gluconate and lignosulfonate. The stability and reactivity of the formulations were studied on batch experiments with calcareous soil and by speciation modeling. Formulations containing traditional ligands maintained higher Mn but lower Zn concentration in soil solution than the novel ligands. The gluconate and lignosulfonate maintained low concentrations of both Mn and Zn in soil solution. Selected formulations were applied into calcareous soil and their efficacy was evaluated in a pot experiment with soybean. The formulation containing DTPA led to the highest Zn concentration in plants, as well as the formulation containing S,S-EDDS in the short-term, which correlated with its biodegradability. The application of traditional or novel ligands in formulations did not result in sufficient plant Mn concentrations, which was related to the low Mn stability observed for all formulations under moderate oxidation conditions. The results highlight the need to consider the effect of metals and ligands interactions in multi-nutrient fertilization and the potential of S,S-EDDS to be used for Zn fertilization. Furthermore, it is necessary to explore new sources of Mn fertilization for calcareous soils that have greater stability and efficiency, or instead to use foliar fertilization.

  11. Reactivity and effectiveness of traditional and novel ligands for multi-micronutrient fertilization in a calcareous soil

    Science.gov (United States)

    López-Rayo, Sandra; Nadal, Paloma; Lucena, Juan J.

    2015-01-01

    This study compares the effectiveness of multi-micronutrient formulations containing iron (Fe), manganese (Mn), and zinc (Zn) with traditional (EDTA, DTPA, HEEDTA, and EDDHAm) or novel chelates (o,p-EDDHA, S,S-EDDS, and IDHA) and natural complexing agents (gluconate and lignosulfonate). The stability and reactivity of the formulations were studied on batch experiments with calcareous soil and by speciation modeling. Formulations containing traditional ligands maintained higher Mn but lower Zn concentration in soil solution than the novel ligands. The gluconate and lignosulfonate maintained low concentrations of both Mn and Zn in soil solution. Selected formulations were applied into calcareous soil and their efficacy was evaluated in a pot experiment with soybean. The formulation containing DTPA led to the highest Zn concentration in plants, as well as the formulation containing S,S-EDDS in the short-term, which correlated with its biodegradability. The application of traditional or novel ligands in formulations did not result in sufficient plant Mn concentrations, which was related to the low Mn stability observed for all formulations under moderate oxidation conditions. The results highlight the need to consider the effect of metals and ligands interactions in multi-nutrient fertilization and the potential of S,S-EDDS to be used for Zn fertilization. Furthermore, it is necessary to explore new sources of Mn fertilization for calcareous soils that have greater stability and efficiency, or instead to use foliar fertilization. PMID:26442065

  12. Resolution of axial shear strain elastography

    International Nuclear Information System (INIS)

    Thitaikumar, Arun; Righetti, Raffaella; Krouskop, Thomas A; Ophir, Jonathan

    2006-01-01

    The technique of mapping the local axial component of the shear strain due to quasi-static axial compression is defined as axial shear strain elastography. In this paper, the spatial resolution of axial shear strain elastography is investigated through simulations, using an elastically stiff cylindrical lesion embedded in a homogeneously softer background. Resolution was defined as the smallest size of the inclusion for which the strain value at the inclusion/background interface was greater than the average of the axial shear strain values at the interface and inside the inclusion. The resolution was measured from the axial shear strain profile oriented at 45 0 to the axis of beam propagation, due to the absence of axial shear strain along the normal directions. The effects of the ultrasound system parameters such as bandwidth, beamwidth and transducer element pitch along with signal processing parameters such as correlation window length (W) and axial shift (ΔW) on the estimated resolution were investigated. The results show that the resolution (at 45 0 orientation) is determined by the bandwidth and the beamwidth. However, the upper bound on the resolution is limited by the larger of the beamwidth and the window length, which is scaled inversely to the bandwidth. The results also show that the resolution is proportional to the pitch and not significantly affected by the axial window shift

  13. Exact and Effective Pair-Wise Potential for Protein-Ligand Interactions Obtained from a Semiempirical Energy Partition

    Directory of Open Access Journals (Sweden)

    André Melo

    2008-09-01

    Full Text Available In this work, the partition method introduced by Carvalho and Melo was used to study the complex between Cucurbita maxima trypsin inhibitor (CMTI-I and glycerol at the AM1 level. An effective potential, combining non-bonding and polarization plus charge transfer (PLCT terms, was introduced to evaluate the magnitude of the interaction between each amino acid and the ligand. In this case study, the nonbonding–PLCT noncompensation characterizes the stabilization energy of the association process in study. The main residues (Gly29, Cys3 and Arg5 with net attractive effects and Arg1 (with a net repulsive effect, responsible by the stability of protein-ligand complex, are associated with large nonbonding energies non-compensated by PLCT effects. The results obtained enable us to conclude that the present decomposition scheme can be used for understanding the cohesive phenomena in proteins.

  14. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used in the cost-effective removal of specific radionuclides from nuclear waste streams. Organic ligands with metal ion specificity are critical components in the development of solvent extraction and ion exchange processes that are highly selective for targeted radionuclides. The traditional approach to the development of such ligands involves lengthy programs of organic synthesis and testing, which in the absence of reliable methods for screening compounds before synthesis, results in wasted research effort. The author`s approach breaks down and simplifies this costly process with the aid of computer-based molecular modeling techniques. Commercial software for organic molecular modeling is being configured to examine the interactions between organic ligands and metal ions, yielding an inexpensive, commercially or readily available computational tool that can be used to predict the structures and energies of ligand-metal complexes. Users will be able to correlate the large body of existing experimental data on structure, solution binding affinity, and metal ion selectivity to develop structural design criteria. These criteria will provide a basis for selecting ligands that can be implemented in separations technologies through collaboration with other DOE national laboratories and private industry. The initial focus will be to select ether-based ligands that can be applied to the recovery and concentration of the alkali and alkaline earth metal ions including cesium, strontium, and radium.

  15. Nerve Regenerative Effects of GABA-B Ligands in a Model of Neuropathic Pain

    Directory of Open Access Journals (Sweden)

    Valerio Magnaghi

    2014-01-01

    Full Text Available Neuropathic pain arises as a direct consequence of a lesion or disease affecting the peripheral somatosensory system. It may be associated with allodynia and increased pain sensitivity. Few studies correlated neuropathic pain with nerve morphology and myelin proteins expression. Our aim was to test if neuropathic pain is related to nerve degeneration, speculating whether the modulation of peripheral GABA-B receptors may promote nerve regeneration and decrease neuropathic pain. We used the partial sciatic ligation- (PSL- induced neuropathic model. The biochemical, morphological, and behavioural outcomes of sciatic nerve were analysed following GABA-B ligands treatments. Simultaneous 7-days coadministration of baclofen (10 mg/kg and CGP56433 (3 mg/kg alters tactile hypersensitivity. Concomitantly, specific changes of peripheral nerve morphology, nerve structure, and myelin proteins (P0 and PMP22 expression were observed. Nerve macrophage recruitment decreased and step coordination was improved. The PSL-induced changes in nociception correlate with altered nerve morphology and myelin protein expression. Peripheral synergic effects, via GABA-B receptor activation, promote nerve regeneration and likely ameliorate neuropathic pain.

  16. Effects of various cannabinoid ligands on choice behaviour in a rat model of gambling.

    Science.gov (United States)

    Gueye, Aliou B; Trigo, Jose M; Vemuri, Kiran V; Makriyannis, Alexandros; Le Foll, Bernard

    2016-04-01

    It is estimated that 0.6-1% of the population in the USA and Canada fulfil the Diagnostic and Statistical Manual of Mental Disorders, 5th ed. (DSM-5) criteria for gambling disorders (GD). To date, there are no approved pharmacological treatments for GD. The rat gambling task (rGT) is a recently developed rodent analogue of the Iowa gambling task in which rats are trained to associate four response holes with different magnitudes and probabilities of food pellet rewards and punishing time-out periods. Similar to healthy human volunteers, most rats adopt the optimal strategies (optimal group). However, a subset of animals show preference for the disadvantageous options (suboptimal group), mimicking the choice pattern of patients with GD. Here, we explored for the first time the effects of various cannabinoid ligands (WIN 55,212-2, AM 4113, AM 630 and URB 597) on the rGT. Administration of the cannabinoid agonist CB1/CB2 WIN 55,212-2 improved choice strategy and increased choice latency in the suboptimal group, but only increased perseverative behaviour, when punished, in the optimal group. Blockade of CB1 or CB2 receptors or inhibition of fatty-acid amide hydrolase did not affect rGT performance. These results suggest that stimulation of cannabinoid receptors could affect gambling choice behaviours differentially in some subgroups of subjects.

  17. Effects of cypermethrin on the ligand-independent interaction between androgen receptor and steroid receptor coactivator-1

    International Nuclear Information System (INIS)

    Pan, Chen; Liu, Ya-Peng; Li, Yan-Fang; Hu, Jin-Xia; Zhang, Jin-Peng; Wang, Hong-Mei; Li, Jing; Xu, Li-Chun

    2012-01-01

    The pyrethroid insecticide, cypermethrin has been considered as an environmental anti-androgen by interfering with the androgen receptor (AR) transactivation. In order to clarify the effects of cypermethrin on the ligand-independent interaction between the AR and SRC-1, the mammalian two-hybrid assay has been developed in the study. The AR N-terminal domain 1–660 amino acid residues were subcloned into the plasmid pVP16 to construct the vector pVP16-ARNTD. The SRC-1 C-terminal domain 989–1240 amino acid residues were subcloned into the plasmid pM to construct the vector pM-SRC-1. The fusion vectors pVP16-ARNTD, pM-SRC-1 and the pG5CAT Reporter Vector were cotransfected into the CV-1 cells. The AR AF1 interacted with SRC-1 in the absence of exogenous ligand 5α-dihydrotestosterone (DHT). Furthermore, DHT did not enhance the interaction between AR AF-1 and SRC-1 at the concentrations from 10 −10 M to 10 −8 M. Cypermethrin inhibited the interaction between the AR AF1 and SRC-1, and the significant reduction was detected at the concentration of 10 −5 M. It is suggested that the interaction between the AR AF1 and SRC-1 is ligand-independent. Cypermethrin inhibits AR activity by disrupting the ligand-independent AR–SRC-1 interaction.

  18. Phonon Raman spectra of colloidal CdTe nanocrystals: effect of size, non-stoichiometry and ligand exchange

    Directory of Open Access Journals (Sweden)

    Lokteva Irina

    2011-01-01

    Full Text Available Abstract Resonant Raman study reveals the noticeable effect of the ligand exchange on the nanocrystal (NC surface onto the phonon spectra of colloidal CdTe NC of different size and composition. The oleic acid ligand exchange for pyridine ones was found to change noticeably the position and width of the longitudinal optical (LO phonon mode, as well as its intensity ratio to overtones. The broad shoulder above the LO peak frequency was enhanced and sharpened after pyridine treatment, as well as with decreasing NC size. The low-frequency mode around 100 cm-1 which is commonly related with the disorder-activated acoustical phonons appears in smaller NCs but is not enhanced after pyridine treatment. Surprisingly, the feature at low-frequency shoulder of the LO peak, commonly assigned to the surface optical phonon mode, was not sensitive to ligand exchange and concomitant close packing of the NCs. An increased structural disorder on the NC surface, strain and modified electron-phonon coupling is discussed as the possible reason of the observed changes in the phonon spectrum of ligand-exchanged CdTe NCs. PACS: 63.20.-e, 78.30.-j, 78.67.-n, 78.67.Bf

  19. Computerised Axial Tomography (CAT)

    Science.gov (United States)

    1990-06-01

    Ministry of’ Defence, Defence Research Information Centre, UK. Computerised Axial Tomography ( CAT ) Report Secufty C"uMiauion tide Onadtiicadon (U. R, Cor S...DRIC T 8485 COMPUTERISED AXIAL TOMOGRAPHY ( CAT ) F.P. GENTILE, F. SABETTA, V. TRO1* ISS R 78/4.Rome, 1.5 Mlarch 1978 (from Italian) B Distribution(f...dello Radiazioni ISSN 0390--6477 F.P. GENTILE, F. SABETTA. V. TROI Computerised Axial Tomography ( CAT ) March 15, 1978). This paper is a review of

  20. Effects of the nuclear symmetry energy on gravitational waves from the axial W-modes of isolated neutron stars

    International Nuclear Information System (INIS)

    Wen, Dehua; Li, Baoan; Krastev, P.G.

    2010-01-01

    The frequencies and damping times of the axial w-mode oscillations of neutron stars are investigated using a nuclear equation of state (EOS) partially constrained by the available terrestrial laboratory data. It is found that the nuclear symmetry energy E sym (ρ), especially its high density behavior, plays an important role in determining both the eigen-frequencies and the damping times of these oscillations. (author)

  1. Effect of an axially-symmetric cyclonic vortex on the sea surface temperature in the Gulf of Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Villanueva, E.E.; Mendoza, V.M.; Adem, J. [Universidad Nacional Autonoma de Mexico, Mexico, D.F. (Mexico)]. E-mail: eevu@atmosfera.unam.mx

    2006-04-15

    A model for the mixed layer of the Gulf of Mexico has been used to determine the effect that an idealized cyclonic vortex has in the sea surface temperature. The model consists of the equations of conservation of thermal energy and this of balance between mechanical energy and thermal energy, last based on the Kraus-Turner theory; both equations are vertically integrated in the mixed layer. As atmospheric forcing, we prescribe the surface wind associated with an axially-symmetric cyclonic vortex characterized by two parameters: the maximum tangential velocity and the radius at which that velocity is reached. The values of these two parameters, which depend on the position of the vortex, correspond to two cases: hurricane Hilda, which crossed the central part of the Gulf of Mexico between September 29 and October 3, 1964 and hurricane Gilbert whose trajectory between 11 and 17 September, 1988 crossed the Caribbean Sea, the Yucatan Peninsula and the southwest Gulf of Mexico. The results show that a cyclonic vortex with such characteristics, produce during its passage by the sea vertical turbulent water transport through the thermocline (entrainment) that is able to cool down the mixed layer in several degrees and increases the thermocline depth in several meters, in agreement with the observations. [Spanish] Se aplica un modelo de capa de mezcla para el Golfo de Mexico con el objeto de determinar el efecto de un vortice ciclonico idealizado sobre la temperatura de la superficie del mar. El modelo consiste basicamente de dos ecuaciones, la de conservacion de energia termica y la de balance entre energia mecanica y energia termica, esta ultima derivada de la teoria de Kraus-Turner; ambas ecuaciones son verticalmente integradas y acopladas en la capa de mezcla. Como forzamiento atmosferico sobre la superficie del mar se prescribe el viento asociado a un vortice ciclonico axialmente simetrico caracterizado por dos parametros: la velocidad tangencial maxima y el radio al

  2. The Effects of Magnesium Ions on the Enzymatic Synthesis of Ligand-Bearing Artificial DNA by Template-Independent Polymerase

    Directory of Open Access Journals (Sweden)

    Yusuke Takezawa

    2016-06-01

    Full Text Available A metal-mediated base pair, composed of two ligand-bearing nucleotides and a bridging metal ion, is one of the most promising components for developing DNA-based functional molecules. We have recently reported an enzymatic method to synthesize hydroxypyridone (H-type ligand-bearing artificial DNA strands. Terminal deoxynucleotidyl transferase (TdT, a template-independent DNA polymerase, was found to oligomerize H nucleotides to afford ligand-bearing DNAs, which were subsequently hybridized through copper-mediated base pairing (H–CuII–H. In this study, we investigated the effects of a metal cofactor, MgII ion, on the TdT-catalyzed polymerization of H nucleotides. At a high MgII concentration (10 mM, the reaction was halted after several H nucleotides were appended. In contrast, at lower MgII concentrations, H nucleotides were further appended to the H-tailed product to afford longer ligand-bearing DNA strands. An electrophoresis mobility shift assay revealed that the binding affinity of TdT to the H-tailed DNAs depends on the MgII concentration. In the presence of excess MgII ions, TdT did not bind to the H-tailed strands; thus, further elongation was impeded. This is possibly because the interaction with MgII ions caused folding of the H-tailed strands into unfavorable secondary structures. This finding provides an insight into the enzymatic synthesis of longer ligand-bearing DNA strands.

  3. Effects of chemokine (C–C motif) ligand 1 on microglial function

    International Nuclear Information System (INIS)

    Akimoto, Nozomi; Ifuku, Masataka; Mori, Yuki; Noda, Mami

    2013-01-01

    Highlights: •CCR8, a specific receptor for CCL-1, was expressed on primary cultured microglia. •Expression of CCR-8 in microglia was upregulated in the presence of CCL-1. •CCL-1 increased motility, proliferation and phagocytosis of cultured microglia. •CCL-1promoted BDNF and IL-6 mRNA, and the release of NO from microglia. •CCL-1 activates microglia and may contribute to the development of neuropathic pain. -- Abstract: Microglia, which constitute the resident macrophages of the central nervous system (CNS), are generally considered as the primary immune cells in the brain and spinal cord. Microglial cells respond to various factors which are produced following nerve injury of multiple aetiologies and contribute to the development of neuronal disease. Chemokine (C–C motif) ligand 1 (CCL-1), a well-characterized chemokine secreted by activated T cells, has been shown to play an important role in neuropathic pain induced by nerve injury and is also produced in various cell types in the CNS, especially in dorsal root ganglia (DRG). However, the role of CCL-1 in the CNS and the effects on microglia remains unclear. Here we showed the multiple effects of CCL-1 on microglia. We first showed that CCR-8, a specific receptor for CCL-1, was expressed on primary cultured microglia, as well as on astrocytes and neurons, and was upregulated in the presence of CCL-1. CCL-1 at concentration of 1 ng/ml induced chemotaxis, increased motility at a higher concentration (100 ng/ml), and increased proliferation and phagocytosis of cultured microglia. CCL-1 also activated microglia morphologically, promoted mRNA levels for brain-derived neurotrophic factor (BDNF) and IL-6, and increased the release of nitrite from microglia. These indicate that CCL-1 has a role as a mediator in neuron-glia interaction, which may contribute to the development of neurological diseases, especially in neuropathic pain

  4. Examination of the effects of cannabinoid ligands on decision making in a rat gambling task.

    Science.gov (United States)

    Ferland, Jacqueline-Marie N; Carr, Madison R; Lee, Angela M; Hoogeland, Myrthe E; Winstanley, Catharine A; Pattij, Tommy

    2018-07-01

    Although exposure to delta-9-tetrahydrocannabinol (THC) is perceived to be relatively harmless, mounting evidence has begun to show that it is associated with a variety of cognitive deficits, including poor decision making. THC-induced impairments in decision making are thought to be the result of cannabinoid CB1 receptor activation, and although clinical literature suggests that chronic activation via THC contributes to perturbations in decision making, acute CB1 receptor modulation has yielded mixed results. Using an animal model to examine how CB1-specific ligands impact choice biases would provide significant insight as to how recruitment of the endocannabinoid system may influence decision making. Here, we used the rat gambling task (rGT), a validated analogue of the human Iowa Gambling Task, to assess baseline decision making preferences in male Wistar rats. After acquisition rGT performance was measured. Animals were challenged with the CB1 receptor antagonist rimonabant, the partial agonist THC, and the synthetic agonist WIN55,212-2. Animals were also treated acutely with the fatty acid amide hydrolase (FAAH) inhibitor URB597 to selectively upregulate the endocannabinoid anandamide. Blockade of the CB1 receptor produced a trend improvement in decision making in animals who preferred the advantageous task options, yet left choice unaffected in risk-prone rats. Neither CB1 receptor agonist had strong effects on decision making, but a high dose THC decreased premature responses, whereas WIN55,212-2 did the opposite. URB597 did not affect task performance. These results indicate that although chronic CB1 receptor activation may be associated with impaired decision making, acute modulation has modest effects on choice and instead may play a substantive role in regulating impulsive responding. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

  5. Effects of chemokine (C–C motif) ligand 1 on microglial function

    Energy Technology Data Exchange (ETDEWEB)

    Akimoto, Nozomi [Laboratory of Pathophysiology, Graduate School of Pharmaceutical Sciences, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan); Ifuku, Masataka [Laboratory of Integrative Physiology, Graduate School of Medicine, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan); Mori, Yuki [Laboratory of Pathophysiology, Graduate School of Pharmaceutical Sciences, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan); Noda, Mami, E-mail: noda@phar.kyushu-u.ac.jp [Laboratory of Pathophysiology, Graduate School of Pharmaceutical Sciences, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan)

    2013-07-05

    Highlights: •CCR8, a specific receptor for CCL-1, was expressed on primary cultured microglia. •Expression of CCR-8 in microglia was upregulated in the presence of CCL-1. •CCL-1 increased motility, proliferation and phagocytosis of cultured microglia. •CCL-1promoted BDNF and IL-6 mRNA, and the release of NO from microglia. •CCL-1 activates microglia and may contribute to the development of neuropathic pain. -- Abstract: Microglia, which constitute the resident macrophages of the central nervous system (CNS), are generally considered as the primary immune cells in the brain and spinal cord. Microglial cells respond to various factors which are produced following nerve injury of multiple aetiologies and contribute to the development of neuronal disease. Chemokine (C–C motif) ligand 1 (CCL-1), a well-characterized chemokine secreted by activated T cells, has been shown to play an important role in neuropathic pain induced by nerve injury and is also produced in various cell types in the CNS, especially in dorsal root ganglia (DRG). However, the role of CCL-1 in the CNS and the effects on microglia remains unclear. Here we showed the multiple effects of CCL-1 on microglia. We first showed that CCR-8, a specific receptor for CCL-1, was expressed on primary cultured microglia, as well as on astrocytes and neurons, and was upregulated in the presence of CCL-1. CCL-1 at concentration of 1 ng/ml induced chemotaxis, increased motility at a higher concentration (100 ng/ml), and increased proliferation and phagocytosis of cultured microglia. CCL-1 also activated microglia morphologically, promoted mRNA levels for brain-derived neurotrophic factor (BDNF) and IL-6, and increased the release of nitrite from microglia. These indicate that CCL-1 has a role as a mediator in neuron-glia interaction, which may contribute to the development of neurological diseases, especially in neuropathic pain.

  6. Steric and electronic effects of 1,3-disubstituted cyclopentadienyl ligands on metallocene derivatives of Cerium, Titanium, Manganese, and Iron

    Energy Technology Data Exchange (ETDEWEB)

    Sofield, Chadwick Dean [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    Sterically demanding 1,3-disubstituted cyclopentadienyl ligands were used to modify the physical properties of the corresponding metallocenes. Sterically demanding ligands provided kinetic stabilization for trivalent cerium compounds. Tris(di-t-butylcyclopentadienyl)cerium was prepared and anion competition between halides and cyclopentadienyl groups which had complicated synthesis of the tris(cyclopentadienyl)compound was qualitatively examined. Bis(di-t-butylcyclopentadienyl)cerium methyl was prepared and its rate of decomposition, by ligand redistribution, to tris(di-t-butylcyclopentadienyl)cerium was shown to be slower than the corresponding rate for less sterically demanding ligands. Asymmetrically substituted ligands provided a symmetry label for examination of chemical exchange processes. Tris[trimethylsilyl(t-butyl)cyclopentadienyl]cerium was prepared and the rate of interconversion between the C1 and C3 isomers was examined. The enthalpy difference between the two distereomers is 7.0 kJ/mol. The sterically demanding cyclopentadienyl ligands ansa-di-t-butylcyclopentadiene (Me2Si[(Me3C)2C5H3]2), ansa-bis(trimethylsilyl)cyclopentadiene (Me2Si[(Me3Si)2C5H3]2) and tetra-t-butylfulvalene and metallocene derivatives of the ligands were prepared and their structures were examined by single crystal X-ray crystallography. The effect that substituents on the cyclopentadienyl ring have on the pi-electron system of the ligand was examined through interaction between ligand and metal orbitals. A series of 1,3-disubstituted manganocenes was prepared and their electronic states were determined by solid-state magnetic susceptibility, electron paramagnetic resonance, X-ray crystallography, and variable temperature UV-vis spectroscopy. Spin-equilibria in [(Me3C)2C5H3]2Mn and [(Me3

  7. Signatures for axial chromodynamics

    International Nuclear Information System (INIS)

    Pati, J.C.

    1978-07-01

    Within the context of basic left-right symmetry and the hypothesis of unification of weak, electromagnetic and strong forces at a mass level approximately equal to 10 4 -10 6 GeV, relatively light ''mass'' axial gluons, confined or liberated, must be postulated. The authors remark that the existence of such ''light'' axial gluons supplementing the familiar vector octet preserves the successes of QCD, both for deep inelastic processes and charmonium physics. Through the characteristic spin-spin force, generated by their exchange, they may even help resolve some of the discrepancies between vector QCD predictions and charmonium physics. The main remark of this note is that if colour is liberated, not only vector but also axial-vector gluons are produced in high-energy e - e + experiments, e.g. at PETRA and PEP, with fairly large cross-section. Distinctive decay modes of such liberated axial gluons are noted

  8. Synthesis of freestanding water-soluble indium oxide nanocrystals capped by alanine nitric acid via ligand exchange for thin film transistors and effects of ligands on the electrical properties

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jin-Kyu; Koh, Ye-Seul; Jeong, Hyun-Dam, E-mail: hdjeong@chonnam.ac.kr

    2015-07-15

    We demonstrate synthesis of freestanding water-soluble indium oxide nanocrystals (In{sub 2}O{sub 3} NCs) by ligand exchange to β-alanine nitric acid (Ala·HNO{sub 3}) and its application for active channel layer in thin film transistors (TFTs), with investigation of the effect of curing temperatures on the TFT properties in terms of thermal behaviour of the ligand molecules at 150, 300, and 350 °C. After ligand exchange from long alkyl ligand (myristic acid, MA) to short Ala·HNO{sub 3}, the mobility of NC TFTs cured at 150 °C increased by over 1 order of magnitude, from 1.3 × 10{sup −4} cm{sup 2}V{sup -1}s{sup −1} to 4.5 × 10{sup −3} cm{sup 2}V{sup -1}s{sup −1}, due to enhanced tunnelling rate (Γ) between adjective NCs. Higher curing temperatures such as 300 and 350 °C, inducing thermal decomposition of the organic ligands, led to further enhancement of the mobility, particularly up to 2.2 cm{sup 2}V{sup -1}s{sup −1} for the In{sub 2}O{sub 3} NC-Ala·HNO{sub 3} TFT cured at 350 °C. It is also found that the ligand exchange of In{sub 2}O{sub 3} NC in acidic condition (e.g. HNO{sub 3}) would be simple and effective to reduce the surface defects by surface etching, which may lead to better device performances. - Graphical abstract: Display Omitted - Highlights: • Freestanding water-soluble In{sub 2}O{sub 3} nanocrystals (NCs) were synthesized by ligand exchange. • Thin film transistors (TFTs) of colloidal NCs were fabricated by spin-coating method. • Water-soluble In{sub 2}O{sub 3} NC TFTs showed higher mobilities due to shorter ligand length. • Surface defects of NCs were notably reduced by surface etching during ligand exchange.

  9. Conical angles of ligands - compounds of elements of the 6(16) and 7(17) groups. Levelling effect

    International Nuclear Information System (INIS)

    Imyanitov, N.S.

    1991-01-01

    In the framework of development of a unified system of electron and steric effects of ligand conical angles of 176 compounds R 2 X and RHal, where X=O, S, Se, Te; Hal=F, Cl, Br, I; R=H, Hal (only in the case of R 2 X), Alk or Ar, were calculated. A levelling effect of large X and Hal was pointed out: in the beginning of steric series the conical angles are determined by dimensions of X and Hal and not by R ones. Similar levelled values of conical angles for previously considered ligands on the basis of N, P, As, Sb, Bi, C, Si, Ge, Sn were also calculated

  10. Dissipative Axial Inflation

    CERN Document Server

    Notari, Alessio

    2016-12-22

    We analyze in detail the background cosmological evolution of a scalar field coupled to a massless abelian gauge field through an axial term $\\frac{\\phi}{f_\\gamma} F \\tilde{F}$, such as in the case of an axion. Gauge fields in this case are known to experience tachyonic growth and therefore can backreact on the background as an effective dissipation into radiation energy density $\\rho_R$, which which can lead to inflation without the need of a flat potential. We analyze the system, for momenta $k$ smaller than the cutoff $f_\\gamma$, including numerically the backreaction. We consider the evolution from a given static initial condition and explicitly show that, if $f_\\gamma$ is smaller than the field excursion $\\phi_0$ by about a factor of at least ${\\cal O} (20)$, there is a friction effect which turns on before that the field can fall down and which can then lead to a very long stage of inflation with a generic potential. In addition we find superimposed oscillations, which would get imprinted on any kind of...

  11. Assessing the effect of dissolved organic ligands on mineral dissolution rates: An example from calcite dissolution

    International Nuclear Information System (INIS)

    DeMaio, T.; Grandstaff, D.E.

    1997-01-01

    Experiments suggest that dissolved organic ligands may primarily modify mineral dissolution rates by three mechanisms: (1) metal-ligand (M-L) complex formation in solution, which increases the degree of undersaturation, (2) formation of surface M-L complexes that attack the surface, and (3) formation of surface complexes which passivate or protect the surface. Mechanisms (1) and (2) increase the dissolution rate and the third decreases it compared with organic-free solutions. The types and importance of these mechanisms may be assessed from plots of dissolution rate versus degree of undersaturation. To illustrate this technique, calcite, a common repository cementing and vein-filling mineral, was dissolved at pH 7.8 and 22 C in Na-Ca-HCO 3 -Cl solutions with low concentrations of three organic ligands. Low citrate concentrations (50 microM) increased the dissolution rate consistent with mechanism (1). Oxalate decreased the rate, consistent with mechanism (3). Low phthalate concentration (<50 microM) decreased calcite dissolution rates; however, higher concentrations increased the dissolution rates, which became faster than in inorganic solutions. Thus, phthalate exhibits both mechanisms (2) and (3) at different concentrations. In such cases linear extrapolations of dissolution rates from high organic ligand concentrations may not be valid

  12. Effect of Hemodialysis on Eye Coats, Axial Length, and Ocular Perfusion Pressure in Patients with Chronic Renal Failure

    Directory of Open Access Journals (Sweden)

    Ling Wang

    2018-01-01

    Full Text Available Purpose. To investigate changes in eye coats, axial length, and ocular perfusion pressure (OPP in hemodialysis (HD patients with chronic renal failure (CRF. Methods. We included HD patients who were diagnosed with CRF in our hospital from January to December 2015. Fifty-two patients met the inclusion criteria; all right eyes were used for observation. Systolic and diastolic blood pressures were recorded to calculate OPP. Approximately 30 minutes before and after HD, we recorded multiple parameters, including lens thickness (LT, axial length of vitreous (VAL, axial length of eye (EAL, ciliary body thickness (CBT, choroidal thickness (CT, and retinal thickness (RT. Results. After HD, OPP significantly decreased (P<0.01, F=7.023 and CBT became significantly thinner (P<0.01, t=3.461. CT was significantly thinner and differed among measurement locations (P<0.01, t=6.240; P<0.01, t=6.169; P<0.01, t=3.405, respectively, fovea, nasal, and temporal side 1500 μm beside the fovea. Further, RT thickened and differed among measurement locations (P<0.05, t=−2.265; P<0.05, t=−2.624; P<0.05, t=−2.220, respectively, fovea, nasal, and temporal side 1500 μm beside fovea, whereas LT, VAL, and EAL significantly increased after HD (P<0.05, t=−2.076; P<0.01, t=−3.817; P<0.01, t=−4.010. Conclusions. HD impacts the thickness of the eye coats and VAL, particularly affecting CBT, CT, and RT. OPP transiently decreases during HD, which may contribute to an ischemic state.

  13. The effect of impact duration on the axial fracture tolerance of the isolated tibia during automotive and military impacts.

    Science.gov (United States)

    Martinez, Alberto A; Chakravarty, Avery B; Quenneville, Cheryl E

    2018-02-01

    Axial impacts to the lower leg during debilitating events such as frontal automotive collisions and military underbody blasts can cause significant injuries to the tibia. Several studies have conducted axial impact tests to determine the injury limits of the lower leg, mostly focused on automotive intrusions, resulting in an established force criterion for injury assessments. Due to the viscoelastic properties of bone, it remains unclear whether results from automotive experiments can be applied to higher-rate military blasts. Twelve male isolated cadaveric tibias (from six pairs, mean age: 62 ± 8 years) were subjected to axial impact loads using a custom-built pneumatic impactor, with one specimen from each pair tested at velocity and impact durations representative of a military blast condition, and the contralateral under conditions representing an automotive collision. Impacts were applied in increasing levels of intensity (defined using energy levels) until fracture occurred. Fracture risk was influenced by projectile velocity, kinetic energy, impulse, and load rate, and there was a significant difference in peak force (p = 0.023), impulse (p = 0.09), and load rate (p = 0.025) between the automotive and military test conditions causing fracture. A 10% risk of fracture corresponded to an impact force of 9.0kN for the automotive condition and 12.2kN for the military condition. These results suggest that fracture tolerances developed in studies that simulate automotive impacts cannot be directly applied to military impacts of shorter duration. The number of factors identified to predict injury also suggests that fracture is not controlled by a single variable. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Review of Axial Burnup Distribution Considerations for Burnup Credit Calculations

    International Nuclear Information System (INIS)

    Wagner, J.C.; DeHart, M.D.

    2000-01-01

    This report attempts to summarize and consolidate the existing knowledge on axial burnup distribution issues that are important to burnup credit criticality safety calculations. Recently released Nuclear Regulatory Commission (NRC) staff guidance permits limited burnup credit, and thus, has prompted resolution of the axial burnup distribution issue. The reactivity difference between the neutron multiplication factor (keff) calculated with explicit representation of the axial burnup distribution and keff calculated assuming a uniform axial burnup is referred to as the ''end effect.'' This end effect is shown to be dependent on many factors, including the axial-burnup profile, total accumulated burnup, cooling time, initial enrichment, assembly design, and the isotopics considered (i.e., actinide-only or actinides plus fission products). Axial modeling studies, efforts related to the development of axial-profile databases, and the determination of bounding axial profiles are also discussed. Finally, areas that could benefit from further efforts are identified

  15. Colloidal Quantum Dot Inks for Single-Step-Fabricated Field-Effect Transistors: The Importance of Postdeposition Ligand Removal.

    Science.gov (United States)

    Balazs, Daniel M; Rizkia, Nisrina; Fang, Hong-Hua; Dirin, Dmitry N; Momand, Jamo; Kooi, Bart J; Kovalenko, Maksym V; Loi, Maria Antonietta

    2018-02-14

    Colloidal quantum dots are a class of solution-processed semiconductors with good prospects for photovoltaic and optoelectronic applications. Removal of the surfactant, so-called ligand exchange, is a crucial step in making the solid films conductive, but performing it in solid state introduces surface defects and cracks in the films. Hence, the formation of thick, device-grade films have only been possible through layer-by-layer processing, limiting the technological interest for quantum dot solids. Solution-phase ligand exchange before the deposition allows for the direct deposition of thick, homogeneous films suitable for device applications. In this work, fabrication of field-effect transistors in a single step is reported using blade-coating, an upscalable, industrially relevant technique. Most importantly, a postdeposition washing step results in device properties comparable to the best layer-by-layer processed devices, opening the way for large-scale fabrication and further interest from the research community.

  16. Effects of Ligands on a Ternary Hydroxo Complex Formation with Eu(III) in a Aqueous Solution: Comparison of a Pyridine-2,6-dicarboxylate with a Phthalate

    International Nuclear Information System (INIS)

    Park, K. K.; Cho, H. R.; Kim, W. H.; Jung, E. C.

    2008-01-01

    The interaction of a radionuclide with ligands in a groundwater influences its migration through a hydrogeological system due to a change in the characteristics of a dissolution and a sorption. Actinide ions are classified as a hard acid and strongly interact with ligands having an oxygen donor atom of a hard base such as a hydroxide, carbonate and carboxylate. These ligands reveal a large ionic bonding character. A number of experimental results on a binary complex formation of actinides have been reported. However, actinides may easily form a ternary complex by interacting simultaneously with two different ligands, since an ionic bonding does not restrict the spatial orientation of a ligand. In previous studies, a ternary hydroxo complex formation was investigated by using pyridine-2,6-dicarboxylate (PDA) or phthalate as an organic ligand and Eu(III) as an analogue of an actinide(III) ion. Although these organic ligands equally contain two carboxylate groups that interact with an Eu(III) ion, their stabilities reveal big differences. PDA is a tridentate ligand forming two 5-membered chelates, while phthalate is a bidentate ligand forming a 7-membered chelate. The latter reveals a lower stability than the former due to an angle strain. This is one of the reasons for the lower stability of the Eu(III)-phthalate than that of the Eu(III)- PDA. The difference in the stabilities of binary complexes, EuL + (L=organic ligand), influences the stabilities of the ternary hydroxo complexes, Eu(OH)L. The coordination of a phenylic or pyridine ligand can greatly enhance the fluorescence of an Eu(III) ion due to the high absorbance of a ligand by a π → π * transition and the transfer of this energy to an Eu(III) ion. These fluorescence characteristics in a binary complex system could be changed in a ternary complex. In this study, the effect of a ligand on the stability of a ternary hydroxo complex is reported by comparing the stabilities of Eu-PDA with Eu-phthalate systems

  17. Effect of broken axial symmetry on the electric dipole strength and the collective enhancement of level densities in heavy nuclei

    Science.gov (United States)

    Grosse, E.; Junghans, A. R.; Wilson, J. N.

    2017-11-01

    The basic parameters for calculations of radiative neutron capture, photon strength functions and nuclear level densities near the neutron separation energy are determined based on experimental data without an ad hoc assumption about axial symmetry—at variance to previous analysis. Surprisingly few global fit parameters are needed in addition to information on nuclear deformation, taken from Hartree Fock Bogolyubov calculations with the Gogny force, and the generator coordinator method assures properly defined angular momentum. For a large number of nuclei the GDR shapes and the photon strength are described by the sum of three Lorentzians, extrapolated to low energies and normalised in accordance to the dipole sum rule. Level densities are influenced strongly by the significant collective enhancement based on the breaking of shape symmetry. The replacement of axial symmetry by the less stringent requirement of invariance against rotation by 180° leads to a novel prediction for radiative neutron capture. It compares well to recent compilations of average radiative widths and Maxwellian average cross sections for neutron capture by even target nuclei. An extension to higher spin promises a reliable prediction for various compound nuclear reactions also outside the valley of stability. Such predictions are of high importance for future nuclear energy systems and waste transmutation as well as for the understanding of the cosmic synthesis of heavy elements.

  18. The effect of heterocyclic S,S’-ligands on the electrochemical properties of some cobalt(III complexes in acid

    Directory of Open Access Journals (Sweden)

    V. M. JOVANOVIC

    2005-02-01

    Full Text Available Eight mixed-ligand cobalt(III complexes with the macrocyclic amine 1,4,8,11-tetraazacyclotetradecane (cyclam and a heterocyclic dithiocarbamate (Rdtc- i.e., morpholine- (Morphdtc, thiomorpholine- (Timdtc, piperazine- (Pzdtc, N-methylpiperazine-(Mepzdtc, piperidine- (Pipdtc, 2-, 3- or 4-methylpiperidine- (2-, 3- and 4-Mepipdtc carbodithionato-S,S ions, of the general formula [Co(cyclamRdtc](ClO42, were investigated in deoxygenated 0.1MHClO4 solutions. Cyclic voltammetry data at a glassy carbon (GC electrode demonstrate a redox reaction of cobalt(III from the complexes at potentials strongly influenced by the presence of different heterocyclic Rdtc- ligands. In this respect, the complexes were separated into two groups: the first, with a heteroatom O, S or N in the heterocyclic ring, and the second, with a methyl group on the piperidine ring of the Rdtc- ligand. Anodic polarization of an Fe electrode in the presence of the complexes shows their influence not only on the dissolution of iron but also on the hydrogen evolution reactions and on this basis complexes the complexes could be divided into the same two groups. It was found that the weaker the inhibiting effect of the free heterocyclic amines is, the significantly higher is the efficiency of the corresponding complexes.

  19. Effects of a piperidine ligand on DNA modification by antitumor cisplatin analogues

    Czech Academy of Sciences Publication Activity Database

    Kašpárková, Jana; Nováková, Olga; Najajreh, Y.; Gibson, D.; Perez, J.M.; Brabec, Viktor

    2003-01-01

    Roč. 16, č. 11 (2003), s. 1424-1432 ISSN 0893-228X R&D Projects: GA ČR GA305/02/1552; GA AV ČR KJB5004301; GA AV ČR IBS5004009 Institutional research plan: CEZ:AV0Z5004920 Keywords : DNA * piperidine ligand * antitumor cisplatin analogues Subject RIV: BO - Biophysics Impact factor: 3.332, year: 2003

  20. Strong ligand field effects of blue phosphorescent mono-cyclometalated iridium(III) complexes

    International Nuclear Information System (INIS)

    Ham, Ho Wan; Jung, Kyung Yoon; Kim, Young Sik

    2010-01-01

    A series of mono-cyclometalated blue phosphorescent iridium(III) complexes with two phosphines trans to each other and two cis-ancillary ligands, such as Ir(F 2 Meppy)(PPhMe 2 ) 2 (H)(Cl), [Ir(F 2 Meppy)(PPhMe 2 ) 2 (H)(NCMe)] + and Ir(F 2 Meppy)(PPhMe 2 ) 2 -(H)(CN), [F 2 Meppy = 2-(2',4'-difluorophenyl)-4-methyl-pyridine] were synthesized and studied to tune the phosphorescence wavelength to the deep blue region and to enhance the luminescence efficiencies. We investigate the electron-withdrawing capabilities of ancillary ligands using the DFT and TD-DFT calculations on the ground and excited states of the three complexes to gain insight into the factors responsible for the emission color change and the different luminescence efficiency. Reducing the molecular weight of phosphine ligand with PPhMe 2 leads to a strategy of the efficient deep blue organic light-emitting devices (OLED) by thermal processing instead of the solution processing. The electron-withdrawing difluoro group substituted on the phenyl ring and the cyano strong field ancillary ligand in the trans position to the carbon atom of phenyl ring increased HOMO-LUMO gap and achieved the hypsochromic shift in emission color. As a result, the maximum emission spectra of Ir(F 2 Meppy)(PPhMe 2 ) 2 (H)(Cl), [Ir(F 2 Meppy)(PPhMe 2 ) 2 (H)-(NCMe)] + and Ir(F 2 Meppy)(PPh-Me 2 ) 2 (H)(CN) were in the ranges of 446, 440, 439 nm, respectively.

  1. Strong ligand field effects of blue phosphorescent mono-cyclometalated iridium(III) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Ham, Ho Wan [Department of Information Display, Hongik University, Seoul, 121-791 (Korea, Republic of); Jung, Kyung Yoon [International Design School for Advanced Studies, Hongik University, Seoul 121-791 (Korea, Republic of); Kim, Young Sik, E-mail: youngkim@hongik.ac.k [Department of Information Display, Hongik University, Seoul, 121-791 (Korea, Republic of)

    2010-09-01

    A series of mono-cyclometalated blue phosphorescent iridium(III) complexes with two phosphines trans to each other and two cis-ancillary ligands, such as Ir(F{sub 2}Meppy)(PPhMe{sub 2}){sub 2}(H)(Cl), [Ir(F{sub 2}Meppy)(PPhMe{sub 2}){sub 2}(H)(NCMe)]{sup +} and Ir(F{sub 2}Meppy)(PPhMe{sub 2}){sub 2}-(H)(CN), [F{sub 2}Meppy = 2-(2',4'-difluorophenyl)-4-methyl-pyridine] were synthesized and studied to tune the phosphorescence wavelength to the deep blue region and to enhance the luminescence efficiencies. We investigate the electron-withdrawing capabilities of ancillary ligands using the DFT and TD-DFT calculations on the ground and excited states of the three complexes to gain insight into the factors responsible for the emission color change and the different luminescence efficiency. Reducing the molecular weight of phosphine ligand with PPhMe{sub 2} leads to a strategy of the efficient deep blue organic light-emitting devices (OLED) by thermal processing instead of the solution processing. The electron-withdrawing difluoro group substituted on the phenyl ring and the cyano strong field ancillary ligand in the trans position to the carbon atom of phenyl ring increased HOMO-LUMO gap and achieved the hypsochromic shift in emission color. As a result, the maximum emission spectra of Ir(F{sub 2}Meppy)(PPhMe{sub 2}){sub 2}(H)(Cl), [Ir(F{sub 2}Meppy)(PPhMe{sub 2}){sub 2}(H)-(NCMe)]{sup +} and Ir(F{sub 2}Meppy)(PPh-Me{sub 2}){sub 2} (H)(CN) were in the ranges of 446, 440, 439 nm, respectively.

  2. Development of submersible axial pump for wastewater

    Energy Technology Data Exchange (ETDEWEB)

    Yun, Jeong Eui [Kangwon Nat' l Univ., Chuncheon (Korea, Republic of)

    2013-02-15

    This study was performed to develop a high efficiency submersible axial pump for concentration wastewater treatment. To do this, we simulated the effect of some parameters such as the axial twist angle of a blade({beta}), the radial twist angle of a blade({alpha}) and the length of a blade ({iota}) on pump efficiency using commercial code, ANSYS CFX and BladeGen. The results showed that the axial twist angle of a blade({beta}) was the most sensible parameter on the pump efficiency. And the pump efficiency had a maximum at {beta}=20.deg, {alpha}=110.deg and {iota}=240mm.

  3. Lanthanide contraction effect on crystal structures of lanthanide coordination polymers with cyclohexanocucurbit[6]uril ligand

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Li-Mei [College of Chemistry and Chemical Engineering, Henan University of Technology, Zhengzhou 450001 (China); Liu, Jing-Xin, E-mail: jxliu411@ahut.edu.cn [College of Chemistry and Chemical Engineering, Anhui University of Technology, Maanshan 243002 (China)

    2017-01-15

    A series of compounds based on the macrocyclic ligand cyclohexanocucurbit[6]uril (Cy6Q[6]) with formulas (Ln(H{sub 2}O){sub 6}Cy6Q[6])·2(CdCl{sub 4})·H{sub 3}O·xH{sub 2}O [isomorphous with Ln=La (1), Ce (2), Pr (3) and Nd (4), x=11 (1), 11 (2), 10 (3) and 11 (4)], (Sm(H{sub 2}O){sub 5}Cy6Q[6])·2(CdCl{sub 4})·H{sub 3}O·10H{sub 2}O (5) and (Ln(H{sub 2}O){sub 5}(NO{sub 3})@Cy6Q[6])·2(CdCl{sub 4})·2H{sub 3}O·xH{sub 2}O [isomorphous with Ln=Gd (6), Tb (7) and Dy (8), x=8 (6), 6 (7) and 6 (8)], have been successfully synthesized by the self-assembly of Cy6Q[6] with the corresponding lanthanide nitrate under hydrochloric acid aqueous solution in the presence of CdCl{sub 2}. Single-crystal X-ray diffraction analyses revealed that compounds 1–8 all crystallize in monoclinic space group P2{sub 1}/c, and display 1D coordination polymer structures. The lanthanide contraction effect on the structures of 1–8 has also been investigated and discussed in detail. In contrast, the reaction of Cy6Q[6] with the Ho(NO){sub 3}, Tm(NO){sub 3}, Yb(NO){sub 3} under the same conditions resulted in the compounds 9–11 with formulas Cy6Q[6]·2(CdCl{sub 4})·2H{sub 3}O·xH{sub 2}O [isomorphous with x=10 (9), 10 (10), and 9 (11)], in which no lanthanide cations are observed. The structural difference of these compounds indicates that the Cy6Q[6] may be used in the separation of lanthanide cations. - Graphical abstract: The reaction of cyclohexanocucurbit[6]uril with lanthanide ions (La{sup 3+}, Ce{sup 3+}, Pr{sup 3+}, Nd{sup 3+}, Sm{sup 3+}, Gd{sup 3+}, Tb{sup 3+}, Dy{sup 3+}, Ho{sup 3+}, Tm{sup 3+} and Yb{sup 3+}) under hydrochloric acid in the presence of CdCl{sub 2} resulted in eleven compounds, which demonstrate interesting lanthanide contraction effect and provide a means of separating lanthanide ions. - Highlights: • Eleven compounds of the Ln{sup 3+} with the Cy6Q[6] were synthesized and described. • Compounds 1-8 demonstrate interesting lanthanide contraction effect.

  4. Comparative study for axial and radial shuffling scheme effect on the performance of Pb-Bi cooled fast reactors with natural uranium as fuel cycle input

    International Nuclear Information System (INIS)

    Zaki Suud; Indah Rosidah; Maryam Afifah; Ferhat Aziz; Sekimoto, H.

    2013-01-01

    Full text:Comparative study for the Design of Pb-Bi cooled fast reactors with natural uranium as fuel cycle input using special radial shuffling strategy and axial direction modified CANDLE burn-up scheme has been performed. The reactors utilizes UN-PuN as fuel, Eutectic Pb-Bi as coolant, and can be operated without refueling for 10 years in each batch. Reactor design optimization is performed to utilize natural uranium as fuel cycle input. This reactor subdivided into 6-10 regions with equal volume in radial directions. The natural uranium is initially put in region 1, and after one cycle of 10 years of burn-up it is shifted to region 2 and the region 1 is filled by fresh natural uranium fuel. This concept is basically applied to all regions. The calculation has been done by using SRAC-Citation system code and JENDL-3.2 library. The effective multiplication factor change increases monotonously during 10 years reactor operation time. There is significant power distribution change in the central part of the core during the BOC and the EOC in the radial shuffling system. It is larger than that in the case of modified CANDLE case which use axial direction burning region move. The burn-up level of fuel is slowly grows during the first 15 years but then grow faster in the rest of burn-up history. This pattern is a little bit different from the case of modified CANDLE burn-up scheme in Axial direction in which the slow growing burn-up period is relatively longer almost half of the burn-up history. (author)

  5. Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase.

    Science.gov (United States)

    Onuk, Emre; Badger, John; Wang, Yu Jing; Bardhan, Jaydeep; Chishti, Yasmin; Akcakaya, Murat; Brooks, Dana H; Erdogmus, Deniz; Minh, David D L; Makowski, Lee

    2017-08-29

    Crystal structures of adenylate kinase (AdK) from Escherichia coli capture two states: an "open" conformation (apo) obtained in the absence of ligands and a "closed" conformation in which ligands are bound. Other AdK crystal structures suggest intermediate conformations that may lie on the transition pathway between these two states. To characterize the transition from open to closed states in solution, X-ray solution scattering data were collected from AdK in the apo form and with progressively increasing concentrations of five different ligands. Scattering data from apo AdK are consistent with scattering predicted from the crystal structure of AdK in the open conformation. In contrast, data from AdK samples saturated with Ap5A do not agree with that calculated from AdK in the closed conformation. Using cluster analysis of available structures, we selected representative structures in five conformational states: open, partially open, intermediate, partially closed, and closed. We used these structures to estimate the relative abundances of these states for each experimental condition. X-ray solution scattering data obtained from AdK with AMP are dominated by scattering from AdK in the open conformation. For AdK in the presence of high concentrations of ATP and ADP, the conformational ensemble shifts to a mixture of partially open and closed states. Even when AdK is saturated with Ap5A, a significant proportion of AdK remains in a partially open conformation. These results are consistent with an induced-fit model in which the transition of AdK from an open state to a closed state is initiated by ATP binding.

  6. Moessbauer effect study of iron(III)-inidazolidine nitroxyl-free radical ligand complex

    Energy Technology Data Exchange (ETDEWEB)

    Mulaba, A. [Technikon Witwatersrand, Metallurgy Department (South Africa); Kiremire, E. [University of the Witwatersrand, Chemistry Department (South Africa); Pollak, H. [University of the Witwatersrand, Physics Department (South Africa); Boeyens, J. [University of the Witwatersrand, Chemistry Department (South Africa)

    1999-09-15

    A new complex, [Fe(acac)L{sub 2}], bearing inidazolidine nitroxyl-free radical ligand (L{sup -}) was recently synthesised for biological studies. It proved to be biologically active against African sleeping sickness, plasmodium falciparum (malaria), leishmaniasis and chaga disease causative agents. Three ESR well resolved peaks indicated the presence of a free (unpaired) and chemically active electron in the complex. The structural complex ferric iron was found at the centre of two electric gradient whose the biggest is suggested to be initiated by the unpaired charge. No distinction between different cis isomers could be made.

  7. Moessbauer effect study of iron(III)-inidazolidine nitroxyl-free radical ligand complex

    International Nuclear Information System (INIS)

    Mulaba, A.; Kiremire, E.; Pollak, H.; Boeyens, J.

    1999-01-01

    A new complex, [Fe(acac)L 2 ], bearing inidazolidine nitroxyl-free radical ligand (L - ) was recently synthesised for biological studies. It proved to be biologically active against African sleeping sickness, plasmodium falciparum (malaria), leishmaniasis and chaga disease causative agents. Three ESR well resolved peaks indicated the presence of a free (unpaired) and chemically active electron in the complex. The structural complex ferric iron was found at the centre of two electric gradient whose the biggest is suggested to be initiated by the unpaired charge. No distinction between different cis isomers could be made

  8. Pd-bound functionalized mesoporous silica as active catalyst for Suzuki coupling reaction: Effect of OAcˉ, PPh3 and Clˉ ligands on catalytic activity

    Science.gov (United States)

    Das, Trisha; Uyama, Hiroshi; Nandi, Mahasweta

    2018-04-01

    Three new palladium catalysts, PdCat-I, PdCat-II and PdCat-III, immobilized over heterogeneous silica support have been synthesized using different ligands attached to the palladium precursor. The ligands that have been used in this study are acetate, triphenylphosphine and chloride in PdCat-I, PdCat-II and PdCat-III, respectively. The ligands have different effect on stability of the compounds and impart different oxidation states to the metal center. The materials have been characterized by powder X-ray diffraction, nitrogen adsorption-desorption studies, transmission electron microscopy, thermal analysis, and different spectroscopic techniques. The Pd-content of the samples have been determined by ICP-AES analysis. The materials have been used as catalysts for Suzuki coupling reaction of aryl halides with phenylboronic acid under mild conditions. A comparative study has been carried out to ascertain the effect of the nature of different ligands on the outcome of the catalytic reactions. Products have been identified and estimated by 1H NMR and gas chromatography. The results show that the best yields are obtained with the catalyst containing triphenylphosphine as the ligand in methanol. Such type of work to study the effect of ligand on Suzuki coupling reaction over functionalized mesoporous silica heterogeneous catalysts have not been carried out so far.

  9. Solvent effect on thermodynamics of Ag(I) coordination to tripodal polypyridine ligands

    DEFF Research Database (Denmark)

    Del Piero, Silvia; Melchior, Andrea; Menotti, Davide

    2009-01-01

      An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO) and dimeth......  An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO......)ethyl)amine  (Me3TREN) as a result of  combination of structural rigidity of TPA and lower s-donor ability of pyridinic moieties with respect to primary and secondary amines. The same trend is found if the stability of Ag(I) complex with TPA is compared with that of tris(2-(dimethylamino)ethyl)amine  (ME6TREN...... is largely influenced by the different solvational properties of the solvents towards Ag(I) ion rather than by the significative difference in the dielectric constants. Udgivelsesdato: Oktober...

  10. Effect of annealing on SiO{sub x}-TiO{sub 2} axial heterostructure nanowires and improved photodetection

    Energy Technology Data Exchange (ETDEWEB)

    Dhar, J. C.; Singh, N. K. [Department of Electronics and Communication Engineering, National Institute of Technology Nagaland, Dimapur, Nagaland 797103 (India); Mondal, A., E-mail: aniruddhamo@gmail.com; Chakrabartty, S. [Department of Electronics and Communication Engineering, National Institute of Technology Agartala, Jirania, Tripura (West) 799055 (India); Bhattacharyya, A. [Department of Radio Physics and Electronics, University of Calcutta, Kolkata 700009 (India); Chattopadhyay, K. K. [Department of Physics, Jadavpur University, Kolkata 700032 (India)

    2013-12-28

    Glancing angle deposition technique has been used to synthesize the axial heterostructure SiO{sub x}-TiO{sub 2} nanowires (NWs) on the Si substrate. The field emission gun scanning electron microscope image shows the formation of perpendicular NWs on Si substrate. A typical transmission electron microscope image confirms the heterostructure NW which consists of SiO{sub x} of length ∼130 nm and TiO{sub 2} of length ∼170 nm. The amorphous NWs transformed to polycrystalline nature after annealing. The trap assisted radiative recombination process is absent for the annealed NWs. An averagely 1.1 fold enhanced photoabsorption was exhibited by the annealed NWs in the 200–350 nm region and 1.5 fold in the 500–850 nm region. The leakage current (2.6 × 10{sup −8} A/cm{sup 2} at −0.5 V) significantly reduced for annealed NWs device. A maximum 1.4 × 10{sup 3} times enlarged photodetection has been observed for annealed device.

  11. Investigation of an Axial Fan—Blade Stress and Vibration Due to Aerodynamic Pressure Field and Centrifugal Effects

    Science.gov (United States)

    Xu, Cheng; Amano, Ryoichi Samuel; Lee, Eng Kwong

    A 1.829m (6ft) diameter industrial large flow-rate axial fan operated at 1770rpm was studied experimentally in laboratory conditions. The flow characteristics on the fan blade surfaces were investigated by measuring the pressure distributions on the blade suction and pressure surfaces and the results were discussed by comparing with analytical formulations and CFD. Flow visualizations were also performed to validate the flow characteristics near the blade surface and it was demonstrated that the flow characteristics near the fan blade surface were dominated by the centrifugal force of the fan rotation which resulted in strong three-dimensional flows. The time-dependent pressure measurement showed that the pressure oscillations on the fan blade were significantly dominated by vortex shedding from the fan blades. It was further demonstrated that the pressure distributions during the fan start-up were highly unsteady, and the main frequency variation of the static pressure was much smaller than the fan rotational frequency. The time-dependent pressure measurement when the fan operated at a constant speed showed that the magnitude of the blade pressure variation with time and the main variation frequency was much smaller than the fan rotational frequency. The pressure variations that were related to the vortex shedding were slightly smaller than the fan rotational frequency. The strain gages were used to measure the blade stress and the results were compared with FEA results.

  12. Effects of Temperature and Axial Strain on Four-Wave Mixing Parametric Frequencies in Microstructured Optical Fibers Pumped in the Normal Dispersion Regime

    Directory of Open Access Journals (Sweden)

    Javier Abreu-Afonso

    2014-10-01

    Full Text Available A study of the effect of temperature and axial strain on the parametric wavelengths produced by four-wave mixing in microstructured optical fibers is presented. Degenerate four-wave mixing was generated in the fibers by pumping at normal dispersion, near the zero-dispersion wavelength, causing the appearance of two widely-spaced four-wave mixing spectral bands. Temperature changes, and/or axial strain applied to the fiber, affects the dispersion characteristics of the fiber, which can result in the shift of the parametric wavelengths. We show that the increase of temperature causes the signal and idler wavelengths to shift linearly towards shorter and longer wavelengths, respectively. For the specific fiber of the experiment, the band shift at rates ­–0.04 nm/ºC and 0.3 nm/ºC, respectively. Strain causes the parametric bands to shift in the opposite way. The signal band shifted 2.8 nm/me and the idler -5.4 nm/me. Experimental observations are backed by numerical simulations.

  13. Convective heat transfer for a gaseous slip flow in micropipe and parallel-plate microchannel with uniform wall heat flux: effect of axial heat conduction

    Science.gov (United States)

    Haddout, Y.; Essaghir, E.; Oubarra, A.; Lahjomri, J.

    2018-06-01

    Thermally developing laminar slip flow through a micropipe and a parallel plate microchannel, with axial heat conduction and uniform wall heat flux, is studied analytically by using a powerful method of self-adjoint formalism. This method results from a decomposition of the elliptic energy equation into a system of two first-order partial differential equations. The advantage of this method over other methods, resides in the fact that the decomposition procedure leads to a selfadjoint problem although the initial problem is apparently not a self-adjoint one. The solution is an extension of prior studies and considers a first order slip model boundary conditions at the fluid-wall interface. The analytical expressions for the developing temperature and local Nusselt number in the thermal entrance region are obtained in the general case. Therefore, the solution obtained could be extended easily to any hydrodynamically developed flow and arbitrary heat flux distribution. The analytical results obtained are compared for select simplified cases with available numerical calculations and they both agree. The results show that the heat transfer characteristics of flow in the thermal entrance region are strongly influenced by the axial heat conduction and rarefaction effects which are respectively characterized by Péclet and Knudsen numbers.

  14. Impact of the thermal effect on the load-carrying capacity of a slipper pair for an aviation axial-piston pump

    Directory of Open Access Journals (Sweden)

    Hesheng TANG

    2018-02-01

    Full Text Available A thermal hydraulic model based on the lumped parameter method is presented to analyze the load-carrying capacity of a slipper pair in an aviation axial-piston pump under specified operating conditions. Both theoretical and experimental results are presented to demonstrate the validity of the thermal hydraulic model. The results illustrate that the squeezing force and thermal wedge bearing force are the main factors that affect the film thickness and load-carrying capacity. At high oil temperature and high load pressure, the film thickness decreases with increasing clamping force due to a combined action of the squeezing bearing force and the thermal wedge bearing force, but the load-carrying capacity will increase. An increase of the film thickness is proven to be beneficial under high shaft rotational speed but especially dangerous as it strongly increases the ripple amplitude of the film thickness, which leads to decreasing the load-carrying capacity. The structural parameters of the slipper can be optimized to achieve desired performance, such as the slipper radius ratio and orifice length diameter ratio. To satisfy the requirement of the load-carrying capacity, the slipper radius ratio should be selected from 1.4 to 1.8, and the orifice length diameter ratio should be selected from 4 to 5. Keywords: Aviation axial piston pump, Fluid lubrication, Load-carrying capacity, Slipper pair, Thermal effect

  15. Evaluation of the Effect of Axial Wall Modification and Coping Design on the Retention of Cement-retained Implant-supported Crowns

    Science.gov (United States)

    Derafshi, Reza; Ahangari, Ahmad Hasan; Torabi, Kianoosh; Farzin, Mitra

    2015-01-01

    Background and aims. Because of compromised angulations of implants, the abutments are sometimes prepared. The purpose of this study was to investigate the effect of removing one wall of the implant abutment on the retention of cement-retained crowns. Materials and methods. Four prefabricated abutments were attached to analogues and embedded in acrylic resin blocks. The first abutment was left intact. Axial walls were partially removed from the remaining abutments to produce abutments with three walls. The screw access channel for the first and second abutments were completely filled with composite resin. For the third and fourth abutments, only partial filling was done. Wax-up models were made by CAD/CAM. Ten cast copings were fabricated for each abutment. The copings of fourth abutment had an extension into the screw access channel. Copings were cemented with Temp Bond. The castings were removed from the abutment using an Instron machine, and the peak removal force was recorded. A one-way ANOVA was used to test for a significant difference followed by the pairwise comparisons. Results. The abutments with opened screw access channel had a significantly higher retention than the two other abutments. The abutment with removed wall and no engagement into the hole by the castings exhibited the highest retention. Conclusion. Preserving the opening of screw access channel significantly increases the retention where one of the axial walls of implant abutments for cement-retained restorations is removed during preparation. PMID:25973152

  16. Dissipative axial inflation

    Energy Technology Data Exchange (ETDEWEB)

    Notari, Alessio [Departament de Física Fondamental i Institut de Ciències del Cosmos, Universitat de Barcelona, Martí i Franquès 1, Barcelona, 08028 Spain (Spain); Tywoniuk, Konrad, E-mail: notari@ffn.ub.es, E-mail: konrad.tywoniuk@cern.ch [Theoretical Physics Department, CERN, Geneva (Switzerland)

    2016-12-01

    We analyze in detail the background cosmological evolution of a scalar field coupled to a massless abelian gauge field through an axial term φ/ f {sub γ} F ∼ F , such as in the case of an axion. Gauge fields in this case are known to experience tachyonic growth and therefore can backreact on the background as an effective dissipation into radiation energy density ρ{sub R}, which can lead to inflation without the need of a flat potential. We analyze the system, for momenta k smaller than the cutoff f {sub γ}, including the backreaction numerically. We consider the evolution from a given static initial condition and explicitly show that, if f {sub γ} is smaller than the field excursion φ{sub 0} by about a factor of at least O (20), there is a friction effect which turns on before the field can fall down and which can then lead to a very long stage of inflation with a generic potential. In addition we find superimposed oscillations, which would get imprinted on any kind of perturbations, scalars and tensors. Such oscillations have a period of 4–5 efolds and an amplitude which is typically less than a few percent and decreases linearly with f {sub γ}. We also stress that the curvature perturbation on uniform density slices should be sensitive to slow-roll parameters related to ρ{sub R} rather than φ-dot {sup 2}/2 and we discuss the existence of friction terms acting on the perturbations, although we postpone a calculation of the power spectrum and of non-gaussianity to future work and we simply define and compute suitable slow roll parameters. Finally we stress that this scenario may be realized in the axion case, if the coupling 1/ f {sub γ} to U(1) (photons) is much larger than the coupling 1/ f {sub G} to non-abelian gauge fields (gluons), since the latter sets the range of the potential and therefore the maximal allowed φ{sub 0∼} f {sub G}.

  17. On renormalization of axial anomaly

    International Nuclear Information System (INIS)

    Efremov, A.V.; Teryaev, O.V.

    1989-01-01

    It is shown that multiplicative renormalization of the axial singlet current results in renormalization of the axial anomaly in all orders of perturbation theory. It is a necessary condition for the Adler - Bardeen theorem being valid. 10 refs.; 2 figs

  18. Axial tomographic scanner

    International Nuclear Information System (INIS)

    1976-01-01

    An axial tomographic system is described comprising axial tomographic means for collecting sets of data corresponding to the transmission or absorption of a number of beams of penetrating radiation through a planar slice of an object. It includes means to locate an object to be analyzed, a source and detector for directing one or more beams of penetrating radiation through the object from the source to the detector, and means to rotate (and optionally translate) the source as well as means to process the collected sets of data. Data collection, data processing, and data display can each be conducted independently of each other. An additional advantage of the system described is that the raw data (i.e., the originally collected data) are not destroyed by the data processing but instead are retained intact for further reference or use, if needed

  19. Dynamical Binding Modes Determine Agonistic and Antagonistic Ligand Effects in the Prostate-Specific G-Protein Coupled Receptor (PSGR).

    Science.gov (United States)

    Wolf, Steffen; Jovancevic, Nikolina; Gelis, Lian; Pietsch, Sebastian; Hatt, Hanns; Gerwert, Klaus

    2017-11-22

    We analysed the ligand-based activation mechanism of the prostate-specific G-protein coupled receptor (PSGR), which is an olfactory receptor that mediates cellular growth in prostate cancer cells. Furthermore, it is an olfactory receptor with a known chemically near identic antagonist/agonist pair, α- and β-ionone. Using a combined theoretical and experimental approach, we propose that this receptor is activated by a ligand-induced rearrangement of a protein-internal hydrogen bond network. Surprisingly, this rearrangement is not induced by interaction of the ligand with the network, but by dynamic van der Waals contacts of the ligand with the involved amino acid side chains, altering their conformations and intraprotein connectivity. Ligand recognition in this GPCR is therefore highly stereo selective, but seemingly lacks any ligand recognition via polar contacts. A putative olfactory receptor-based drug design scheme will have to take this unique mode of protein/ligand action into account.

  20. Inverse axial mounting stiffness design for lithographic projection lenses.

    Science.gov (United States)

    Wen-quan, Yuan; Hong-bo, Shang; Wei, Zhang

    2014-09-01

    In order to balance axial mounting stiffness of lithographic projection lenses and the image quality under dynamic working conditions, an easy inverse axial mounting stiffness design method is developed in this article. Imaging quality deterioration at the wafer under different axial vibration levels is analyzed. The desired image quality can be determined according to practical requirements, and axial vibrational tolerance of each lens is solved with the damped least-squares method. Based on adaptive interval adjustment, a binary search algorithm, and the finite element method, the axial mounting stiffness of each lens can be traveled in a large interval, and converges to a moderate numerical solution which makes the axial vibrational amplitude of the lens converge to its axial vibrational tolerance. Model simulation is carried out to validate the effectiveness of the method.

  1. Azido, triazolyl, and alkynyl complexes of gold(I): syntheses, structures, and ligand effects.

    Science.gov (United States)

    Robilotto, Thomas J; Deligonul, Nihal; Updegraff, James B; Gray, Thomas G

    2013-08-19

    Gold(I) triazolyl complexes are prepared in [3 + 2] cycloaddition reactions of (tertiary phosphine)gold(I) azides with terminal alkynes. Seven such triazolyl complexes, not previously prepared, are described. Reducible functional groups are accommodated. In addition, two new (N-heterocyclic carbene)gold(I) azides and two new gold(I) alkynyls are described. Eight complexes are crystallographically authenticated; aurophilic interactions appear in one structure only. The packing diagrams of gold(I) triazolyls all show intermolecular hydrogen bonding between N-1 of one molecule and N-3 of a neighbor. This hydrogen bonding permeates the crystal lattice. Density-functional theory calculations of (triphenylphosphine)gold(I) triazolyls and the corresponding alkynyls indicate that the triazolyl is a stronger trans-influencer than is the alkynyl, but the alkynyl is more electron-releasing. These results suggest that trans-influences in two-coordinate gold(I) complexes can be more than a simple matter of ligand donicity.

  2. Effect of iodination site on binding of radiolabeled ligand by insulin antibodies and insulin autoantibodies

    International Nuclear Information System (INIS)

    Diaz, J.L.; Wilkin, T.J.

    1988-01-01

    Four human insulins and four porcine insulins, each monoiodinated to the same specific activity at one of the four tyrosine residues (A14, A19, B16, B26) and purified by reversed-phase liquid chromatography, were tested in a radiobinding assay against a panel of insulin-antibody (IA)-positive sera from 10 insulin-treated diabetics and insulin-autoantibody-positive (IAA) sera from 10 nondiabetics. Of the 10 IAA-positive sera, five were fully cross reactive with both insulin species, and five were specific for human insulin. The rank order of binding of sera with the four ligands from each species was random for IA (mean rank values of 1.9 for A14, 2.0 for A19, 2.5 for B16, and 3.6 for B26 from a possible ranking range of 1 to 4), but more consistent for non-human-insulin-specific IAA (mean rank values 1.3 for A14, 3.8 for A19, 1.7 for B16, and 3.2 for B26 for labeled human insulins; 1.2 for A14, 4.0 for A19, 1.8 for B16, and 3.0 for B26 for labeled porcine insulins). The rank order of binding was virtually uniform for human-insulin-specific IAA (mean values 1.2 for A14, 3.0 for A19, 1.8 for B16, and 4.0 for B26). The influence of iodination site on the binding of labeled insulin appears to be dependent on the proximity of the labeled tyrosine to the antibody binding site and the clonal diversity, or restriction, of insulin-binding antibodies in the test serum. When IA and IAA are measured, the implications of this study regarding the choice of assay ligand may be important

  3. High temperature co-axial winding transformers

    Science.gov (United States)

    Divan, Deepakraj M.; Novotny, Donald W.

    1993-01-01

    The analysis and design of co-axial winding transformers is presented. The design equations are derived and the different design approaches are discussed. One of the most important features of co-axial winding transformers is the fact that the leakage inductance is well controlled and can be made low. This is not the case in conventional winding transformers. In addition, the power density of co-axial winding transformers is higher than conventional ones. Hence, using co-axial winding transformers in a certain converter topology improves the power density of the converter. The design methodology used in meeting the proposed specifications of the co-axial winding transformer specifications are presented and discussed. The final transformer design was constructed in the lab. Co-axial winding transformers proved to be a good choice for high power density and high frequency applications. They have a more predictable performance compared with conventional transformers. In addition, the leakage inductance of the transformer can be controlled easily to suit a specific application. For space applications, one major concern is the extraction of heat from power apparatus to prevent excessive heating and hence damaging of these units. Because of the vacuum environment, the only way to extract heat is by using a cold plate. One advantage of co-axial winding transformers is that the surface area available to extract heat from is very large compared to conventional transformers. This stems from the unique structure of the co-axial transformer where the whole core surface area is exposed and can be utilized for cooling effectively. This is a crucial issue here since most of the losses are core losses.

  4. Field-effect measurements of mobility and carrier concentration of Cu2S colloidal quantum dot thin films after ligand exchange

    International Nuclear Information System (INIS)

    Brewer, Adam S.; Arnold, Michael S.

    2014-01-01

    Colloidal quantum dots (CQDs) of copper sulfide (Cu 2 S), an earth-abundant semiconductor, have a number of intriguing applications that require knowledge of their electrical properties. Depending on stoichiometry, mobility, and surface treatment, applications include photoabsorbers for solar cells, tunable plasmonics, and counter-electrodes for polysulfate electrolytes. However, there have not been any direct measurements of electrical properties in Cu 2 S CQD thin films. Here, we exchange as synthesized dodecanethiol ligands with short ethanedithiol or ethylenediamine ligands to form thin films of coupled Cu 2 S CQDs. The mobility and carrier concentration were found to vary by ligand treatment from 10 −5 cm 2 /Vs and 10 19 holes/cm 3 for ethanedithiol ligands to 10 −3 cm 2 /Vs and 10 20 holes/cm 3 for ethylenediamine. These results are consistent with the carrier concentrations inferred from sub-bandgap surface-plasmon-resonances measured by infrared spectroscopy. These results will be useful when designing Cu 2 S materials for future applications. - Highlights: • Colloidal Cu2S quantum dots were synthesized and characterized. • Ligand exchange was performed to alter the Cu2S nanocrystal properties. • Ligand exchange was studied using photoluminescence and infrared spectroscopy. • Field effect mobility and carrier concentration were directly measured. • Carrier concentration was compared to estimates from surface plasmon resonances

  5. Effect of diameter and axial location on upward gas–liquid two-phase flow patterns in intermediate-scale vertical tubes

    International Nuclear Information System (INIS)

    Ansari, M.R.; Azadi, R.

    2016-01-01

    Highlights: • A vertical two-phase flow system is manufactured to study flow behavior adiabatically. • Two test sections are studied with inner diameters of 40 mm and 70 mm at two locations. • Flow pattern maps are presented for both tubes. • Effects of tube diameter and heights on pattern transition boundaries are investigated. • Three sub-patterns bubbly flow and two types of slug pattern are recognized. - Abstract: In the present research, a two-phase flow system is designed, manufactured, assembled and adjusted to study two-phase flow behavior isothermally. Test sections are tubes standing in vertical position and are made of transparent acrylic with inner diameters of 40 mm and 70 mm. Two axial locations of 1.73 m and 3.22 m are chosen for data acquisition. Flow pattern maps are presented for both tubes. Effects of tube diameter and axial location on pattern transition boundaries are investigated. Air and water are chosen as working fluids. The range of air and water superficial velocities are 0.054–9.654 m/s and 0.015–0.877 m/s for the 40 mm diameter tube, but these values are 0.038–20.44 m/s and 0.036–1.530 m/s for 70 mm diameter tube. The results show that for both tubes, increasing axial location does not affect flow transition boundaries significantly. However, slug pattern region shrinks considerably by changing tube diameter from 40 mm to 70 mm. Using image processing techniques, recorded high speed movies were investigated accurately. As a result, bubbly flow in the 40 mm tube can be divided into three sub-patterns as dispersed, agitated and agglomerated bubbly. Also, two types of slug pattern are also recognized in the same tube diameter which are called small and large slugs. Semi-annular flow is observed as an independent pattern in the 70 mm tube that does not behave as known churn or annular patterns.

  6. The influence of ligand field effects on the magnetic exchange of high-spin Co(II)-semiquinonate complexes.

    Science.gov (United States)

    Bencini, Alessandro; Beni, Alessandra; Costantino, Ferdinando; Dei, Andrea; Gatteschi, Dante; Sorace, Lorenzo

    2006-02-07

    [Co(Me(4)cyclam)(tropolonate)](PF(6)) was synthesised and structurally characterised. Its electronic and W-band EPR spectra have been analysed by means of the angular overlap calculation of the Spin Hamiltonian parameters that provided also a satisfactory reproduction of the temperature dependence of the magnetic susceptibility. The present results can be interpreted assuming a pseudo-octahedral character for the Co(II) center. This prompted us to reconsider the model formerly used for the analysis of the magnetic coupling between hs-Co(II) and the paramagnetic o-semiquinonate ligand in the corresponding derivatives [Co(Me(4)cyclam)(PhenSQ)](PF(6)) and [Co(Me(4)cyclam)(DTBSQ)](PF(6)). These results indicate that the effect of the magnetic coupling is active only below 50 K and that a more refined model of exchange coupling between Co(II) and semiquinonato ligands is needed to quantitatively analyze the magnetic behaviour of this class of systems.

  7. Acquisition session length modulates consolidation effects produced by 5-HT2C ligands in a mouse autoshaping-operant procedure.

    Science.gov (United States)

    Walker, Ellen A; Foley, John J

    2010-03-01

    Although the neurotransmitter, 5-hydroxytryptamine (serotonin, 5-HT), has been implicated as a mediator of learning and memory, the specific role of 5-HT receptors in rodents requires further delineation. In this study, 5-HT2C receptor ligands of varying relative intrinsic efficacies were tested in a mouse learning and memory model called autoshaping-operant. On day 1, mice were placed in experimental chambers and presented with a tone on a variable interval schedule. The tone remained on for 6 s or until a nose-poke response occurred to produce a dipper with Ensure solution. Mice were then injected with saline, MK212 (full agonist), m-chlorophenylpiperazine (partial agonist), mianserin, and SB206 553 (inverse agonists), and methysergide and (+)-2-bromo lysergic acid diethylamide (+)-hydrogen tartrate (neutral antagonists). Each compound was injected after either 1 or 2-h acquisition sessions on day 1 to investigate the role of acquisition session length on consolidation. Day 1 injection of the 5-HT2C inverse agonist mianserin produced greater retrieval impairments of the autoshaped operant response on day 2 than any other agent tested. Furthermore, decreasing the length of the acquisition session to 1h significantly increased the difficulty of the autoshaping task further modulating the consolidation effects produced by the 5-HT2C ligands tested.

  8. PWR AXIAL BURNUP PROFILE ANALYSIS

    International Nuclear Information System (INIS)

    J.M. Acaglione

    2003-01-01

    The purpose of this activity is to develop a representative ''limiting'' axial burnup profile for pressurized water reactors (PWRs), which would encompass the isotopic axial variations caused by different assembly irradiation histories, and produce conservative isotopics with respect to criticality. The effect that the low burnup regions near the ends of spent fuel have on system reactivity is termed the ''end-effect''. This calculation will quantify the end-effects associated with Pressurized Water Reactor (PWR) fuel assemblies emplaced in a hypothetical 21 PWR waste package. The scope of this calculation covers an initial enrichment range of 3.0 through 5.0 wt% U-235 and a burnup range of 10 through 50 GWd/MTU. This activity supports the validation of the process for ensuring conservative generation of spent fuel isotopics with respect to criticality safety applications, and the use of burnup credit for commercial spent nuclear fuel. The intended use of these results will be in the development of PWR waste package loading curves, and applications involving burnup credit. Limitations of this evaluation are that the limiting profiles are only confirmed for use with the B andW 15 x 15 fuel assembly design. However, this assembly design is considered bounding of all other typical commercial PWR fuel assembly designs. This calculation is subject to the Quality Assurance Requirements and Description (QARD) because this activity supports investigations of items or barriers on the Q-list (YMP 2001)

  9. Critical Axial Load

    Directory of Open Access Journals (Sweden)

    Walt Wells

    2008-01-01

    Full Text Available Our objective in this paper is to solve a second order differential equation for a long, simply supported column member subjected to a lateral axial load using Heun's numerical method. We will use the solution to find the critical load at which the column member will fail due to buckling. We will calculate this load using Euler's derived analytical approach for an exact solution, as well as Euler's Numerical Method. We will then compare the three calculated values to see how much they deviate from one another. During the critical load calculation, it will be necessary to calculate the moment of inertia for the column member.

  10. The effect of organic ligands on the crystallinity of calcium phosphate

    Science.gov (United States)

    van der Houwen, Jacqueline A. M.; Cressey, Gordon; Cressey, Barbara A.; Valsami-Jones, Eugenia

    2003-03-01

    Calcium phosphate phases precipitated under critical supersaturation were identified and studied in detail using X-ray powder diffraction, electron probe microanalysis, infrared spectroscopy (IR) and transmission electron microscopy. These synthetic calcium phosphates formed by spontaneous precipitation at pH 7, 25°C and 0.1 M ionic strength (NaCl as the background electrolyte). The combination of several methods allowed detailed characterisation of the calcium phosphates. The purpose of the work was to assess the influence of carboxylate ligands, specifically acetate and citrate, on the quality of the calcium phosphate precipitate. All precipitates were identified as non-stoichiometric, calcium-deficient hydroxylapatites (HAPs), containing carbonate, HPO 42-, sodium and chloride impurities. No other phases were found to be present in any of the precipitates. The presence of citrate resulted in a decrease in crystal size and a higher degree of apatite lattice imperfection in the precipitated HAP. Furthermore, IR spectroscopy showed a higher amount of carbonate present in that HAP, compared with the ones formed in the control and acetate experiments. An additional absorption band, in the infrared spectrum of the HAP formed in the presence of citrate, was observed at 1570 cm -1; this is interpreted as carboxyl groups bound to HAP.

  11. Chitosan and carboxymethyl-chitosan capping ligands: Effects on the nucleation and growth of hydroxyapatite nanoparticles for producing biocomposite membranes

    Energy Technology Data Exchange (ETDEWEB)

    Dumont, Vitor C.; Mansur, Alexandra A.P.; Carvalho, Sandhra M.; Medeiros Borsagli, Fernanda G.L.; Pereira, Marivalda M.; Mansur, Herman S., E-mail: hmansur@demet.ufmg.br

    2016-02-01

    predominant calcium phosphate phase produced during the co-precipitation aqueous process for both the chitosan and CMC biocomposites. These novel hybrid systems based on chitosan and chitosan-derivatives with nHA composites were non-cytotoxic to a human osteoblast-like model cell line (SAOS) according to MTT in vitro assays. Moreover, the CMC-nHA biocomposites revealed a striking improvement in the cell viability response compared to the CHI-nHA biocomposite, which was attributed to the much higher surface area caused by the refinement of the nanoparticles size. Thus, the results of this study demonstrate that these novel bionanocomposite membranes offer promising perspectives as biomaterials for potential repair and replacement of cartilage and bone tissues. - Highlights: • Nanohydroxyapatite particles prepared using chitosan-based ligands via aqueous route • Effects of chitosan and CMC on the nucleation and growth of hydroxyapatite particles • Biocomposites of HA nanoparticles in chitosan and O-carboxymethyl chitosan matrices • Nanocomposites were non-cytotoxic tested with SAOS cells using in vitro MTT assay • Chitosan bionanocomposites were produced for potential bone repair bioapplications.

  12. Humic Acid Complexation of Th, Hf and Zr in Ligand Competition Experiments: Metal Loading and Ph Effects

    Science.gov (United States)

    Stern, Jennifer C.; Foustoukos, Dionysis I.; Sonke, Jeroen E.; Salters, Vincent J. M.

    2014-01-01

    The mobility of metals in soils and subsurface aquifers is strongly affected by sorption and complexation with dissolved organic matter, oxyhydroxides, clay minerals, and inorganic ligands. Humic substances (HS) are organic macromolecules with functional groups that have a strong affinity for binding metals, such as actinides. Thorium, often studied as an analog for tetravalent actinides, has also been shown to strongly associate with dissolved and colloidal HS in natural waters. The effects of HS on the mobilization dynamics of actinides are of particular interest in risk assessment of nuclear waste repositories. Here, we present conditional equilibrium binding constants (Kc, MHA) of thorium, hafnium, and zirconium-humic acid complexes from ligand competition experiments using capillary electrophoresis coupled with ICP-MS (CE- ICP-MS). Equilibrium dialysis ligand exchange (EDLE) experiments using size exclusion via a 1000 Damembrane were also performed to validate the CE-ICP-MS analysis. Experiments were performed at pH 3.5-7 with solutions containing one tetravalent metal (Th, Hf, or Zr), Elliot soil humic acid (EHA) or Pahokee peat humic acid (PHA), and EDTA. CE-ICP-MS and EDLE experiments yielded nearly identical binding constants for the metal- humic acid complexes, indicating that both methods are appropriate for examining metal speciation at conditions lower than neutral pH. We find that tetravalent metals form strong complexes with humic acids, with Kc, MHA several orders of magnitude above REE-humic complexes. Experiments were conducted at a range of dissolved HA concentrations to examine the effect of [HA]/[Th] molar ratio on Kc, MHA. At low metal loading conditions (i.e. elevated [HA]/[Th] ratios) the ThHA binding constant reached values that were not affected by the relative abundance of humic acid and thorium. The importance of [HA]/[Th] molar ratios on constraining the equilibrium of MHA complexation is apparent when our estimated Kc, MHA values

  13. Spectroscopic and computational studies of cobalamin species with variable lower axial ligation: implications for the mechanism of Co-C bond activation by class I cobalamin-dependent isomerases.

    Science.gov (United States)

    Conrad, Karen S; Jordan, Christopher D; Brown, Kenneth L; Brunold, Thomas C

    2015-04-20

    5'-deoxyadenosylcobalamin (coenzyme B12, AdoCbl) serves as the cofactor for several enzymes that play important roles in fermentation and catabolism. All of these enzymes initiate catalysis by promoting homolytic cleavage of the cofactor's Co-C bond in response to substrate binding to their active sites. Despite considerable research efforts, the role of the lower axial ligand in facilitating Co-C bond homolysis remains incompletely understood. In the present study, we characterized several derivatives of AdoCbl and its one-electron reduced form, Co(II)Cbl, by using electronic absorption and magnetic circular dichroism spectroscopies. To complement our experimental data, we performed computations on these species, as well as additional Co(II)Cbl analogues. The geometries of all species investigated were optimized using a quantum mechanics/molecular mechanics method, and the optimized geometries were used to compute absorption spectra with time-dependent density functional theory. Collectively, our results indicate that a reduction in the basicity of the lower axial ligand causes changes to the cofactor's electronic structure in the Co(II) state that replicate the effects seen upon binding of Co(II)Cbl to Class I isomerases, which replace the lower axial dimethylbenzimidazole ligand of AdoCbl with a protein-derived histidine (His) residue. Such a reduction of the basicity of the His ligand in the enzyme active site may be achieved through proton uptake by the catalytic triad of conserved residues, DXHXGXK, during Co-C bond homolysis.

  14. Studies in stability constants of schiff base hydrazone complexes with transition metal ions. Effect of ligand on seed germination

    Science.gov (United States)

    Meshram, U. P.; Pethe, G. B.; Yaul, A. R.; Khobragade, B. G.; Narwade, M. L.

    2017-10-01

    Spectrophotometric investigation of Cu (II), Ni(II), Co(II), and Fe(III) complexes with 2,4-dihydroxyacetophonone 2,4-dichlorobenzoylhydrazone (H2L1) and 2,4-didydroxy-5-nitroacetophenone 2,4-dichlorobenzoylhydrazone (H2L2) shows 1: 1 and 1: 2 complex formation between the pH range of 3.0 to 6.0 and also studied by jobs variation method at 0.1 M ionic strength at 30 ± 1°C specrtophotometrically. The conditional stability constants are determined for 1: 1 complexes. Effect of H2L1 and H2L2 ligand and its complexes on seed germination is studied.

  15. The effect of ligand efficacy on the formation and stability of a GPCR-G protein complex

    DEFF Research Database (Denmark)

    Yao, Xiao Jie; Vélez Ruiz, Gisselle; Whorton, Matthew R

    2009-01-01

    G protein-coupled receptors (GPCRs) mediate the majority of physiologic responses to hormones and neurotransmitters. However, many GPCRs exhibit varying degrees of agonist-independent G protein activation. This phenomenon is referred to as basal or constitutive activity. For many of these GPCRs...... of an agonist, the beta(2)AR and Gs can be trapped in a complex by enzymatic depletion of guanine nucleotides. Formation of the complex is enhanced by the agonist isoproterenol, and it rapidly dissociates on exposure to concentrations of GTP and GDP found in the cytoplasm. The inverse agonist ICI prevents...... formation of the beta(2)AR-Gs complex, but has little effect on preformed complexes. These results provide insights into G protein-induced conformational changes in the beta(2)AR and the structural basis for ligand efficacy....

  16. Effects of Polyethylene Glycol Spacer Length and Ligand Density on Folate Receptor Targeting of Liposomal Doxorubicin In Vitro

    Directory of Open Access Journals (Sweden)

    Kumi Kawano

    2011-01-01

    Full Text Available The folate receptor is an attractive target for selective tumor delivery of liposomal doxorubicin (DXR because it is abundantly expressed in a large percentage of tumors. This study examined the effect of polyethylene glycol (PEG spacer length and folate ligand density on the targeting ability of folate-modified liposomes. Liposomes were modified with folate-derivatized PEG-distearoylphosphatidylethanolamine with PEG molecular weights of 2000, 3400, or 5000. The association of DXR-loaded liposomes with KB cells, which overexpress the folate receptor, was evaluated by flow cytometry at various ratios of folate modification. A low ratio of folate modification with a sufficiently long PEG chain showed the highest folate receptor-mediated association with the cells, but did not show the highest in vitro cytotoxicity. DXR release from folate-modified liposomes in endosomes might be different. These findings will be useful for designing folate receptor-targeting carriers.

  17. Axial nucleon form factors from lattice QCD

    International Nuclear Information System (INIS)

    Alexandrou, C.; Brinet, M.; Carbonell, J.; Harraud, P. A.; Papinutto, M.; Constantinou, M.; Guichon, P.; Jansen, K.; Korzec, T.

    2011-01-01

    We present results on the nucleon axial form factors within lattice QCD using two flavors of degenerate twisted mass fermions. Volume effects are examined using simulations at two volumes of spatial length L=2.1 fm and L=2.8 fm. Cut-off effects are investigated using three different values of the lattice spacings, namely a=0.089 fm, a=0.070 fm and a=0.056 fm. The nucleon axial charge is obtained in the continuum limit and chirally extrapolated to the physical pion mass enabling comparison with experiment.

  18. Construction of axial chirality by rhodium-catalyzed asymmetric dehydrogenative Heck coupling of biaryl compounds with alkenes.

    Science.gov (United States)

    Zheng, Jun; You, Shu-Li

    2014-11-24

    Enantioselective construction of axially chiral biaryls by direct C-H bond functionalization reactions has been realized. Novel axially chiral biaryls were synthesized by the direct C-H bond olefination of biaryl compounds, using a chiral [Cp*Rh(III)] catalyst, in good to excellent yields and enantioselectivities. The obtained axially chiral biaryls were found as suitable ligands for rhodium-catalyzed asymmetric conjugate additions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Axial skeletal CT densitometry

    International Nuclear Information System (INIS)

    Lampmann, L.E.H.

    1982-01-01

    Since the discovery of the Roentgen ray a precise and accurate assessment of bone mineral content has been a challenge to many investigators. A number of methods have been developed but no one satisfied. Considering its technical possibilities computed tomography is very promising in determination of bone mineral content (BMC). The new modality enables BMC estimations in the axial skeletal trabecular bone. CT densitometry can be performed on a normal commercially available third generation whole body CT scanner. No dedicated device in a special clinical set-up is necessary. In this study 106 patients, most of them clinically suspected of osteoporosis, were examined. The new method CT densitometry has been evaluated. The results have been correlated to alternative BMC determination methods. (Auth.)

  20. Sigma-1 and Sigma-2 receptor ligands induce apoptosis and autophagy but have opposite effect on cell proliferation in uveal melanoma.

    Science.gov (United States)

    Longhitano, Lucia; Castracani, Carlo Castruccio; Tibullo, Daniele; Avola, Roberto; Viola, Maria; Russo, Giuliano; Prezzavento, Orazio; Marrazzo, Agostino; Amata, Emanuele; Reibaldi, Michele; Longo, Antonio; Russo, Andrea; Parrinello, Nunziatina Laura; Volti, Giovanni Li

    2017-10-31

    Uveal melanoma is the most common primary intraocular tumor in adults, with about 1200-1500 new cases occurring per year in the United States. Metastasis is a frequent occurrence in uveal melanoma, and outcomes are poor once distant spread occurs and no clinically significant chemotherapeutic protocol is so far available. The aim of the present study was to test the effect of various σ 1 and σ 2 receptor ligands as a possible pharmacological strategy for this rare tumor. Human uveal melanoma cells (92.1) were treated with various concentrations of different σ 2 ligands (haloperidol and haloperidol metabolite II) and σ 1 ligand ((+)-pentazocine) at various concentrations (1, 10 and 25 μM) and time points (0, 4 h, 8 h, 24 h and 48 h). Cell proliferation and migration were evaluated respectively by continuous cell monitoring by xCELLigence analysis, clonogenic assay and wound healing. Apoptosis and autophagy were also measured by cytofluorimetric and microscopy analysis. Our results showed that σ 2 receptor ligands significantly reduced cell proliferation whereas (+)-pentazocine exhibited opposite results. All tested ligands showed significant decrease in cell migration. Interestingly, both σ 1 and σ 2 receptor ligands showed significant increase of autophagy and apoptosis at all concentrations. Taken all together these results suggest that sigma receptors mediates opposite biological effects but they also share common pharmacological effect on apoptosis and autophagy in uveal melanoma. In conclusion, these data provide the first evidence that sigma receptors may represent a "druggable" target to develop new chemotherapic agent for uveal melanoma.

  1. Effect of ligand self-assembly on nanostructure and carrier transport behaviour in CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Li, Kuiying, E-mail: kuiyingli@ysu.edu.cn; Xue, Zhenjie

    2014-11-14

    Adjustment of the nanostructure and carrier behaviour of CdSe quantum dots (QDs) by varying the ligands used during QD synthesis enables the design of specific quantum devices via a self-assembly process of the QD core–shell structure without additional technologies. Surface photovoltaic (SPV) technology supplemented by X-ray diffractometry and infrared absorption spectroscopy were used to probe the characteristics of these QDs. Our study reveals that while CdSe QDs synthesized in the presence of and capped by thioglycolic acid, 3-mercaptopropionic acid, mercaptoethanol or α-thioglycerol ligands display zinc blende nanocrystalline structures, CdSe QDs modified by L-cysteine possess wurtzite nanocrystalline structures, because different end groups in these ligands induce distinctive nucleation and growth mechanisms. Carboxyl end groups in the ligand served to increase the SPV response of the QDs, when illuminated by hν ≥ E{sub g,nano-CdSe}. Increased length of the alkyl chains and side-chain radicals in the ligands partially inhibit photo-generated free charge carrier (FCC) transfer transitions of CdSe QDs illuminated by photon energy of 4.13 to 2.14 eV. The terminal hydroxyl group might better accommodate energy released in the non-radiative de-excitation process of photo-generated FCCs in the ligand's lowest unoccupied molecular orbital in the 300–580 nm wavelength region, when compared with other ligand end groups. - Highlights: • CdSe QDs modified by L-cysteine possess wurtzite nanocrystalline structures. • Carboxyl end groups in the ligand serve to increase the SPV response of CdSe QDs. • Terminal hydroxyl group in the ligand might accommodate non-radiative de-excitation process in CdSe QDs. • Increased length of the alkyl chains and side-chain radicals in the ligands partially inhibit carriers transport of CdSe QDs.

  2. The specific heat loss combined with the thermoelastic effect for an experimental analysis of the mean stress influence on axial fatigue of stainless steel plain specimens

    Directory of Open Access Journals (Sweden)

    G. Meneghetti

    2014-10-01

    Full Text Available The energy dissipated to the surroundings as heat in a unit volume of material per cycle, Q, was recently proposed by the authors as fatigue damage index and it was successfully applied to correlate fatigue data obtained by carrying out fully reversed stress- and strain-controlled fatigue tests on AISI 304L stainless steel plain and notched specimens. The use of the Q parameter to analyse the experimental results led to the definition of a scatter band having constant slope from the low- to the high-cycle fatigue regime. In this paper the energy approach is extended to analyse the influence of mean stress on the axial fatigue behaviour of unnotched cold drawn AISI 304L stainless steel bars. In view of this, stress controlled fatigue tests on plain specimens at different load ratios R (R=-1; R=0.1; R=0.5 were carried out. A new energy parameter is defined to account for the mean stress effect, which combines the specific heat loss Q and the relative temperature variation due to the thermoelastic effect corresponding to the achievement of the maximum stress level of the stress cycle. The new two-parameter approach was able to rationalise the mean stress effect observed experimentally. It is worth noting that the results found in the present contribution are meant to be specific for the material and testing condition investigated here.

  3. Improving the lattice axial vector current

    International Nuclear Information System (INIS)

    Horsley, R.; Perlt, H.; Schiller, A.; Zanotti, J.M.

    2015-11-01

    For Wilson and clover fermions traditional formulations of the axial vector current do not respect the continuum Ward identity which relates the divergence of that current to the pseudoscalar density. Here we propose to use a point-split or one-link axial vector current whose divergence exactly satisfies a lattice Ward identity, involving the pseudoscalar density and a number of irrelevant operators. We check in one-loop lattice perturbation theory with SLiNC fermion and gauge plaquette action that this is indeed the case including order O(a) effects. Including these operators the axial Ward identity remains renormalisation invariant. First preliminary results of a nonperturbative check of the Ward identity are also presented.

  4. Effects on normal tissues during radiosensitization of Dalton's Lymphoma by the DNA ligand Hoechst 33342 in Balb/c mice

    International Nuclear Information System (INIS)

    Kalra, Namita; Sampath, Swapna; Adhikari, J.S.; Dwarakanath, B.S.

    2014-01-01

    Hoechst 33342 is a bisbenzimidazole derivative with AT specific minor groove DNA binding ability. Scavenging of free radicals and stabilization of macromolecular structure resulting in reduced induction of DNA damage contributes to radioprotection afforded by the ligand. Their ability to inhibit topoisomerases I and II, which play important roles in damage response pathways including DNA repair has been shown to sensitize tumor cells in vitro and in vivo. Due to its mutagenic and clastogenic potentials, damage to vital normal tissues are a matter of concern in deploying the ligand as adjuvant in radiotherapy. Therefore, we investigated the effects of the ligand in Dalton's Lymphoma (DL) bearing Balb/c mice by studying the local tumor control and animal survival, besides damage to normal tissues like bone marrow, kidney and testis. Hoechst 33342 (10 mg/kg b wt) was administered (i.v.) 1 h before focal irradiation (10 Gy) of the tumor (∼ 500 mm 3 ) grown on the hind leg of the mice. Partial response with a growth delay of 16 days (3 x initial volume) was seen following irradiation, while a complete response (cure; tumor-free survival) was observed in 88% mice following the combined treatment (Hoechst 33342+radiation); ligand alone had no significant effect. Although the ligand induced marginal degree of chromosomal aberrations in the bone marrow, it did not enhance aberrations induced by radiation further. In testes, the proportions of diploid, haploid and hypo-haploid cells as well as resting primary spermatocytes (RPS) were not significantly altered by either. In kidney, Hoechst 33342 alone or in combination with radiation did not cause significant damage to the proximal tubules and glomeruli. These observations suggest that radiosensitization of tumor by the DNA ligand Hoechst 33342 may not be associated with enhanced toxicity to bone marrow as well as proximal normal tissues. (author)

  5. Effect of axial strain on the critical current of Ag-sheathed Bi-based superconductors in magnetic fields up to 25 T

    International Nuclear Information System (INIS)

    Ekin, J.W.; Finnemore, D.K.; Li, Q.; Tenbrink, J.; Carter, W.

    1992-01-01

    The irreversible strain limit ε irrev for the onset of permanent axial strain damage to Ag-sheathed Bi 2 Sr 2 Ca 1 Cu 2 O 8+x and Bi 2 Sr 2 Ca 2 Cu 3 O 10+x superconductors has been measured to be in the range of 0.2%--0.35%. This strain damage onset is about an order of magnitude higher than for bulk sintered Y-, Bi-, or Tl-based superconductors and is approaching practical values for magnet design. The measurements show that the value of ε irrev is not dependent on magnetic field, nor does the critical current depend on strain below ε irrev at least up to 25 T at 4.2 K. Both of these factors indicate that the observed strain effect in Ag-sheathed Bi-based superconductors is not intrinsic to the superconductor material. Rather, the effect is extrinsic and arises from superconductor fracture. Thus, the damage onset is amenable to further enhancement. Indeed, the data suggest that subdividing the superconductor into fine filaments or adding Ag to the superconductor powder prior to processing significantly enhances the damage threshold ε irrev to above 0.6%

  6. Numerical Study Of The Effects Of Preloading, Axial Loading And Concrete Shrinkage On Reinforced Concrete Elements Strengthened By Concrete Layers And Jackets

    International Nuclear Information System (INIS)

    Lampropoulos, A. P.; Dritsos, S. E.

    2008-01-01

    In this study, the technique of seismic strengthening existing reinforced concrete columns and beams using additional concrete layers and jackets is examined. The finite element method and the finite element program ATENA is used in this investigation. When a reinforced jacket or layer is being constructed around a column it is already preloaded due to existing service loads. This effect has been examined for different values of the axial load normalized to the strengthened column. The techniques of strengthening with a concrete jacket or a reinforced concrete layer on the compressive side of the column are examined. Another phenomenon that is examined in this study is the shrinkage of the new concrete of an additional layer used to strengthen an existing member. For this investigation, a simply supported beam with an additional reinforced concrete layer on the tensile side is examined. The results demonstrate that the effect of preloading is important when a reinforced concrete layer is being used with shear connectors between the old and the new reinforcement. It was also found that the shrinkage of the new concrete reduces the strength of the strengthened beam and induces an initial sliding between the old and the new concrete

  7. The effect of radiotherapy, and radiotherapy combined with bisphosphonates or RANK ligand inhibitors on bone quality in bone metastases. A systematic review

    NARCIS (Netherlands)

    Groenen, K.H.J.; Pouw, M.H.; Hannink, G.; Hosman, A.J.; van der Linden, Y.M.; Verdonschot, Nicolaas Jacobus Joseph; Tanck, E.

    2016-01-01

    Purpose The role of radiotherapy in stabilizing metastatic bones is unclear. This systematic review assessed the effects of (1) radiotherapy, (2) radiotherapy combined with bisphosphonates, and (3) radiotherapy combined with RANK ligand (RANKL) inhibitors on bone quality and bone strength in bone

  8. What Is the True Color of Fresh Meat? A Biophysical Undergraduate Laboratory Experiment Investigating the Effects of Ligand Binding on Myoglobin Using Optical, EPR, and NMR Spectroscopy

    Science.gov (United States)

    Linenberger, Kimberly; Bretz, Stacey Lowery; Crowder, Michael W.; McCarrick, Robert; Lorigan, Gary A.; Tierney, David L.

    2011-01-01

    With an increased focus on integrated upper-level laboratories, we present an experiment integrating concepts from inorganic, biological, and physical chemistry content areas. Students investigate the effects of ligand strength on the spectroscopic properties of the heme center in myoglobin using UV-vis, [superscript 1]H NMR, and EPR…

  9. The axial polarizability of nucleons and nuclei

    International Nuclear Information System (INIS)

    Ericson, M.; Figureau, A.

    1981-02-01

    The part of the static nuclear axial polarizability arising from the nucleonic excitations is derived from the low energy expansion of the πN amplitude. It is shown that the contribution of the Δ intermediate state, though dominant, does not saturate the nucleonic response. A similar effect, though more pronounced, is known to occur for the magnetic susceptibility

  10. Tumor necrosis factor-α inhibits effects of aryl hydrocarbon receptor ligands on cell death in human lymphocytes.

    Science.gov (United States)

    Ghatrehsamani, Mahdi; Soleimani, Masoud; Esfahani, Behjat A Moayedi; Shirzad, Hedayatollah; Hakemi, Mazdak G; Mossahebimohammadi, Majid; Eskandari, Nahid; Adib, Minoo

    2015-01-01

    Activation of aryl hydrocarbon receptor (AhR) leads to diverse outcome in various kinds of cells. AhR activation may induce apoptosis or prevent of apoptosis and cell death. Recent studies suggest that apoptosis effects of AhR can be modulated by inflammatory cytokine like tumor necrosis factor alpha (TNF-α). In this study, we try to investigate the possible interaction of TNF-α with the 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin (TCDD), a ligand of AhR, on peripheral lymphocytes. Human peripheral blood mononuclear cells (PBMCs) were isolated from peripheral blood by discontinuous density gradient centrifugation on ficoll. Isolated PBMCs were divided into four groups: Control group, TNF-α administered group, TCDD administered group, co-administered group with TCDD and TNF-α. Cells were maintained for a week in lymphocyte culture condition. Then, TNF-α was added to group 2 and 4. Finally, apoptosis and necrosis were analyzed in all samples using flowcytometry. In group 4, the mean percent of necrosis and apoptosis in TCDD treatment groups was significantly larger than other groups; (P 0.05). However, the mean percent of cell death in co-administered group with TCDD and TNF-α was significantly lower than other groups; (P < 0.05). TNF-α could significantly inhibit effects of TCDD on lymphocytes apoptosis. Combination effects of TNF-α and TCDD on lymphocyte increase cell survival.

  11. Effect of competing ions and causticization on the ammonia adsorption by a novel poly ligand exchanger (PLE) ammonia adsorption reagent.

    Science.gov (United States)

    Chen, Quanzhou; Zhou, Kanggen; Hu, Yuanjuan; Liu, Fang; Wang, Aihe

    2017-03-01

    In this paper, a poly ligand exchanger, Cu(II)-loaded chelating resin named ammonia adsorption reagent (AMAR), bearing the functional group of weak iminodiacetate acid, was prepared to efficiently remove ammonia from solutions. Batch adsorption equilibrium experiments were conducted under a range of conditions. The effects of pH on the removal of ammonia by AMAR were investigated at 25 °C. The copper loaded on the resin forms a complex with NH 3 in solution under alkaline condition. The effect of alkaline dosage (AD) on the ammonia adsorption was investigated. The maximum breakthrough bed volumes were obtained when the AD was set as 0.75 mmol OH - /mL. The higher AD did not guarantee the better ammonia removal efficiency due to the forming of Cu(OH) 2 precipitate between OH - in solutions and Cu(II) on the resin. The effect of competing ions on the adsorption breakthrough curve of virgin AMAR and causticized AMAR was also investigated. The results demonstrated that the existence of competing ions had a negative impact on the adsorption capacity for both virgin AMAR and causticized AMAR. After causticization, the AMAR was more resistant to the competing ions comparing with virgin AMAR. The bivalent Ca 2+ affects the ammonia adsorption more than does the monovalent Na + .

  12. Evaluation the Effect of some Vegetable Oils on Pinoxaden (Axial® Efficacy in Little Canarygrass (Phalaris minor Retz. Control

    Directory of Open Access Journals (Sweden)

    M. Rastgoo

    2016-03-01

    Full Text Available Introduction: Adjuvants are used worldwide in order to improve the efficacy of foliage-applied pesticides and minimize the environmental damaging effects. It is generally agreed that there are two main ways by which adjuvants can enhance ultimate biological performance of herbicides. Initially, by increasing the amount of active ingredient retained by the target, and the second promoting their uptake. Materials and Methods: Therefore, a greenhouse experiment was conducted to detect a suitable adjuvant for pinoxaden herbicide against littleseed canarygrass. Experiment was done as factorial in completely randomized design with 12 replications in Research Greenhouse of Ferdowsi University of Mashhad in 1390. The treatments consisted herbicide factor in 6 levels (0, 2.81, 5.62, 11.25, 22.5 and 45 g a.i. h-1 and adjuvant at four levels (without adjuvant, coconut, sesame and almond oil as a vegetable oil at 0.5 percentages by volume (% v/v. Seeds treated by 98% sulfuric acid for a period of 6 minutes then were planted in trays that were filled with peat moss. Trays were irrigated daily. After emergence, seedlings were planted in pots. The spray treatment was done at three to four-leaf stage by using an overhead trolley sprayer (Matabi 121030 Super Agro 20 L sprayer; Agratech Services-Crop Spraying Equipment, Rossendale, UK, equipped with an 8002 flat fan nozzle tip delivering 200 L ha-1 at 2 bar spray pressure. Four weeks after spraying, the plants of the experimental units were harvested and oven-dried at 75°C for 48 h, then weighed. The greenhouse temperature varied from 18°C to 25 °C during the day and 14°C to 21°C at night. Results Discussion Analysis of variance indicated that usage of vegetable oils and pinoxaden herbicide affected littleseed canarygrass biomass significantly at 1%. The results of the average comparison also showed that with increasing of amount of herbicide littleseed canarygrass biomass decreased significantly. It seems

  13. Effects of increasing doses of samarium-153-ethylenediaminetetramethylene phosphonate on axial and appendicular skeletal growth in juvenile rabbits

    International Nuclear Information System (INIS)

    Essman, Stephanie C.; Lewis, Michael R.; Fox, Derek B.

    2008-01-01

    Introduction: Targeted radiotherapy using samarium-153-ethylenediaminetetramethylene phosphonate ( 153 Sm-EDTMP) is currently under investigation for treatment of osteosarcoma. Osteosarcoma often occurs in children, and previous studies on a juvenile rabbit model demonstrated that clinically significant damage to developing physeal cartilage may occur as a result of systemic 153 Sm-EDTMP therapy. The aim of this study was to evaluate the late effects of 153 Sm-EDTMP on skeletal structures during growth to maturity and to determine if there is a dose response of 153 Sm-EDTMP on growth of long bones. Methods: Female 8-week-old New Zealand white rabbits were divided into three treatment groups plus controls. Each rabbit was intravenously administered a predetermined dose of 153 Sm-EDTMP. Multiple bones of each rabbit were radiographed every 2 months until physeal closure, with subsequent measurements made to assess for abbreviated bone growth. Statistical analyses were performed to determine the differences in bone length between groups, with significance set at P 153 Sm-EDTMP. Further investigation regarding the effects of bone-seeking radiopharmaceuticals on bone growth and physeal cartilage is warranted

  14. CR4056, a new analgesic I2 ligand, is highly effective against bortezomib-induced painful neuropathy in rats

    Directory of Open Access Journals (Sweden)

    Meregalli C

    2012-06-01

    Full Text Available Cristina Meregalli,1 Cecilia Ceresa,1 Annalisa Canta,1 Valentina Alda Carozzi,1 Alessia Chiorazzi,1 Barbara Sala,1 Norberto Oggioni,1 Marco Lanza,2 Ornella Letar,i2 Flora Ferrari,2 Federica Avezza,1 Paola Marmiroli,1 GianFranco Caselli,2 Guido Cavaletti11Department of Neuroscience and Biomedical Technologies, University of Milan-Bicocca, 2Pharmacology and Toxicology Department, Rottapharm | Madaus Research Center, Monza, ItalyAbstract: Although bortezomib (BTZ is the frontline treatment for multiple myeloma, its clinical use is limited by the occurrence of painful peripheral neuropathy, whose treatment is still an unmet clinical need. Previous studies have shown chronic BTZ administration (0.20 mg/kg intravenously three times a week for 8 weeks to female Wistar rats induced a peripheral neuropathy similar to that observed in humans. In this animal model of BTZ-induced neurotoxicity, the present authors evaluated the efficacy of CR4056, a novel I2 ligand endowed with a remarkable efficacy in several animal pain models. CR4056 was administered in a wide range of doses (0.6–60 mg/kg by gavage every day for 2–3 weeks in comparison with buprenorphine (Bupre (28.8 µg/kg subcutaneously every day for 2 weeks and gabapentin (Gaba (100 mg/kg by gavage every day for 3 weeks. Chronic administration of BTZ reduced nerve conduction velocity and induced allodynia. CR4056, Bupre, or Gaba did not affect the impaired nerve conduction velocity. Conversely, CR4056 dose-dependently reversed BTZ-induced allodynia (minimum effective dose 0.6 mg/kg. The optimal dose found, 6 mg/kg, provided a constant pain relief throughout the treatment period and without rebound after suspension, being effective when coadministered with BTZ, starting before or after allodynia was established, or when administered alone after BTZ cessation. A certain degree of tolerance was seen after 7 days of administration, but only at the highest doses (20 and 60 mg/kg. Bupre was effective

  15. Effects of PPARγ ligands on TGF-β1-induced epithelial-mesenchymal transition in alveolar epithelial cells

    Directory of Open Access Journals (Sweden)

    Dagher Hayat

    2010-02-01

    Full Text Available Abstract Background Transforming growth factor β1 (TGF-β1-mediated epithelial mesenchymal transition (EMT of alveolar epithelial cells (AEC may contribute to lung fibrosis. Since PPARγ ligands have been shown to inhibit fibroblast activation by TGF-β1, we assessed the ability of the thiazolidinediones rosiglitazone (RGZ and ciglitazone (CGZ to regulate TGF-β1-mediated EMT of A549 cells, assessing changes in cell morphology, and expression of cell adhesion molecules E-cadherin (epithelial cell marker and N-cadherin (mesenchymal cell marker, and collagen 1α1 (COL1A1, CTGF and MMP-2 mRNA. Methods Serum-deprived A549 cells (human AEC cell line were pre-incubated with RGZ and CGZ (1 - 30 μM in the absence or presence of the PPARγ antagonist GW9662 (10 μM before TGFβ-1 (0.075-7.5 ng/ml treatment for up to 72 hrs. Changes in E-cadherin, N-cadherin and phosphorylated Smad2 and Smad3 levels were analysed by Western blot, and changes in mRNA levels including COL1A1 assessed by RT-PCR. Results TGFβ-1 (2.5 ng/ml-induced reductions in E-cadherin expression were associated with a loss of epithelial morphology and cell-cell contact. Concomitant increases in N-cadherin, MMP-2, CTGF and COL1A1 were evident in predominantly elongated fibroblast-like cells. Neither RGZ nor CGZ prevented TGFβ1-induced changes in cell morphology, and PPARγ-dependent inhibitory effects of both ligands on changes in E-cadherin were only evident at submaximal TGF-β1 (0.25 ng/ml. However, both RGZ and CGZ inhibited the marked elevation of N-cadherin and COL1A1 induced by TGF-β1 (2.5 ng/ml, with effects on COL1A1 prevented by GW9662. Phosphorylation of Smad2 and Smad3 by TGF-β1 was not inhibited by RGZ or CGZ. Conclusions RGZ and CGZ inhibited profibrotic changes in TGF-β1-stimulated A549 cells independently of inhibition of Smad phosphorylation. Their inhibitory effects on changes in collagen I and E-cadherin, but not N-cadherin or CTGF, appeared to be PPAR

  16. Final Activity Report: The Effects of Iron Complexing Ligands on the Long Term Ecosystem Response to Iron Enrichment of HNLC waters

    Energy Technology Data Exchange (ETDEWEB)

    Trick, Charles Gordon [Western University

    2013-07-30

    Substantial increases in the concentrations of the stronger of two Fe(III) complexing organic ligand classes measured during the mesoscale Fe enrichment studies IronEx II and SOIREE appeared to sharply curtailed Fe availability to diatoms and thus limited the efficiency of carbon sequestration to the deep. Detailed observations during IronEx II (equatorial Pacific Ocean) and SOIREE (Southern Ocean –Pacific sector) indicate that the diatoms began re-experiencing Fe stress even though dissolved Fe concentrations remained elevated in the patch. This surprising outcome likely is related to the observed increased concentrations of strong Fe(III)-complexing ligands in seawater. Preliminary findings from other studies indicate that diatoms may not readily obtain Fe from these chemical species whereas Fe bound by strong ligands appears to support growth of cyanobacteria and nanoflagellates. The difficulty in assessing the likelihood of these changes with in-situ mesoscale experiments is the extended monitoring period needed to capture the long-term trajectory of the carbon cycle. A more detailed understanding of Fe complexing ligand effects on long-term ecosystem structure and carbon cycling is essential to ascertain not only the effect of Fe enrichment on short-term carbon sequestration in the oceans, but also the potential effect of Fe enrichment in modifying ecosystem structure and trajectory.

  17. Effect of amino acid ligands on the structure of iron porphyrins and their ability to bind oxygen.

    Science.gov (United States)

    Berryman, Victoria E J; Baker, Matthew G; Boyd, Russell J

    2014-06-26

    Density functional theory is used to study a series of model iron porphyrins in the gas phase. In the first part of this study, three range-separated hybrid density functionals developed by Chai and Head-Gordon were assessed; ωB97, ωB97X, and ωB97XD. The effects of including full Hartree-Fock exchange at long-range and dispersion corrections are reported with respect to the geometries and binding energies of oxygen to the iron porphyrin systems. The functionals all correctly predict the quintet ground state for the deoxy-iron porphyrins, where typically hybrid functionals fail and predict a triplet ground state. Including dispersion in ωB97XD is shown to give the best results for the O2 binding energy and geometrical parameters. The second part of the study employs ωB97XD to study iron porphine systems with different amino acids in the axial position. Geometrical parameters are reported and compared to experimental data, where available. Binding energies of the systems with oxygen are also reported and discussed.

  18. Effects of increasing doses of samarium-153-ethylenediaminetetramethylene phosphonate on axial and appendicular skeletal growth in juvenile rabbits

    Energy Technology Data Exchange (ETDEWEB)

    Essman, Stephanie C. [Department of Veterinary Medicine and Surgery, College of Veterinary Medicine, University of Missouri-Columbia, Columbia, MO 65211 (United States)], E-mail: essmans@missouri.edu; Lewis, Michael R. [Department of Veterinary Medicine and Surgery, College of Veterinary Medicine, University of Missouri-Columbia, Columbia, MO 65211 (United States); Department of Radiology, University of Missouri-Columbia, Columbia, MO 65211 (United States); Nuclear Science and Engineering Institute, University of Missouri-Columbia, Columbia, MO 65211 (United States); Research Service, Harry S. Truman Memorial Veterans' Hospital, Columbia, MO 65201 (United States); Fox, Derek B. [Department of Veterinary Medicine and Surgery, College of Veterinary Medicine, University of Missouri-Columbia, Columbia, MO 65211 (United States)

    2008-02-15

    Introduction: Targeted radiotherapy using samarium-153-ethylenediaminetetramethylene phosphonate ({sup 153}Sm-EDTMP) is currently under investigation for treatment of osteosarcoma. Osteosarcoma often occurs in children, and previous studies on a juvenile rabbit model demonstrated that clinically significant damage to developing physeal cartilage may occur as a result of systemic {sup 153}Sm-EDTMP therapy. The aim of this study was to evaluate the late effects of {sup 153}Sm-EDTMP on skeletal structures during growth to maturity and to determine if there is a dose response of {sup 153}Sm-EDTMP on growth of long bones. Methods: Female 8-week-old New Zealand white rabbits were divided into three treatment groups plus controls. Each rabbit was intravenously administered a predetermined dose of {sup 153}Sm-EDTMP. Multiple bones of each rabbit were radiographed every 2 months until physeal closure, with subsequent measurements made to assess for abbreviated bone growth. Statistical analyses were performed to determine the differences in bone length between groups, with significance set at P<.05. Results: Significant differences in lengths of multiple bones were detected between the high-dose group and other treatment groups and controls at each time interval. A significant difference in lengths of the tibias was also noted in the medium-treatment group, compared to controls. Mean reduction of bone length was first detected at 4 months and did not increase significantly over time. Conclusions: These data suggest that clinically significant bone shortening may occur as a result of high-dosage administration of {sup 153}Sm-EDTMP. Further investigation regarding the effects of bone-seeking radiopharmaceuticals on bone growth and physeal cartilage is warranted.

  19. Imaging quality and effective radiation dose of prospective ECG-gated axial multidetector row computed tomography coronary angiography

    International Nuclear Information System (INIS)

    Capunay, C.; Carrascosa, P.; Vallejos, J.; Deviggiano, A.; Pollono, P.M.; Garcia, M.J.

    2011-01-01

    Objective. To determine the imaging quality and effective radiation dose (ERD) of prospective ECG-gated multidetector row computed tomography coronary angiography (PMDCTCA) compared to retrospective ECG-gating (RMDCT-CA). Materials and Methods. Forty-five PMDCT-CA scans were retrospectively reviewed for assessing imaging quality and ERD, and compared to 90 RMDCT-CA scans performed with (n=45) and without (n=45) tube current modulation, selected from our database on the basis of similar demographical characteristics. ERD was compared between all three groups. Imaging quality was assessed by two independent observers and compared to the imaging quality of the group of RMDCT-CA scans performed with tube current modulation. The interobserver variability was also determined. Results. There were no significant differences in imaging quality between the two groups. Interobserver variability was k=0.92 (95 % CI: 0.87-0.96). The ERD (mean ± SD) using PMDCT-CA was 2.88 ± 0.37 mSv compared to 10.50 ± 1.15 mSv (p [es

  20. Cytotoxic effects of 125I-labeled PBZr ligand PK 11195 in prostatic tumor cells: therapeutic implications

    International Nuclear Information System (INIS)

    Alenfall, J.; Kant, R.; Batra, S.

    1998-01-01

    The effect of [ 125 I]PK 11195 was examined in human prostatic tumor cells (DU 145) in culture and compared with Na[ 125 I] and non-radioactive PK 11195. [ 125 I]PK 11195 was clearly cytocidal. The data for dose-related cell survival with [ 125 I]PK 11195 showed a linear relationship. Na[ 125 I] or non-labeled PK 11195 at similar concentrations did not lead to any cell killing. The uptake of [ 125 I]PK 11195 and [ 3 H]PK 11195 in cells was very similar. Fragmentation of DNA measured by agarose gel electrophoresis showed that exposure of DU 145 cells to [ 125 I]PK 11195 for 1, 4 or 24 h caused no fragmentation. These results indicate that nuclear DNA is not the prime binding site for [ 125 I]PK 11195, which is consistent with the presence of specific peripheral benzodiazepine receptors (PBZr) in the mitochondria. The cell killing effect of [ 125 I]PK 11195 suggests the use of PBZr ligand for radiotherapy

  1. Effects of acute and chronic treatments with dopamine D2 and D3 receptor ligands on cocaine versus food choice in rats

    DEFF Research Database (Denmark)

    Thomsen, Morgane; Barrett, Andrew C.; Butler, Paul

    2017-01-01

    effects of dopamine D2- and D3-preferring ligands on choice between intravenous cocaine and palatable food in rats. Under baseline conditions, cocaine maintained dose-dependent increases in cocaine choice and reciprocal decreases in food choice. Acutely, the D2 agonist R-(2)-norpropylapomorphine (NPA......) and antagonist L-741,626 [3-[[4-(4-chlorophenyl)-4-hydroxypiperidin-lyl] methyl-1H-indole] produced leftward and rightward shifts in cocaine dose-effect curves, respectively, whereas the partial agonist terguride had no effect. All three drugs dose-dependently decreased food-maintained responding. Chronically......, the effects of R-(2)-norpropylapomorphine and L-741,626 on cocaine selfadministration showed marked tolerance, whereas suppression of food-reinforced behavior persisted. Acute effects of the D3 ligands were less systematic and most consistent with nonselective decreases in cocaine- and food-maintained...

  2. Involvement of the Retinoid X Receptor Ligand in the Anti-Inflammatory Effect Induced by Peroxisome Proliferator-Activated Receptor Agonist In Vivo

    Directory of Open Access Journals (Sweden)

    Atsuki Yamamoto

    2011-01-01

    Full Text Available Peroxisome proliferator-activated receptor γ (PPARγ forms a heterodimeric DNA-binding complex with retinoid X receptors (RXRs. It has been reported that the effect of the PPAR agonist is reduced in hepatocyte RXR-deficient mice. Therefore, it is suggested that the endogenous RXR ligand is involved in the PPARγ agonist-induced anti-inflammatory effect. However, the participation of the RXR ligand in the PPARγ-induced anti-inflammatory effect is unknown. Here, we investigated the influence of RXR antagonist on the anti-inflammatory effect of PPARγ agonist pioglitazone in carrageenan test. In addition, we also examined the influence of PPAR antagonist on the anti-inflammatory effect induced by RXR agonist NEt-3IP. The RXR antagonist suppressed the antiedema effect of PPARγ agonist. In addition, the anti-inflammatory effect of RXR agonist was suppressed by PPARγ antagonist. PPARγ agonist-induced anti-inflammatory effects were reversed by the RXR antagonist. Thus, we showed that the endogenous RXR ligand might contribute to the PPARγ agonist-induced anti-inflammatory effect.

  3. Effects of sigma(1) receptor ligand MS-377 on D(2) antagonists-induced behaviors.

    Science.gov (United States)

    Karasawa, Jun-ichi; Takahashi, Shinji; Takagi, Kaori; Horikomi, Kazutoshi

    2002-10-01

    (R)-(+)-1-(4-Chlorophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]methyl-2-pyrrolidinone L-tartrate (MS-377) is a novel antipsychotic agent with selective and high affinity for sigma(1) receptor. The present study was carried out to clarify the interaction of MS-377 with dopamine D(2) receptor antagonists (D(2) antagonists) in concurrent administration, and then the involvement of sigma receptors in the interaction. The effects of MS-377 on haloperidol- or sultopride-induced inhibition of apomorphine-induced climbing behavior and catalepsy were investigated in mice and rats, respectively. In addition, the effects of (+)-SKF-10,047 and SA4503, both of which are sigma receptor agonists, and WAY-100,635, which is a 5-HT(1A) receptor antagonist, on the interaction due to the concurrent use were also investigated. MS-377 potentiated the inhibitory effects of haloperidol or sultopride on apomorphine-induced climbing behavior in a dose-dependent manner. In contrast, MS-377 did not affect the catalepsy induction by these drugs. The potentiation of the inhibitory effects of haloperidol or sultopride on apomorphine-induced climbing behavior by MS-377 was not inhibited by WAY-100,635, but was inhibited by (+)-SKF-10,047 and SA4503. These findings showed that MS-377 potentiates the efficacy of D(2) antagonists, but it does not deteriorate the adverse effect. Moreover, sigma(1) receptors are involved in this potentiation of the efficacy of D(2) antagonists by MS-377.

  4. Resonance Raman detection of iron-ligand vibrations in cyano(pyridine)(octaethylporphinato)iron(III): Effects of pyridine basicity on the Fe-CN bond strength

    International Nuclear Information System (INIS)

    Uno, Tadayuki; Hatano, Keiichiro; Nishimura, Yoshifumi; Arata, Yoji

    1988-01-01

    The influence of axial ligand basicity on the bonding of iron(III) in cyano adducts of octaethylporphyrin has been studied by resonance Raman spectroscopy. In a six-coordinate ferric low-spin complex, cyano(pyridine)(octaethylporphinato)iron(III), Fe(OEP)(CN)(py), Raman lines at 449 and 191 cm -1 were assigned to the ν(Fe-CN) and ν(Fe-py) stretching modes, respectively. When pyridine was displaced with its derivatives, py-X, where X = 4-cyano, 3-acetyl, 3-methyl, 4-methyl, 3,4-dimethyl, and 4-dimethylamino, the ν(Fe-CN) stretching frequency was found to decrease in the complex with a high pyridine basicity. It was concluded that the stronger the trans pyridine basicity, the weaker the iron-carbon (cyanide) bond. A clear frequency shift was observed in the ν 4 model, though most of the porphyrin vibrations were insensitive to the ligand substitution. The frequency of the ν 4 mode, which is the C a -N(pyrrole) breathing vibration of the porphyrin skeleton, was found to increase with an increase in pyridine basicity. This is contrary to what was found in ferrous low-spin hemes as CO complexes. The ν 4 shift in the CN complexes was explained in terms of forward π donation; donation of electrons from the porphyrin π orbital to the d π vacancy of the low-spin iron(III) weakened the C a -N(pyrrole) bonds and hence decreased the ν 4 frequency. 32 references, 8 figures

  5. The effect of glycation on bovine serum albumin conformation and ligand binding properties with regard to gliclazide

    Science.gov (United States)

    Żurawska-Płaksej, Ewa; Rorbach-Dolata, Anna; Wiglusz, Katarzyna; Piwowar, Agnieszka

    2018-01-01

    may have a direct impact on the free drug fraction and its pharmacokinetic behavior, including the risk of hypoglycemic episodes or unexpected interactions with other ligands. The use of BSA in examining binding effects upon glycation seems to be good model for preliminary research and may be used to identify a potential drug response in a diabetic state.

  6. Effect of ionizing radiation on Ca2+-ATPase and Mg2+-ATPase: the role of ligands

    International Nuclear Information System (INIS)

    Dreval', V.I.

    1994-01-01

    The change of Ca 2+ -ATPase and Mg 2+ -ATPase activity in plasma membranes of thymocytes irradiated with doses of 10 2 , 10 3 and 10 4 Gy in the presence of Ca 2+ , Mg 2+ and ATP was studied. Stabilizing effect of Ca 2+ and Mg 2+ on Ca 2+ -ATPase and ATP on Mg 2+ -ATPase under irradiation was established

  7. Effects of Acute and Chronic Treatments with Dopamine D2 and D3 Receptor Ligands on Cocaine versus Food Choice in Rats.

    Science.gov (United States)

    Thomsen, Morgane; Barrett, Andrew C; Butler, Paul; Negus, S Stevens; Caine, S Barak

    2017-07-01

    Dopamine D 3 receptor ligands are potential medications for psychostimulant addiction. Medication assessment may benefit from preclinical studies that evaluate chronic medication effects on choice between an abused drug and an alternative, nondrug reinforcer. This study compared acute and chronic effects of dopamine D 2 - and D 3 -preferring ligands on choice between intravenous cocaine and palatable food in rats. Under baseline conditions, cocaine maintained dose-dependent increases in cocaine choice and reciprocal decreases in food choice. Acutely, the D 2 agonist R -(-)-norpropylapomorphine (NPA) and antagonist L-741,626 [3-[[4-(4-chlorophenyl)-4-hydroxypiperidin-l-yl]methyl-1 H -indole] produced leftward and rightward shifts in cocaine dose-effect curves, respectively, whereas the partial agonist terguride had no effect. All three drugs dose-dependently decreased food-maintained responding. Chronically, the effects of R -(-)-norpropylapomorphine and L-741,626 on cocaine self-administration showed marked tolerance, whereas suppression of food-reinforced behavior persisted. Acute effects of the D 3 ligands were less systematic and most consistent with nonselective decreases in cocaine- and food-maintained responding. Chronically, the D 3 agonist PF-592,379 [5-[(2 R ,5 S )-5-methyl-4-propylmorpholin-2-yl]pyridin-2-amine] increased cocaine choice, whereas an intermediate dose of the D 3 antagonist PG01037 [ N -[( E )-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide] produced a therapeutically desirable decrease in cocaine choice early in treatment; however, tolerance to this effect developed, and lower and higher doses were ineffective. D 3 ligands failed to significantly modify total cocaine intake but caused persistent decreases in food intake. Thus, D 2 -and D 3 -preferring ligands showed distinct profiles, consistent with different pharmacological actions. In addition, these results highlight the role of acute versus chronic treatment

  8. Synthesis, physicochemical studies and biological evaluation of unimetallic and heterobimetallic complexes of hexadentate dihydrazone ligands

    Directory of Open Access Journals (Sweden)

    Fathy A. El Saied

    2017-03-01

    Full Text Available A new coordination unimetallic and heterobimetallic complexes of hexadentate N2O4 donor dihydrazone ligands were prepared by the condensation of 4-formyl antipyrine with adipic dihydrazide and succinic dihydrazide. The ligands (1 and (11 and their complexes thoroughly characterized using various analytical, physical and spectroscopic techniques, which indicate a distorted octahedral geometry around the metal ions. The ESR spectra of solid copper(II complexes (2–4 and (12–14 showed axial symmetry with g||>g⊥ > ge, indicating distorted octahedral structure and the presence of the unpaired electron in a d(x2−y2 orbital with significant covalent bond character. The antimicrobial activity results of the metal compounds (2–5, (7, (10, (12–15 and (17 show that, all these complexes exhibit inhibitory moderate to mild effects towards Bacillus subtilis, Escherichia coli and Aspergillus niger.

  9. The operator technique in the theory of the rare earth ion interaction with ligand nuclei

    International Nuclear Information System (INIS)

    Anikeenok, O.A.; Eremin, M.V.; Khutsishvili, O.G.

    1986-01-01

    The tensor structure of the operator of rare earth ion interaction with nuclei of close ligands conditioned by virtual processes of charge transport is established. It is taken into account that virtual processes of electron transport from the ligand can take place to the non-filled 4f-, void 5d- and 6s- and preliminarily excited 5p-shells of the rare earth ion. Effects of 4f- and 5d-state mixing by the odd crystal field are considered for the first time. In contrast to the usual multipole-dipole interaction the given one is characterized by anomalously greater significance of highest multipole momenta of the rare earth ion and in the common case it does not have axial symmetry. The theory is compared with data on double electron-nuclear resonance and radiofrequency discrete saturation, taking CaF 2 :Ce 3+ impurity centers as an example

  10. Effect of Ligand Molecular Weight and Nanoparticle Core Size on Polymer-Coated Gold Nanoparticle Location in Block Copolymers

    Science.gov (United States)

    Petrie, Joshua; Kim, Bumjoon; Fredrickson, Glenn; Kramer, Ed

    2008-03-01

    Gold nanoparticles modified by short chain polymer thiols [Au-PS] can be designed to strongly localize in either domain of a polystyrene-b-poly(2-vinylpyridine) [PS-PVP] block copolymer or at the interface. The P2VP block has a stronger attractive interaction with bare gold than the PS block. Thus, when the areal chain density σ of end-attached PS chains falls below a critical areal chain density σc the Au-PS nanoparticles adsorb to the PS-b-P2VP interface. The effect of the polymer ligand molecular weight on the σchas been shown to scale as σc˜ ((R+Rg)/(R*Rg))̂2, where R is the curvature of the Au nanoparticle core radius. To test this scaling relation for σc further we are synthesizing gold nanoparticles with different core radii and will present preliminary results on σcas a function of R.

  11. Effects of ligand functionalization on the photocatalytic properties of titanium-based MOF: A density functional theory study

    Science.gov (United States)

    Li, Yi; Fu, Yuqing; Ni, Bilian; Ding, Kaining; Chen, Wenkai; Wu, Kechen; Huang, Xin; Zhang, Yongfan

    2018-03-01

    The first principle calculations have been performed to investigate the geometries, band structures and optical absorptions of a series of MIL-125 MOFs, in which the 1,4-benzenedicarboxylate (BDC) linkers are modified by different types and amounts of chemical groups, including NH2, OH, and NO2. Our results indicate that new energy bands will appear in the band gap of pristine MIL-125 after introducing new group into BDC linker, but the components of these band gap states and the valence band edge position are sensitive to the type of functional group as well as the corresponding amount. Especially, only the incorporation of amino group can obviously decrease the band gap of MIL-125, and the further reduction of the band gap can be observed if the amount of NH2 is increased. Although MIL-125 functionalized by NH2 group exhibits relatively weak or no activity for the photocatalytic O2 evolution by splitting water, such ligand modification can effectively improve the efficiency in H2 production because now the optical absorption in the visible light region is significantly enhanced. Furthermore, the adsorption of water molecule becomes more favorable after introducing of amino group, which is also beneficial for the water-splitting reaction. The present study can provide theoretical insights to design new photocatalysts based on MIL-125.

  12. Further Insight into the Lability of MeCN Ligands of Cytotoxic Cycloruthenated Compounds: Evidence for the Antisymbiotic Effect Trans to the Carbon Atom at the Ru Center.

    Science.gov (United States)

    Barbosa, Ana Soraya Lima; Werlé, Christophe; Colunga, Claudia Olivia Oliva; Rodríguez, Cecilia Franco; Toscano, Ruben Alfredo; Le Lagadec, Ronan; Pfeffer, Michel

    2015-08-03

    The two MeCN ligands in [Ru(2-C6H4-2'-Py-κC,N)(Phen, trans-C)(MeCN)2]PF6 (1), both trans to a sp(2) hybridized N atom, cannot be substituted by any other ligand. In contrast, the isomerized derivative [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(MeCN)2]PF6 (2), in which one MeCN ligand is now trans to the C atom of the phenyl ring orthometalated to Ru, leads to fast and quantitative substitution reactions with several monodentate ligands. With PPh3, 2 affords [Ru(2-C6H4-2'-Py-κC,N)(Phen, cis-C)(PPh3)(MeCN)]PF6 (3), in which PPh3 is trans to the C σ bound to Ru. Compound 3 is not kinetically stable, because, under thermodynamic control, it leads to 4, in which the PPh3 is trans to a N atom of the Phen ligand. Dimethylsulfoxide (DMSO) can also substitute a MeCN ligand in 2, leading to 5, in which DMSO is coordinated to Ru via its S atom trans to the N atom of the Phen ligand, the isomer under thermodynamic control being the only compound observed. We also found evidence for the fast to very fast substitution of MeCN in 2 by water or a chloride anion by studying the electronic spectra of 2 in the presence of water or NBu4Cl, respectively. An isomerization related to that observed between 3 and 4 is also found for the known monophosphine derivative [Ru(2-C6H4-2'-Py-κC,N)(PPh3, trans-C)(MeCN)3]PF6 (10), in which the PPh3 is located trans to the C of the cyclometalated 2-phenylpyridine, since, upon treatment by refluxing MeCN, it leads to its isomer 11, [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(MeCN)3]PF6. Further substitutions are also observed on 11, whereby N^N chelates (N^N = 2,2'-bipyridine and phenanthroline) substitute two MeCN ligands, affording [Ru(2-C6H4-2'-Py-κC,N)(PPh3, cis-C)(N^N)(MeCN)]PF6 (12a and 12b). Altogether, the behavior of the obtained complexes by ligand substitution reactions can be rationalized by an antisymbiotic effect on the Ru center, trans to the C atom of the cyclometalated unit, leading to compounds having the least nucleophilic ligand trans to C

  13. Measurement of Effect of Chemical Reactions on the Hydrologic Properties of Fractured Glass Media Using a Tri-axial Flow and Transport Apparatus

    International Nuclear Information System (INIS)

    Saripalli, Prasad; Lindberg, Michael J.; Meyer, P. D.

    2006-01-01

    Understanding the effect of chemical reactions on the hydrologic properties of sub-surface media is critical to many natural and engineered sub-surface systems. Methods and information for such characterization of fractured media are severely lacking. Influence of glass corrosion (precipitation and dissolution) reactions on fractured glass blocks HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted in such randomly and multiply fractured ILAW glass blocks, before and after subjecting them to corrosion using Vapor Hydration Testing (VHT) at 200 C temperature and 200 psig (1379 KPa) pressure, causing the precipitation of alteration products. A tri-axial fractured media flow and transport experimental apparatus, which allows the simultaneous measurement of flow and transport properties and their anisotropy, has been designed and built for this purpose. Such apparatus for fractured media characterization are being reported in the literature only recently. Hydraulic properties of fractured blocks were measured in different orientations and along different cardinal directions, before and after glass corrosion reactions. Miscible displacement experiments using a non-reactive dye were also conducted, before and after glass corrosion reactions, to study the tracer transport behavior through such media. Initial efforts to analyze breakthrough curve (BTC) data using a 1D Advection Dispersion Equation (ADE) solution revealed that a different fractured media transport model may be necessary for such interpretation. It was found that glass reactions can have a significant influence on the hydrologic properties of fractured ILAW glass media. The methods and results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured geomedia in general and glass media in

  14. Characterization of Multiflux Axial Compressors

    International Nuclear Information System (INIS)

    Brasnarof, Daniel; Kyung Kyu-Hyung; Rivarola, Martin; Gonzalez Jose; Florido, Pablo; Orellano, Pablo; Bergallo, Juan

    2003-01-01

    In the present work the results of analytical models of performance are compared with experimental data acquired in the multi flux axial compressor test facility, built in The Pilcaniyeu Technological Complex for the SIGMA project.We describe the experimental circuit and the data of the dispersion inside the axial compressor obtained using a tracer gas through one of the annular inlets.The attained results can be used to validate the design code for the multi flux axial compressors and SIGMA industrial plant

  15. Axial gap rotating electrical machine

    Science.gov (United States)

    None

    2016-02-23

    Direct drive rotating electrical machines with axial air gaps are disclosed. In these machines, a rotor ring and stator ring define an axial air gap between them. Sets of gap-maintaining rolling supports bear between the rotor ring and the stator ring at their peripheries to maintain the axial air gap. Also disclosed are wind turbines using these generators, and structures and methods for mounting direct drive rotating electrical generators to the hubs of wind turbines. In particular, the rotor ring of the generator may be carried directly by the hub of a wind turbine to rotate relative to a shaft without being mounted directly to the shaft.

  16. Effect of ligand activation of peroxisome proliferator-activated receptor-β/δ (PPARβ/δ) in human lung cancer cell lines

    International Nuclear Information System (INIS)

    He Pengfei; Borland, Michael G.; Zhu Bokai; Sharma, Arun K.; Amin, Shantu; El-Bayoumy, Karam; Gonzalez, Frank J.; Peters, Jeffrey M.

    2008-01-01

    There is compelling evidence that peroxisome proliferator-activated receptor-β/δ (PPARβ/δ) mediates terminal differentiation and is associated with inhibition of cell growth. However, it was recently suggested that growth of two human lung cancer cell lines is enhanced by PPARβ/δ. The goal of the present study was to provide insight in resolving this controversy. Therefore, the effect of ligand activation of PPARβ/δ in A549 and H1838 human lung cancer cell lines was examined using two high affinity PPARβ/δ ligands. Ligand activation of PPARβ/δ caused up-regulation of a known PPARβ/δ target gene, angiopoietin-like 4 (Angptl4) but did not influence expression of phosphatase and tensin homolog (PTEN) or phosphorylation of protein kinase B (Akt), and did not affect cell growth. Results from this study demonstrate that two human lung cancer cell lines respond to ligand activation of PPARβ/δ by modulation of target gene expression (Angptl4), but fail to exhibit significant modulation of cell proliferation

  17. Evaluation of an intranasal virosomal vaccine against respiratory syncytial virus in mice: effect of TLR2 and NOD2 ligands on induction of systemic and mucosal immune responses.

    Directory of Open Access Journals (Sweden)

    Muhammad Shafique

    Full Text Available INTRODUCTION: RSV infection remains a serious threat to newborns and the elderly. Currently, there is no vaccine available to prevent RSV infection. A mucosal RSV vaccine would be attractive as it could induce mucosal as well as systemic antibodies, capable of protecting both the upper and lower respiratory tract. Previously, we reported on a virosomal RSV vaccine for intramuscular injection with intrinsic adjuvant properties mediated by an incorporated lipophilic Toll-like receptor 2 (TLR2 ligand. However, it has not been investigated whether this virosomal RSV vaccine candidate would be suitable for use in mucosal immunization strategies and if additional incorporation of other innate receptor ligands, like NOD2-ligand, could further enhance the immunogenicity and protective efficacy of the vaccine. OBJECTIVE: To explore if intranasal (IN immunization with a virosomal RSV vaccine, supplemented with TLR2 and/or NOD2-ligands, is an effective strategy to induce RSV-specific immunity. METHODS: We produced RSV-virosomes carrying TLR2 (Pam3CSK4 and/or NOD2 (L18-MDP ligands. We tested the immunopotentiating properties of these virosomes in vitro, using TLR2- and/or NOD2-ligand-responsive murine and human cell lines, and in vivo by assessing induction of protective antibody and cellular responses upon IN immunization of BALB/c mice. RESULTS: Incorporation of Pam3CSK4 and/or L18-MDP potentiates the capacity of virosomes to activate (antigen-presenting cells in vitro, as demonstrated by NF-κB induction. In vivo, incorporation of Pam3CSK4 in virosomes boosted serum IgG antibody responses and mucosal antibody responses after IN immunization. While L18-MDP alone was ineffective, incorporation of L18-MDP in Pam3CSK4-carrying virosomes further boosted mucosal antibody responses. Finally, IN immunization with adjuvanted virosomes, particularly Pam3CSK4/L18-MDP-adjuvanted-virosomes, protected mice against infection with RSV, without priming for enhanced

  18. Nudging oligodendrocyte intrinsic signaling to remyelinate and repair: Estrogen receptor ligand effects.

    Science.gov (United States)

    Khalaj, Anna J; Hasselmann, Jonathan; Augello, Catherine; Moore, Spencer; Tiwari-Woodruff, Seema K

    2016-06-01

    Demyelination in multiple sclerosis (MS) leads to significant, progressive axonal and neuronal degeneration. Currently existing immunosuppressive and immunomodulatory therapies alleviate MS symptoms and slow, but fail to prevent or reverse, disease progression. Restoration of damaged myelin sheath by replenishment of mature oligodendrocytes (OLs) should not only restore saltatory axon conduction, but also provide a major boost to axon survival. Our previous work has shown that therapeutic treatment with the modestly selective generic estrogen receptor (ER) β agonist diarylpropionitrile (DPN) confers functional neuroprotection in a chronic experimental autoimmune encephalomyelitis (EAE) mouse model of MS by stimulating endogenous remyelination. Recently, we found that the more potent, selective ERβ agonist indazole-chloride (Ind-Cl) improves clinical disease and motor performance. Importantly, electrophysiological measures revealed improved corpus callosal conduction and reduced axon refractoriness. This Ind-Cl treatment-induced functional remyelination was attributable to increased OL progenitor cell (OPC) and mature OL numbers. At the intracellular signaling level, transition of early to late OPCs requires ERK1/2 signaling, and transition of immature to mature OLs requires mTOR signaling; thus, the PI3K/Akt/mTOR pathway plays a major role in the late stages of OL differentiation and myelination. Indeed, therapeutic treatment of EAE mice with various ERβ agonists results in increased brain-derived neurotrophic factor (BDNF) and phosphorylated (p) Akt and p-mTOR levels. It is notable that while DPN's neuroprotective effects occur in the presence of peripheral and central inflammation, Ind-Cl is directly neuroprotective, as demonstrated by remyelination effects in the cuprizone-induced demyelination model, as well as immunomodulatory. Elucidating the mechanisms by which ER agonists and other directly remyelinating agents modulate endogenous OPC and OL regulatory

  19. Multifaceted effects of synthetic TLR2 ligand and Legionella pneumophilia on Treg-mediated suppression of T cell activation

    Directory of Open Access Journals (Sweden)

    Sutmuller Roger PM

    2011-03-01

    Full Text Available Abstract Background Regulatory T cells (Treg play a crucial role in maintaining immune homeostasis and self-tolerance. The immune suppressive effects of Tregs should however be limited in case effective immunity is required against pathogens or cancer cells. We previously found that the Toll-like receptor 2 (TLR2 agonist, Pam3CysSK4, directly stimulated Tregs to expand and temporarily abrogate their suppressive capabilities. In this study, we evaluate the effect of Pam3CysSK4 and Legionella pneumophila, a natural TLR2 containing infectious agent, on effector T (Teff cells and dendritic cells (DCs individually and in co-cultures with Tregs. Results TLR2 agonists can directly provide a co-stimulatory signal inducing enhanced proliferation and cytokine production of naive CD4+ Teff cells. With respect to cytokine production, DCs appear to be most sensitive to low amounts of TLR agonists. Using wild type and TLR2-deficient cells in Treg suppression assays, we accordingly show that all cells (e.g. Treg, Teff cells and DCs contributed to overcome Treg-mediated suppression of Teff cell proliferation. Furthermore, while TLR2-stimulated Tregs readily lost their ability to suppress Teff cell proliferation, cytokine production by Teff cells was still suppressed. Similar results were obtained upon stimulation with TLR2 ligand containing bacteria, Legionella pneumophila. Conclusions These findings indicate that both synthetic and natural TLR2 agonists affect DCs, Teff cells and Treg directly, resulting in multi-modal modulation of Treg-mediated suppression of Teff cells. Moreover, Treg-mediated suppression of Teff cell proliferation is functionally distinct from suppression of cytokine secretion.

  20. Development of effective tumor immunotherapy using a novel dendritic cell-targeting Toll-like receptor ligand.

    Directory of Open Access Journals (Sweden)

    Nadeeka H De Silva

    Full Text Available Although dendritic cell (DC-based immunotherapy shows little toxicity, improvements should be necessary to obtain satisfactory clinical outcome. Using interferon-gamma injection along with DCs, we previously obtained significant clinical responses against small or early stage malignant tumors in dogs. However, improvement was necessary to be effective to largely developed or metastatic tumors. To obtain effective methods applicable to those tumors, we herein used a DC-targeting Toll-like receptor ligand, h11c, and examined the therapeutic effects in murine subcutaneous and visceral tumor models and also in the clinical treatment of canine cancers. In murine experiments, most and significant inhibition of tumor growth and extended survival was observed in the group treated with the combination of h11c-activated DCs in combination with interferon-gamma and a cyclooxygenase2 inhibitor. Both monocytic and granulocytic myeloid-derived suppressor cells were significantly reduced by the combined treatment. Following the successful results in mice, the combined treatment was examined against canine cancers, which spontaneously generated like as those in human. The combined treatment elicited significant clinical responses against a nonepithelial malignant tumor and a malignant fibrous histiocytoma. The treatment was also successful against a bone-metastasis of squamous cell carcinoma. In the successful cases, the marked increase of tumor-responding T cells and decrease of myeloid-derived suppressor cells and regulatory T cells was observed in their peripheral blood. Although the combined treatment permitted the growth of lung cancer of renal carcinoma-metastasis, the marked elevated and long-term maintaining of the tumor-responding T cells was observed in the patient dog. Overall, the combined treatment gave rise to emphatic amelioration in DC-based cancer therapy.

  1. Reduction of dinitrogen ligands

    International Nuclear Information System (INIS)

    Richards, R.L.

    1983-01-01

    Processes of dinitrogen ligand reduction in complexes of transition metals are considered. The basic character of the dinitrogen ligand is underlined. Data on X-ray photoelectronic spectroscopy and intensities of bands ν (N 2 ) in IR-spectra of nitrogen complexes are given. The mechanism of protonation of an edge dinitrogen ligand is discussed. Model systems and mechanism of nitrogenogenase are compared

  2. Impact of Cannabinoid Receptor Ligands on Sensitisation to Methamphetamine Effects on Rat Locomotor Behaviour

    Directory of Open Access Journals (Sweden)

    L. Landa

    2008-01-01

    Full Text Available The repeated administration of various drugs of abuse may lead to a gradually increased behavioural response to these substances, particularly an increase in locomotion and stereotypies may occur. This phenomenon is well known and described as behavioural sensitisation. An increased response to the drug tested, elicited by previous repeated administration of another drug is recognised as cross-sensitisation. Based on our earlier experiences with studies on mice, which confirmed sensitisation to methamphetamine and described cross-sensitisation to methamphetamine after pre-treatment with cannabinoid CB1 receptor agonist, we focused the present study on the use of another typical laboratory animal - the rat. A biological validity of the sensitisation phenomenon was expected to be enhanced if the results of both mouse and rat studies were conformable. Similar investigation in rats brought very similar results to those described earlier in mice. However, at least some interspecies differences were noted in the rat susceptibility to the development of sensitisation to methamphetamine effects. Comparing to mice, it was more demanding to titrate a dose of methamphetamine producing behavioural sensitisation. Furthermore, we were not able to provoke cross-sensitisation by repeated administration of cannabinoid CB1 receptor agonist methanandamide and similarly, we did not demonstrate the suppression of cross-sensitisation in rats that were repeatedly given combined pre-treatment with cannabinoid CB1 receptor antagonist AM 251 and methamphetamine. Finally, unlike mice, an alternative behavioural change was registered after repeated methamphetamine treatment instead: the occurrence of stereotypic behaviour (nose rubbing.

  3. Effect of forearm axially rotated posture on shoulder load and shoulder abduction / flexion angles in one-armed arrest of forward falls.

    Science.gov (United States)

    Hsu, Hsiu-Hao; Chou, You-Li; Lou, Shu-Zon; Huang, Ming-Jer; Chou, Paul Pei-Hsi

    2011-03-01

    Falling onto the outstretched hand is the most common cause of upper extremity injury. This study develops an experimental model for evaluating the shoulder load during a simulated forward fall onto one hand with three different forearm axially rotated postures, and examines the shoulder abduction angle and shoulder flexion angle in each case. Fifteen healthy young male subjects with an average age of 23.7 years performed a series of one-armed arrests from a height of 5 cm onto a force plate. The kinematics and kinetics of the upper extremity were analyzed for three different forearm postures, namely 45° externally rotated, non-rotated, and 45° internally rotated. The shoulder joint load and shoulder abduction/flexion angles were significantly dependent on the rotational posture of the forearm. The shoulder medio-lateral shear forces in the externally rotated group were found to be 1.61 and 2.94 times higher than those in the non-rotated and internally rotated groups, respectively. The shoulder flexion angles in the externally rotated, non-rotated and internally rotated groups were 0.6°, 8.0° and 19.2°, respectively, while the corresponding shoulder abduction angles were 6.1°, 34.1° and 46.3°, respectively. In falls onto the outstretched hand, an externally rotated forearm posture should be avoided in order to reduce the medio-lateral shear force acting on the shoulder joint. In falls of this type, a 45° internally rotated forearm posture represents the most effective fall strategy in terms of minimizing the risk of upper extremity injuries. Copyright © 2010 Elsevier Ltd. All rights reserved.

  4. Ligand-Doped Copper Oxo-hydroxide Nanoparticles are Effective Antimicrobials

    Science.gov (United States)

    Bastos, Carlos A. P.; Faria, Nuno; Ivask, Angela; Bondarenko, Olesja M.; Kahru, Anne; Powell, Jonathan

    2018-04-01

    Bacterial resistance to antimicrobial therapies is an increasing clinical problem. This is as true for topical applications as it is for systemic therapy. Topically, copper ions may be effective and cheap antimicrobials that act through multiple pathways thereby limiting opportunities to bacteria for resistance. However, the chemistry of copper does not lend itself to facile formulations that will readily release copper ions at biologically compatible pHs. Here, we have developed nanoparticulate copper hydroxide adipate tartrate (CHAT) as a cheap, safe, and readily synthesised material that should enable antimicrobial copper ion release in an infected wound environment. First, we synthesised CHAT and showed that this had disperse aquated particle sizes of 2-5 nm and a mean zeta potential of - 40 mV. Next, when diluted into bacterial medium, CHAT demonstrated similar efficacy to copper chloride against Escherichia coli and Staphylococcus aureus, with dose-dependent activity occurring mostly around 12.5-50 mg/L of copper. Indeed, at these levels, CHAT very rapidly dissolved and, as confirmed by a bacterial copper biosensor, showed identical intracellular loading to copper ions derived from copper chloride. However, when formulated at 250 mg/L in a topically applied matrix, namely hydroxyethyl cellulose, the benefit of CHAT over copper chloride was apparent. The former yielded rapid sustained release of copper within the bactericidal range, but the copper chloride, which formed insoluble precipitates at such concentration and pH, achieved a maximum release of 10 ± 7 mg/L copper by 24 h. We provide a practical formulation for topical copper-based antimicrobial therapy. Further studies, especially in vivo, are merited.

  5. Adsorption behavior of optical brightening agent on microfibrillated cellulose studied through inverse liquid chromatography: The need to correct for axial dispersion effect.

    Science.gov (United States)

    Serroukh, Sonia; Huber, Patrick; Lallam, Abdelaziz

    2018-01-19

    Inverse liquid chromatography is a technique for studying solid/liquid interaction and most specifically for the determination of solute adsorption isotherm. For the first time, the adsorption behaviour of microfibrillated cellulose was assessed using inverse liquid chromatography. We showed that microfibrillated cellulose could adsorb 17 mg/g of tetrasulfonated optical brightening agent in typical papermaking conditions. The adsorbed amount of hexasulfonated optical brightening agent was lower (7 mg/g). The packing of the column with microfibrillated cellulose caused important axial dispersion (D a  = 5e-7 m²/s). Simulation of transport phenomena in the column showed that neglecting axial dispersion in the analysis of the chromatogram caused significant error (8%) in the determination of maximum adsorbed amount. We showed that conventional chromatogram analysis technique such as elution by characteristic point could not be used to fit our data. Using a bi-Langmuir isotherm model improved the fitting, but did not take into account axial dispersion, thus provided adsorption parameters which may have no physical significance. Using an inverse method with a single Langmuir isotherm, and fitting the transport equation to the chromatogram was shown to provide a satisfactory fitting to the chromatogram data. In general, the inverse method could be recommended to analyse inverse liquid chromatography data for column packing with significant axial dispersion (D a   > 1e-7 m²/s). Copyright © 2017 Elsevier B.V. All rights reserved.

  6. A new strategy of axial power distribution control based on three axial offsets concept

    International Nuclear Information System (INIS)

    Shimazu, Yoichiro

    2009-01-01

    We have proposed a very simple control procedure for axial xenon oscillation control based on a characteristic trajectory. The trajectory is drawn by three offsets of power distributions, namely, AOp, AOi and AOx. They are defined as the offset of axial power distribution, the offset of the power distribution under which the current iodine distribution is obtained as the equilibrium and that for xenon distribution, respectively. When these offsets are plotted on X-Y plane for (AOp-AOx, AOi-AOx) the trajectory draws a quite characteristic ellipse (or an elliptic spiral). On the other hands, Constant Axial Offset Control (CAOC) procedure is adopted as axial power distribution control strategy during both base load and load following operations in domestic PWRs. In the previous paper, we have presented an innovative procedure of axial power distribution control during load following in PWRs based on this trajectory such that the AOp-AOx is to be controlled to zero when the value deviates the pre-determined limiting values. In this paper we propose a modified control strategy to get more stability of axial power distributions. In this strategy, we control the trajectory to be close to the major axis of the ellipse when the power distribution reaches the limiting values. In other words, the plot is not controlled only to reduce AOp-AOx but also AOi-AOx is taken into account at the same time. It is known that when the plot is controlled to the major axis, it means that the point gives the peak position of axial xenon oscillation. Therefore xenon oscillation will not increase its amplitude any more. Thus more stable axial power distribution control is attained. This kind of design concept is quite important especially for the future PWRs with elongated fuel length and longer core life. Because in a longer effective core and also the longer core life, it has been known that the stability of axial xenon oscillation becomes more unstable. In this paper, some simulation

  7. Ligand field and interference effects in L-edge X-ray Raman scattering of MnF{sub 2} and CoF{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez M, J.; Herrera P, G. M.; Olalde V, P. [Instituto de Ciencias Nucleares, UNAM, Ciudad Universitaria, 04510 Mexico D. F. (Mexico); Ederer, D. L.; Schuler, T. [Department of Physics, Tulane University, New Orleans, LA 70118 (United States)

    2008-02-15

    We present experimental results for x-ray absorption and resonant emission at the L-edge of the transition metal in MnF{sub 2} and CoF{sub 2}. The emission data are corrected for self-absorption. The data are compared with calculations in both the free-ion approximation and with the effect of the ligand field of D{sub 4h} symmetry included. The results of the calculations take into account interference terms in the Kramers-Heisenberg expression. We obtain very good agreement between experiment and theory for both x-ray absorption and resonant emission in the two compounds. The inclusion of the ligand field is important to achieve such agreement. However, the results of the calculation that does not take into account the interference terms are in better agreement with experiment, indicating that the model used probably overestimates the importance of interference effects. (Author)

  8. Ligands in PSI structures

    International Nuclear Information System (INIS)

    Kumar, Abhinav; Chiu, Hsiu-Ju; Axelrod, Herbert L.; Morse, Andrew; Elsliger, Marc-André; Wilson, Ian A.; Deacon, Ashley

    2010-01-01

    A survey of the types and frequency of ligands that are bound to PSI structures is analyzed as well as their utility in functional annotation of previously uncharacterized proteins. Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a survey of the types, variety and frequency of ligands that are observed in the PSI structures is also compiled and analyzed, including illustrations of how these bound ligands have provided functional clues for annotation of proteins with little or no previous experimental characterization. Furthermore, a web server was developed as a tool to mine and analyze the PSI structures for bound ligands and other identifying features

  9. Bexarotene ligand pharmaceuticals.

    Science.gov (United States)

    Hurst, R E

    2000-12-01

    target rates; side effects were primarily limited to local skin reactions [349982]. Ligand has worldwide rights to market bexarotene capsules, and will market the drug in the US, Canada and selected European markets. In Spain, Portugal, Greece and Central and South America, Ferrer Internacional will market and distribute the drug. As of December 1999, Ligand was seeking additional distribution partners for select European and Asian markets [351604]. In January 2000, Alfa Wassermann signed an agreement with Ligand to exclusively market and distribute Targretin gel and capsules in Italy. Alfa paid US $0.75 million on signing with additional amounts up to an aggregate total of US $1.0 million on achievement of certain registration milestones, which are expected to be met in 2000 [351882].

  10. Effect of Ligand Field Tuning on the SMM Behavior for Three Related Alkoxide-Bridged Dysprosium Dimers.

    Science.gov (United States)

    Peng, Yan; Mereacre, Valeriu; Baniodeh, Amer; Lan, Yanhua; Schlageter, Martin; Kostakis, George E; Powell, Annie K

    2016-01-04

    The synthesis and characterization of three Dy2 compounds, [Dy2(HL1)2(NO3)4] (1), [Dy2(L2)2(NO3)4] (2), and [Dy2(HL3)2(NO3)4] (3), formed using related tripodal ligands with a central tertiary amine bearing picolyl and alkoxy arms, 2-[(2-hydroxy-ethyl)-pyridin-2-ylmethylamino]-ethanol (H2L1), 2-(bis-pyridin-2-ylmethylamino)-ethanol (HL2), and 2-(bis-pyridin-2-ylmethylamino)-propane-1,3-diol (H2L3), are reported. The compounds are rare examples of alkoxide-bridged {Dy2} complexes and display capped square antiprism coordination geometry around each Dy(III) ion. Changes in the ligand field environment around the Dy(III) ions brought about through variations in the ligand donors can be gauged from the magnetic properties, with compounds 1 and 2 showing antiparallel coupling between the Dy(III) ions and 3 showing parallel coupling. Furthermore, slow relaxation of the magnetization typical of SMM behavior could be observed for compounds 2 and 3, suggesting that small variations in the ligand field can have a significant influence on the slow relaxation processes responsible for SMM behavior of Dy(III)-based systems.

  11. The thermodynamic effects of ligand structure on the molecular recognition of mononuclear ruthenium polypyridyl complexes with B-DNA

    Science.gov (United States)

    The ruthenium(II) polypyridyl complexes (RPCs), [(phen)2Ru(tatpp)]Cl2 (3Cl2) and [(phen)2Ru (tatpp)Ru(phen)2]Cl4 (4Cl4), containing the large planar and redox-active tetraazatetrapyrido- pentacene (tatpp) ligand, cleave DNA in the presence of reducing agents in cell-free assays and show significant...

  12. Diastereoselective Addition of α-Metalated Sulfoxides to Imines Revisited: Mechanism, Computational Studies, and the Effect of External Chiral Ligands

    DEFF Research Database (Denmark)

    Pedersen, Brian; Rein, Tobias; Søtofte, Inger

    2003-01-01

    six-membered "flat chair") was probed by quantum mechanical calculations, which underpinned the idea of using external chiral ligands to enhance the diastereoselectivity of otherwise moderately selective reactions. In this way, the diastereomeric ratio of the product 3a could be raised from (84 : 16...

  13. Macrocyclic ligand decorated ordered mesoporous silica with large-pore and short-channel characteristics for effective separation of lithium isotopes: synthesis, adsorptive behavior study and DFT modeling.

    Science.gov (United States)

    Liu, Yuekun; Liu, Fei; Ye, Gang; Pu, Ning; Wu, Fengcheng; Wang, Zhe; Huo, Xiaomei; Xu, Jian; Chen, Jing

    2016-10-18

    Effective separation of lithium isotopes is of strategic value which attracts growing attention worldwide. This study reports a new class of macrocyclic ligand decorated ordered mesoporous silica (OMS) with large-pore and short-channel characteristics, which holds the potential to effectively separate lithium isotopes in aqueous solutions. Initially, a series of benzo-15-crown-5 (B15C5) derivatives containing different electron-donating or -withdrawing substituents were synthesized. Extractive separation of lithium isotopes in a liquid-liquid system was comparatively studied, highlighting the effect of the substituent, solvent, counter anion and temperature. The optimal NH 2 -B15C5 ligands were then covalently anchored to a short-channel SBA-15 OMS precursor bearing alkyl halides via a post-modification protocol. Adsorptive separation of the lithium isotopes was fully investigated, combined with kinetics and thermodynamics analysis, and simulation by using classic adsorption isotherm models. The NH 2 -B15C5 ligand functionalized OMSs exhibited selectivity to lithium ions against other alkali metal ions including K(i). Additionally, a more efficient separation of lithium isotopes could be obtained at a lower temperature in systems with softer counter anions and solvents with a lower dielectric constant. The highest value separation factor (α = 1.049 ± 0.002) was obtained in CF 3 COOLi aqueous solution at 288.15 K. Moreover, theoretical computation based on the density functional theory (DFT) was performed to elucidate the complexation interactions between the macrocyclic ligands and lithium ions. A suggested mechanism involving an isotopic exchange equilibrium was proposed to describe the lithium isotope separation by the functionalized OMSs.

  14. Elucidating the immunological effects of 5-azacytidine treatment in patients with myelodysplastic syndrome and identifying new conditional ligands and T-cell epitopes of relevance in melanoma

    DEFF Research Database (Denmark)

    Frøsig, Thomas Mørch

    2015-01-01

    This review is focused on research within three different areas of tumor immunology: discovery of new T-cell epitopes and a new immunological antigen (reported in Paper I and II), elucidation of the immunological effects of treatment with a hypomethylating drug (reported in Paper III) and discovery...... frequently recognized by T cells from HLA-A2 patients. On contrary, in Paper II we wanted to investigate the protein Nodal as a novel immunological target. We took advantage of a T-cell epitope mapping platform in which HLA ligands are predicted by computer-based algorithms, further tested in the laboratory...... by an ELISA-based method and used for flow cytometry-based detection of specific T-cell responses by use of combinatorial encoded major histocompatibility (MHC) class I multimers. This procedure resulted in 127 (Paper I) and 32 (Paper II) confirmed HLA ligands, respectively, which we used for screening...

  15. A computational mechanistic study of Pd(ii)-catalyzed γ-C(sp3)-H olefination/cyclization of amines: the roles of bicarbonate and ligand effect.

    Science.gov (United States)

    Liu, Jian-Biao; Tian, Ying-Ying; Zhang, Xin; Wang, Lu-Lin; Chen, De-Zhan

    2018-04-03

    The detailed mechanism of palladium-catalyzed γ-C(sp3)-H olefination/cyclization of triflyl-protected amines was investigated by density functional theory (DFT) calculations. The olefinated intermediate was initially formed in the first catalytic cycle involving ligand exchange, bicarbonate-assisted C(sp3)-H bond cleavage, alkene insertion and 'reductive β-hydride elimination'. The following syn-addition and reductive elimination furnish the aza-Wacker product. The first step of reductive elimination is the rate-determining step. The mechanism unveils the important roles of bicarbonate: aiding the C-H activation and abstracting the β-proton in the second step of reductive elimination. The parallel bridging mode in the metal-olefin intermediate facilitates the syn-addition, explaining the experimentally observed stereoselectivity. The effect of the monodentate pyridine-based ligands is also discussed.

  16. Ligand field effects in the nuclear magnetic shielding of nitrogen-15 and cobalt-59 in bent nitrosyl complexes of cobalt(III)

    International Nuclear Information System (INIS)

    Duffin, P.A.; Larkworthy, L.F.; Mason, J.; Stephens, A.N.; Thompson, R.M.

    1987-01-01

    A range of square-pyramidal complexes of cobalt(III) with a bent apical nitrosyl ligand has been prepared and examined by 15 N and 59 Co NMR spectroscopy, in a study of nephelauxetic and spectrochemical effects at the metal and nitrogen nuclei in the bent Co-NO chromophore. The basal ligands in this comparison include dithiocarbamate, quadridentate Schiff base or porphine, and bis-chelating diamine or oximate, so as to give S 4 , S 2 N 2 , N 4 , OONN, or ONON coordination in the plane and a range of substituents in the chelate and phenylene rings. The shielding of both cobalt and nitrogen tends to decrease with decrease in the M(d) → π*(NO) back-bonding, as indicated by the MN and NO bond distances, the MNO angle and the NO stretching frequency. The shieldings decrease from sulfur to nitrogen to oxygen coligators and also with electron withdrawal by ring substituents (and vice versa), i.e. with decrease in the ligand field splitting and in the nephelauxetism of the coligands. These parallelisms of the cobalt and nitrogen shielding accord with the orbital theory that was developed to explain the bending of the MNO ligand and influences of the metal and coligands. Significant interdependence of spectrochemical and nephelauxetic effects at cobalt and nitrogen arises from the degree of overlap and similarity in energies of the frontier orbitals for the paramagnetic circulation at nitrogen [n(N) → π* (NO)] and at cobalt (d-d). 43 references, 5 figures, 2 tables

  17. Golimumab for the treatment of axial spondyloarthritis.

    Science.gov (United States)

    Palazzi, Carlo; D'angelo, Salvatore; Gilio, Michele; Leccese, Pietro; Padula, Angela; Olivieri, Ignazio

    2017-01-01

    Anti-TNF drugs have represented an epochal revolution in the treatment of rheumatoid arthritis and spondyloarthritis. In the field of axial spondyloarthritis, golimumab, a fully human monoclonal anti-TNFα administered subcutaneously every 4 weeks, has shown significant efficacy and good safety in patients with ankylosing spondylitis. More recently, it was also indicated as an effective treatment for patients suffering from non-radiographic axial spondyloarthitits. Areas covered: A systematic literature search was completed, using the largest electronic databases (Medline, Embase and Cochrane), with the aim to review all data concerning the administration of golimumab in patients suffering from axial spondyloartritis. Expert opinion: In the 16-week GO-AHEAD study, golimumab was effective in patients with non-radiographic spondyloarthritis with high levels of CRP and/or positive MRI findings, but not in subjects with both negative CRP and MRI. This finding allows for the addressing the of anti-TNF treatment more specifically. Preliminary data concerning an open-label extension of the GO-AHEAD study outlined the high retention-rate of the drug at 52 weeks. The production of antibodies against golimumab is rare and it seems to exert scarce influence on the drug performances. In conclusion, golimumab appears as a very useful and well tolerated anti-TNF agent.

  18. Radial loads and axial thrusts on centrifugal pumps

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    The proceedings of a seminar organised by the Power Industries Division of the IMechE are presented in this text. Complete contents: Review of parameters influencing hydraulic forces on centrifugal impellers; The effect of fluid forces at various operation conditions on the vibrations of vertical turbine pumps; A review of the pump rotor axial equilibrium problem - some case studies; Dynamic hydraulic loading on a centrifugal pump impeller; Experimental research on axial thrust loads of double suction centrifugal pumps; A comparison of pressure distribution and radial loads on centrifugal pumps; A theoretical and experimental investigation of axial thrusts within a multi-stage centrifugal pump

  19. Development and validation of a terrestrial biotic ligand model predicting the effect of cobalt on root growth of barley (Hordeum vulgare)

    International Nuclear Information System (INIS)

    Lock, K.; De Schamphelaere, K.A.C.; Becaus, S.; Criel, P.; Van Eeckhout, H.; Janssen, C.R.

    2007-01-01

    A Biotic Ligand Model was developed predicting the effect of cobalt on root growth of barley (Hordeum vulgare) in nutrient solutions. The extent to which Ca 2+ , Mg 2+ , Na + , K + ions and pH independently affect cobalt toxicity to barley was studied. With increasing activities of Mg 2+ , and to a lesser extent also K + , the 4-d EC50 Co2+ increased linearly, while Ca 2+ , Na + and H + activities did not affect Co 2+ toxicity. Stability constants for the binding of Co 2+ , Mg 2+ and K + to the biotic ligand were obtained: log K CoBL = 5.14, log K MgBL = 3.86 and log K KBL = 2.50. Limited validation of the model with one standard artificial soil and one standard field soil showed that the 4-d EC50 Co2+ could only be predicted within a factor of four from the observed values, indicating further refinement of the BLM is needed. - Biotic Ligand Models are not only a useful tool to assess metal toxicity in aquatic systems but can also be used for terrestrial plants

  20. Effect of ligand nature and geometry of its surrounding on electron absorption spectra of NpO22+ and PuO22+ compounds

    International Nuclear Information System (INIS)

    Sokolov, E.I.; Tebelev, L.G.; Melkaya, R.F.; Rykov, A.G.

    1981-01-01

    Electron absorption spectra of actinide compounds with the symmetry of the nearest surrounding of actinyl-ions as follows: Dsub(2h)-AnO 2 (NO 3 ) 2 xnH 2 O, AnO 2 (CH 3 COO) 2 x2H 2 O; Dsub(3h)-MAnO 2 (NO 3 ) 3 (M-K, Rb, Cs), NaAnO 2 (CH 3 COO) 3 , (NH 4 ) 4 AnO 2 (CO 3 ) 3 ; Dsub(4h)-Cs 2 AnO 2 Cl 4 , where An-U, Np, Pb, are measured at room temperature. It is established that position, intensity and form of absorption bands in neptunyl compound spectra are sensible equally to geometry of coordination sphere and to ligand nature. The character of the change of plutonyl compound spectra is the same as of neptunyl ones: it is determined both by surrounding geometry and chemical nature of ligands. It is shown that in the near infrared region ligand effect on plutonyl compound spectra with the symmetry of anion complex Dsub(3h) is weaker than in the visible region

  1. The Effect of Nitrogen Surface Ligands on Propane Metathesis: Design and Characterizations of N-modified SBA15-Supported Schrock-type Tungsten Alkylidyne

    KAUST Repository

    Eid, Ahmed A.

    2014-04-01

    Catalysis, which is primarily a molecular phenomenon, is an important field of chemistry because it requires the chemical conversion of molecules into other molecules. It also has an effect on many fields, including, but not limited to, industry, environment and life Science[1]. Surface Organometallic Chemistry is an effective methodology for Catalysis as it imports the concept and mechanism of organometallic chemistry, to surface science and heterogeneous catalysis. So, it bridges the gap between homogenous and heterogeneous catalysis[1]. The aim of the present research work is to study the effect of Nitrogen surface ligands on the activity of Alkane, Propane in particular, metathesis. Our approach is based on the preparation of selectively well-defined group (VI) transition metal complexes supported onto mesoporous materials, SBA15 and bearing amido and/or imido ligands. We choose nitrogen ligands because, according to the literature, they showed in some cases better catalytic properties in homogenous catalysis in comparison with their oxygen counterparts[2]. The first section covers the modification of a highly dehydroxylated SBA15 surface using a controlled ammonia treatment. These will result in the preparation of two kind of Nitrogen surface ligands: -\\tOne with vicinal silylamine/silanol, (≡SiNH2)(≡SiOH), noted [N,O]SBA15 and, -\\tAnother\\tone\\twith\\tvicinal\\tbis-silylamine moieties (≡SiNH2)2, noted [N,N]SBA15[3]. The second section covers the reaction of Schrock type Tungsten Carbyne [W(≡C- tBu)(CH2-tBu)3] with those N-surface ligands and their characterizations by FT-IR, multiple quantum solid state NMR (1H, 13C), elemental analysis and gas phase analysis. The third section covers the generation of the active site, tungsten hydride species. Their performance toward propane metathesis reaction using the dynamic reactor technique PID compared toward previous well-known catalysts supported on silica oxide or mesoporous materials[4]. A fairly good

  2. Polymorphism of Ag29(BDT)12(TPP)43- cluster: interactions of secondary ligands and their effect on solid state luminescence.

    Science.gov (United States)

    Nag, Abhijit; Chakraborty, Papri; Bodiuzzaman, Mohammad; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil

    2018-05-31

    We present the first example of polymorphism (cubic & trigonal) in single crystals of an atomically precise monolayer protected cluster, Ag29(BDT)12(TPP)43-. We demonstrate that C-Hπ interactions of the secondary ligands (TPP) are dominant in a cubic lattice compared to a trigonal lattice, resulting in a greater rigidity of the structure, which in turn, results in a higher luminescence efficiency in it.

  3. Diastereo- and enantioselective iridium-catalyzed allylation of cyclic ketone enolates: synergetic effect of ligands and barium enolates.

    Science.gov (United States)

    Chen, Wenyong; Chen, Ming; Hartwig, John F

    2014-11-12

    We report asymmetric allylic alkylation of barium enolates of cyclic ketones catalyzed by a metallacyclic iridium complex containing a phosphoramidite ligand derived from (R)-1-(2-naphthyl)ethylamine. The reaction products contain adjacent quaternary and tertiary stereocenters. This process demonstrates that unstabilized cyclic ketone enolates can undergo diastereo- and enantioselective Ir-catalyzed allylic substitution reactions with the proper choice of enolate countercation. The products of these reactions can be conveniently transformed to various useful polycarbocyclic structures.

  4. Effects of the Linking of Cyclopentadienyl and Ketimide Ligands in Titanium Half-sandwich Olefin Polymerization Catalysts

    Czech Academy of Sciences Publication Activity Database

    Varga, Vojtěch; Večeřa, M.; Gyepes, R.; Pinkas, Jiří; Horáček, Michal; Merna, J.; Lamač, Martin

    2017-01-01

    Roč. 9, č. 16 (2017), s. 3160-3172 ISSN 1867-3880 R&D Projects: GA ČR(CZ) GA14-08531S; GA ČR(CZ) GA17-13778S Institutional support: RVO:61388955 Keywords : ketimide ligands * olefin polymerization catalysts * cyclopentadienyl Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 4.803, year: 2016

  5. Conservative axial burnup distributions for actinide-only burnup credit

    International Nuclear Information System (INIS)

    Kang, C.; Lancaster, D.

    1997-11-01

    Unlike the fresh fuel approach, which assumes the initial isotopic compositions for criticality analyses, any burnup credit methodology must address the proper treatment of axial burnup distributions. A straightforward way of treating a given axial burnup distribution is to segment the fuel assembly into multiple meshes and to model each burnup mesh with the corresponding isotopic compositions. Although this approach represents a significant increase in modeling efforts compared to the uniform average burnup approach, it can adequately determine the reactivity effect of the axial burnup distribution. A major consideration is what axial burnup distributions are appropriate for use in light of many possible distributions depending on core operating conditions and histories. This paper summarizes criticality analyses performed to determine conservative axial burnup distributions. The conservative axial burnup distributions presented in this paper are included in the Topical Report on Actinide-Only Burnup Credit for Pressurized Water Reactor Spent Nuclear Fuel Packages, Revision 1 submitted in May 1997 by the US Department of Energy (DOE) to the US Nuclear Regulatory Commission (NRC). When approved by NRC, the conservative axial burnup distributions may be used to model PWR spent nuclear fuel for the purpose of gaining actinide only burnup credit

  6. Evaluation of the effect of polymorphism on G-quadruplex-ligand interaction by means of spectroscopic and chromatographic techniques

    Science.gov (United States)

    Benito, S.; Ferrer, A.; Benabou, S.; Aviñó, A.; Eritja, R.; Gargallo, R.

    2018-05-01

    Guanine-rich sequences may fold into highly ordered structures known as G-quadruplexes. Apart from the monomeric G-quadruplex, these sequences may form multimeric structures that are not usually considered when studying interaction with ligands. This work studies the interaction of a ligand, crystal violet, with three guanine-rich DNA sequences with the capacity to form multimeric structures. These sequences correspond to short stretches found near the promoter regions of c-kit and SMARCA4 genes. Instrumental techniques (circular dichroism, molecular fluorescence, size-exclusion chromatography and electrospray ionization mass spectrometry) and multivariate data analysis were used for this purpose. The polymorphism of G-quadruplexes was characterized prior to the interaction studies. The ligand was shown to interact preferentially with the monomeric G-quadruplex; the binding stoichiometry was 1:1 and the binding constant was in the order of 105 M-1 for all three sequences. The results highlight the importance of DNA treatment prior to interaction studies.

  7. A Nonbactericidal Zinc-Complexing Ligand as a Biofilm Inhibitor: Structure-Guided Contrasting Effects on Staphylococcus aureus Biofilm.

    Science.gov (United States)

    Kapoor, Vidushi; Rai, Rajanikant; Thiyagarajan, Durairaj; Mukherjee, Sandipan; Das, Gopal; Ramesh, Aiyagari

    2017-08-04

    Zinc-complexing ligands are prospective anti-biofilm agents because of the pivotal role of zinc in the formation of Staphylococcus aureus biofilm. Accordingly, the potential of a thiosemicarbazone (compound C1) and a benzothiazole-based ligand (compound C4) in the prevention of S. aureus biofilm formation was assessed. Compound C1 displayed a bimodal activity, hindering biofilm formation only at low concentrations and promoting biofilm growth at higher concentrations. In the case of C4, a dose-dependent inhibition of S. aureus biofilm growth was observed. Atomic force microscopy analysis suggested that at higher concentrations C1 formed globular aggregates, which perhaps formed a substratum that favored adhesion of cells and biofilm formation. In the case of C4, zinc supplementation experiments validated zinc complexation as a plausible mechanism of inhibition of S. aureus biofilm. Interestingly, C4 was nontoxic to cultured HeLa cells and thus has promise as a therapeutic anti-biofilm agent. The essential understanding of the structure-driven implications of zinc-complexing ligands acquired in this study might assist future screening regimes for identification of potent anti-biofilm agents. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Computational analysis of a multistage axial compressor

    Science.gov (United States)

    Mamidoju, Chaithanya

    Turbomachines are used extensively in Aerospace, Power Generation, and Oil & Gas Industries. Efficiency of these machines is often an important factor and has led to the continuous effort to improve the design to achieve better efficiency. The axial flow compressor is a major component in a gas turbine with the turbine's overall performance depending strongly on compressor performance. Traditional analysis of axial compressors involves throughflow calculations, isolated blade passage analysis, Quasi-3D blade-to-blade analysis, single-stage (rotor-stator) analysis, and multi-stage analysis involving larger design cycles. In the current study, the detailed flow through a 15 stage axial compressor is analyzed using a 3-D Navier Stokes CFD solver in a parallel computing environment. Methodology is described for steady state (frozen rotor stator) analysis of one blade passage per component. Various effects such as mesh type and density, boundary conditions, tip clearance and numerical issues such as turbulence model choice, advection model choice, and parallel processing performance are analyzed. A high sensitivity of the predictions to the above was found. Physical explanation to the flow features observed in the computational study are given. The total pressure rise verses mass flow rate was computed.

  9. A note on axial symmetries

    International Nuclear Information System (INIS)

    Beetle, Christopher; Wilder, Shawn

    2015-01-01

    This note describes how to characterize and normalize an axial Killing field on a general Riemannian geometry or four-dimensional Lorentzian geometry. No global assumptions are necessary, such as that the orbits of the Killing field all have period 2π. Rather, any Killing field that vanishes at at least one point necessarily has the expected global properties. (note)

  10. Axial structure of the nucleon

    Energy Technology Data Exchange (ETDEWEB)

    Veronique Bernard; Latifa Elouadrhiri; Ulf-G Meissner

    2002-01-01

    We review the current status of experimental and theoretical understanding of the axial nucleon structure at low and moderate energies. Topics considered include (quasi)elastic (anti)neutrino-nucleon scattering, charged pion electroproduction off nucleons and ordinary as well as radiative muon capture on the proton.

  11. Effect of the competition of Cu(II) and Ni(II) on the kinetic and thermodynamic stabilities of Cr(III)-organic ligand complexes using competitive ligand exchange (EDTA).

    Science.gov (United States)

    Cunha, Graziele da Costa; Goveia, Danielle; Romão, Luciane Pimenta Cruz; de Oliveira, Luciana Camargo

    2015-05-01

    The effect of competition of Cu(II) and Ni(II) on the kinetic stability of Cr(III) complexed with natural organic matter (NOM) was characterized using EDTA exchange with single-stage tangential-flow ultrafiltration. For a water sample from Serra de Itabaiana, 3% of spiked Cr(III) was exchanged, while for a sample from the Itapanhaú River, 7, 10, 10, and 21% was exchanged in experiments using Cr(III) alone and in combination with Cu(II), Ni(II), or Cu(II) + Ni(II), respectively. Times required to reach exchange equilibrium with EDTA were less than 360 min. The influence of competition from Ni(II) and Cu(II) on the availability of complexed Cr(III) was low, demonstrating preference of the ligand sites for Cr(III). This was correlated with sample humification, as confirmed by EPR and (13)C NMR analyses. Exchange efficiency was in the order Cu > Ni > Cr, and the process could be readily described by first order kinetics, with average rate constants of 0.35-0.37 h(-1). Copyright © 2015 Elsevier Ltd. All rights reserved.

  12. Schiff base ligand

    Indian Academy of Sciences (India)

    Unknown

    Low-temperature stoichiometric Schiff base reaction in air in 3 : 1 mole ratio between benz- aldehyde and triethylenetetramine (trien) in methanol yields a novel tetraaza µ-bis(bidentate) acyclic ligand L. It was .... electrochemical work was performed as reported in ..... change in ligand shape through change in oxidation.

  13. Ligands for the peroxisome proliferator-activated receptor-γ have inhibitory effects on growth of human neuroblastoma cells in vitro

    International Nuclear Information System (INIS)

    Valentiner, Ursula; Carlsson, Margarita; Erttmann, Rudolf; Hildebrandt, Herbert; Schumacher, Udo

    2005-01-01

    The thiazolidinedione (TZD) or glitazone class of peroxisome proliferator-activated-γ (PPAR-γ) ligands not only induce adipocyte differentiation and increase insulin sensitivity, but also exert growth inhibitory effects on several carcinoma cell lines in vitro as well as in vivo. In the current study the in vitro effect of four PPAR-γ agonists (ciglitazone, pioglitazone, troglitazone, rosiglitazone) on the cell growth of seven human neuroblastoma cell lines (Kelly, LAN-1, LAN-5, LS, IMR-32, SK-N-SH, SH-SY5Y) was investigated. Growth rates were assessed by a colorimetric XTT-based assay kit. Expression of PPAR-γ protein was examined by immunohistochemistry and Western blot analysis. All glitazones inhibited in vitro growth and viability of the human neuroblastoma cell lines in a dose-dependent manner showing considerable effects only at high concentrations (10 μM and 100 μM). Effectiveness of the glitazones on neuroblastoma cell growth differed depending on the cell line and the agent. The presence of PPAR-γ protein was demonstrated in all cell lines. Our findings indicate that ligands for PPAR-γ may be useful therapeutic agents for the treatment of neuroblastoma. Thus the effect of glitazones on the growth of neuroblastoma should now be investigated in an in vivo animal model

  14. Enthalpies of ligand substitution for [Mo(η5C5H5)(CO)2(NO)] – The role of π-bonding effects in metal–ligand bond strengths

    International Nuclear Information System (INIS)

    Majumdar, Subhojit; Captain, Burjor; Cazin, Catherine S.J.; Nolan, Steven P.; Hoff, Carl D.

    2014-01-01

    Graphical abstract: - Highlights: • Enthalpies of ligand substitution are measured for Mo(C 5 H 5 )(CO) 2 (NO). • Phosphines and N-heterocyclic carbenes are stronger ligands and displace CO. • Backbonding to π ∗ orbitals is an important part of complex stability. • FTIR studies show shifts to lower wavenumbers of ν-CO and ν-NO. • Structural studies show lengthening of the C-O and N-O bonds. - Abstract: Enthalpies of ligand substitution for [Mo(η 5 -C 5 H 5 )(CO) 2 (NO)] producing [Mo(η 5 -C 5 H 5 )Mo(CO)(L)(NO)] have been measured by solution calorimetry at 30 °C in THF for L = P(OMe) 3 2 2 Ph 3 (SIPr = 1,3-bis(2,6-bis(diisopropylphenyl)imidazolinylidene; IPr = 1,3-bis(2,6-bis(diisopropylphenyl)-imidazol-2-ylidene)). The accepting metal fragment [Mo(η 5 -C 5 H 5 )(CO)(NO)] has a vacant site containing strongly π-accepting carbonyl and nitrosyl ligands and this is shown to influence the stability of the product complex. Infrared studies of both ν CO and ν NO show that metal-to-ligand backbonding increases in the order P(OMe) 3 3 5 -C 5 H 5 )(CO)(IPr)(NO)] and [Mo(η 5 -C 5 H 5 )(CO)(SIPr)(NO)] are reported

  15. Axial- and radial-resolved electron density and excitation temperature of aluminum plasma induced by nanosecond laser: Effect of the ambient gas composition and pressure

    Directory of Open Access Journals (Sweden)

    Mahmoud S. Dawood

    2015-11-01

    Full Text Available The spatial variation of the characteristics of an aluminum plasma induced by a pulsed nanosecond XeCl laser is studied in this paper. The electron density and the excitation temperature are deduced from time- and space- resolved Stark broadening of an ion line and from a Boltzmann diagram, respectively. The influence of the gas pressure (from vacuum up to atmospheric pressure and compositions (argon, nitrogen and helium on these characteristics is investigated. It is observed that the highest electron density occurs near the laser spot and decreases by moving away both from the target surface and from the plume center to its edge. The electron density increases with the gas pressure, the highest values being occurred at atmospheric pressure when the ambient gas has the highest mass, i.e. in argon. The excitation temperature is determined from the Boltzmann plot of line intensities of iron impurities present in the aluminum target. The highest temperature is observed close to the laser spot location for argon at atmospheric pressure. It decreases by moving away from the target surface in the axial direction. However, no significant variation of temperature occurs along the radial direction. The differences observed between the axial and radial direction are mainly due to the different plasma kinetics in both directions.

  16. Chitosan and carboxymethyl-chitosan capping ligands: Effects on the nucleation and growth of hydroxyapatite nanoparticles for producing biocomposite membranes.

    Science.gov (United States)

    Dumont, Vitor C; Mansur, Alexandra A P; Carvalho, Sandhra M; Medeiros Borsagli, Fernanda G L; Pereira, Marivalda M; Mansur, Herman S

    2016-02-01

    Synthetic biomaterials based on calcium phosphates (CaP) have been widely studied for bone tissue reconstruction therapies, but no definitive solution that fulfills all of the required properties has been identified. Thus, this study reports the synthesis of composite membranes based on nanohydroxyapatite particles (nHA) embedded in chitosan (CHI) and O-carboxymethyl chitosan (CMC) matrices produced using a one-step co-precipitation method in water media. Biopolymers were used as capping ligands for simultaneously controlling the nucleation and growth of the nHA particles during the precipitation process and also to form the polymeric network of the biocomposites. The bionanocomposites were extensively characterized using light microscopy (LM), scanning and transmission electron microscopy (SEM/TEM), energy-dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), atomic force microscopy (AFM), X-ray micro-CT analysis (μCT), andMTT (3-(4,5-dimethylthiazolyl-2)-2,5-diphenyltetrazoliumbromide) cell proliferation assays for cell cytotoxicity. The results demonstrated that the ligands used during the synthesis highly affected the composites produced, primarily due the changes in the mechanisms and kinetics of nucleation and growth of the HA particles at the nanoscale level. The SEMimages revealed that the use of carboxyl-functionalized chitosan (CMC) ligands significantly reduced the average size of theHA nanoparticles and caused the formation of a narrower size distribution (90±20nm) compared to theHAnanoparticles producedwith chitosan ligands (220±50nm). The same trend was verified by the AFM analysis,where the nHA particles were formed evenly dispersed in the polymer matrix. However, the CMC-based composites were more homogeneously distributed, which was endorsed by the images collected via X-ray micro-CT. The FTIR spectra and the XRD analysis indicated that nanosized hydroxyapatite was the predominant calcium

  17. Cladding axial elongation models for FRAP-T6

    International Nuclear Information System (INIS)

    Shah, V.N.; Carlson, E.R.; Berna, G.A.

    1983-01-01

    This paper presents a description of the cladding axial elongation models developed at the Idaho National Engineering Laboratory (INEL) for use by the FRAP-T6 computer code in analyzing the response of fuel rods during reactor transients in light water reactors (LWR). The FRAP-T6 code contains models (FRACAS-II subcode) that analyze the structural response of a fuel rod including pellet-cladding-mechanical-interaction (PCMI). Recently, four models were incorporated into FRACAS-II to calculate cladding axial deformation: (a) axial PCMI, (b) trapped fuel stack, (c) fuel relocation, and (d) effective fuel thermal expansion. Comparisons of cladding axial elongation measurements from two experiments with the corresponding FRAP-T6 calculations are presented

  18. Computer axial tomography in geosciences

    International Nuclear Information System (INIS)

    Duliu, Octavian G.

    2002-01-01

    Computer Axial Tomography (CAT) is one of the most adequate non-invasive techniques for the investigation of the internal structure of a large category of objects. Initially designed for medical investigations, this technique, based on the attenuation of X- or gamma-ray (and in some cases neutrons), generates digital images which map the numerical values of the linear attenuation coefficient of a section or of the entire volume of the investigated sample. Shortly after its application in medicine, CAT has been successfully used in archaeology, life sciences, and geosciences as well as for the industrial materials non-destructive testing. Depending on the energy of the utilized radiation as well as on the effective atomic number of the sample, CAT can provide with a spatial resolution of 0.01 - 0.5 mm, quantitative as well as qualitative information concerning local density, porosity or chemical composition of the sample. At present two types of axial Computer Tomographs (CT) are in use. One category, consisting of medical as well as industrial CT is equipped with X-ray tubes while the other uses isotopic gamma-ray sources. CT provided with intense X-ray sources (equivalent to 12-15 kCi or 450-550 TBq) has the advantage of an extremely short running time (a few seconds and even less) but presents some disadvantages known as beam hardening and absorption edge effects. These effects, intrinsically related to the polychromatic nature of the X-rays generated by classical tubes, need special mathematical or physical corrections. A polychromatic X-ray beam can be made almost monochromatic by means of crystal diffraction or by using adequate multicomponent filters, but these devices are costly and considerably diminish the output of X-ray generators. In the case of CT of the second type, monochromatic gamma-rays generated by radioisotopic sources, such as 169 Yb (50.4 keV), 241 Am (59 keV), 192 Ir (310.5 and 469.1 keV ) or 137 Cs (662.7 keV), are used in combination with

  19. Reactive control of subsonic axial fan noise in a duct.

    Science.gov (United States)

    Liu, Y; Choy, Y S; Huang, L; Cheng, L

    2014-10-01

    Suppressing the ducted fan noise at low frequencies without varying the flow capacity is still a technical challenge. This study examines a conceived device consisting of two tensioned membranes backed with cavities housing the axial fan for suppression of the sound radiation from the axial fan directly. The noise suppression is achieved by destructive interference between the sound fields from the axial fan of a dipole nature and sound radiation from the membrane via vibroacoustics coupling. A two-dimensional model with the flow effect is presented which allows the performance of the device to be explored analytically. The air flow influences the symmetrical behavior and excites the odd in vacuo mode response of the membrane due to kinematic coupling. Such an asymmetrical effect can be compromised with off-center alignment of the axial fan. Tension plays an important role to sustain the performance to revoke the deformation of the membrane during the axial fan operation. With the design of four appropriately tensioned membranes covered by a cylindrical cavity, the first and second blade passage frequencies of the axial fan can be reduced by at least 20 dB. The satisfactory agreement between experiment and theory demonstrates that its feasibility is practical.

  20. Investigation of angular and axial smoothing of PET data

    International Nuclear Information System (INIS)

    Daube-Witherspoon, M.E.; Carson, R.E.

    1996-01-01

    Radial filtering of emission and transmission data is routinely performed in PET during reconstruction in order to reduce image noise. Angular smoothing is not typically done, due to the introduction of a non-uniform resolution loss; axial filtering is also not usually performed on data acquired in 2D mode. The goal of this paper was to assess the effects of angular and axial smoothing on noise and resolution. Angular and axial smoothing was incorporated into the reconstruction process on the Scanditronix PC2048-15B brain PET scanner. In-plane spatial resolution and noise reduction were measured for different amounts of radial and angular smoothing. For radial positions away from the center of the scanner, noise reduction and degraded tangential resolution with no loss of radial resolution were seen. Near the center, no resolution loss was observed, but there was also no reduction in noise for angular filters up to a 7 degrees FWHM. These results can be understood by considering the combined effects of smoothing projections across rows (angles) and then summing (backprojecting). Thus, angular smoothing is not optimal due to its anisotropic noise reduction and resolution degradation properties. However, uniform noise reduction comparable to that seen with radial filtering can be achieved with axial smoothing of transmission data. The axial results suggest that combined radial and axial transmission smoothing could lead to improved noise characteristics with more isotropic resolution degradation

  1. Antidepressant-like effects of the cannabinoid receptor ligands in the forced swimming test in mice: mechanism of action and possible interactions with cholinergic system.

    Science.gov (United States)

    Kruk-Slomka, Marta; Michalak, Agnieszka; Biala, Grazyna

    2015-05-01

    The purpose of the experiments was to explore the role of the endocannabinoid system, through cannabinoid (CB) receptor ligands, nicotine and scopolamine, in the depression-related responses using the forced swimming test (FST) in mice. Our results revealed that acute injection of oleamide (10 and 20 mg/kg), a CB1 receptor agonist, caused antidepressant-like effect in the FST, while AM 251 (0.25-3 mg/kg), a CB1 receptor antagonist, did not provoke any effect in this test. Moreover, acute administration of both CB2 receptor agonist, JWH 133 (0.5 and 1 mg/kg) and CB2 receptor antagonist, AM 630 (0.5 mg/kg), exhibited antidepressant action. Antidepressant effects of oleamide and JWH 133 were attenuated by acute injection of both non-effective dose of AM 251, as well as AM 630. Among the all CB compounds used, only the combination of non-effective dose of oleamide (2.5 mg/kg) with non-effective dose of nicotine (0.5 mg/kg) caused an antidepressant effect. However, none of the CB receptor ligands, had influence on the antidepressant effects provoked by nicotine (0.2 mg/kg) injection. In turn, the combination of non-effective dose of oleamide (2.5 mg/kg); JWH (2 mg/kg) or AM 630 (2 mg/kg), but not of AM 251 (0.25 mg/kg), with non-effective dose of scopolamine (0.1 mg/kg), exhibited antidepressant properties. Indeed, all of the CB compounds used, intensified the antidepressant-like effects induced by an acute injection of scopolamine (0.3 mg/kg). Our results provide clear evidence that the endocannabinoid system participates in the depression-related behavior and through interactions with cholinergic system modulate these kind of responses. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. The effect of aqueous speciation and cellular ligand binding on the biotransformation and bioavailability of methylmercury in mercury-resistant bacteria.

    Science.gov (United States)

    Ndu, Udonna; Barkay, Tamar; Schartup, Amina Traore; Mason, Robert P; Reinfelder, John R

    2016-02-01

    Mercury resistant bacteria play a critical role in mercury biogeochemical cycling in that they convert methylmercury (MeHg) and inorganic mercury to elemental mercury, Hg(0). To date there are very few studies on the effects of speciation and bioavailability of MeHg in these organisms, and even fewer studies on the role that binding to cellular ligands plays on MeHg uptake. The objective of this study was to investigate the effects of thiol complexation on the uptake of MeHg by measuring the intracellular demethylation-reduction (transformation) of MeHg to Hg(0) in Hg-resistant bacteria. Short-term intracellular transformation of MeHg was quantified by monitoring the loss of volatile Hg(0) generated during incubations of bacteria containing the complete mer operon (including genes from putative mercury transporters) exposed to MeHg in minimal media compared to negative controls with non-mer or heat-killed cells. The results indicate that the complexes MeHgOH, MeHg-cysteine, and MeHg-glutathione are all bioavailable in these bacteria, and without the mer operon there is very little biological degradation of MeHg. In both Pseudomonas stutzeri and Escherichia coli, there was a pool of MeHg that was not transformed to elemental Hg(0), which was likely rendered unavailable to Mer enzymes by non-specific binding to cellular ligands. Since the rates of MeHg accumulation and transformation varied more between the two species of bacteria examined than among MeHg complexes, microbial bioavailability, and therefore microbial demethylation, of MeHg in aquatic systems likely depends more on the species of microorganism than on the types and relative concentrations of thiols or other MeHg ligands present.

  3. Effects of charge and surface ligand properties of nanoparticles on oxidative stress and gene expression within the gut of Daphnia magna

    Energy Technology Data Exchange (ETDEWEB)

    Dominguez, Gustavo A.; Lohse, Samuel E.; Torelli, Marco; Murphy, Catherine; Hamers, Robert J.; Orr, Galya; Klaper, Rebecca D.

    2015-05-01

    Concern has been raised regarding the current and future release of engineered nanomaterials into aquatic environments from industry and other sources. However, not all nanomaterials may cause an environ-mental impact and identifying which nanomaterials may be of greatest concern has been difficult. It is thought that the surface groups of a functionalized nanoparticles (NPs) may play a significant role in determining their interactions with aquatic organisms, but the way in which surface properties of NPs impact their toxicity in whole organisms has been minimally explored. A major point of interaction of NPs with aquatic organisms is in the gastrointestinal tract as they ingest particulates from the water column or from the sediment. The main goal of this study was to use model gold NP (AuNPs) to evaluate the potential effects of the different surfaces groups on NPs on the gut of an aquatic model organism, Daphnia magna. In this study, we exposed daphnids to a range of AuNPs concentrations and assessed the impact of AuNP exposure in the daphnid gut by measuring reactive oxygen species (ROS) production and expression of genes associated with oxidative stress and general cellular stress: glutathione S-transferase(gst), catalase (cat), heat shock protein 70 (hsp70), and metallothionein1 (mt1). We found ROS formation and gene expression were impacted by both charge and the specific surface ligand used. We detected some degree of ROS production in all NP exposures, but positively charged AuNPs induced a greater ROS response. Similarly, we observed that, compared to controls, both positively charged AuNPs and only one negatively AuNP impacted expression of genes associated with cellular stress. Finally, ligand-AuNP exposures showed a different toxicity and gene expression profile than the ligand alone, indicating a NP specific effect.

  4. SH2 Ligand-Like Effects of Second Cytosolic Domain of Na/K-ATPase α1 Subunit on Src Kinase.

    Science.gov (United States)

    Banerjee, Moumita; Duan, Qiming; Xie, Zijian

    2015-01-01

    Our previous studies have suggested that the α1 Na/K-ATPase interacts with Src to form a receptor complex. In vitro binding assays indicate an interaction between second cytosolic domain (CD2) of Na/K-ATPase α1 subunit and Src SH2 domain. Since SH2 domain targets Src to specific signaling complexes, we expressed CD2 as a cytosolic protein and studied whether it could act as a Src SH2 ligand in LLC-PK1 cells. Co-immunoprecipitation analyses indicated a direct binding of CD2 to Src, consistent with the in vitro binding data. Functionally, CD2 expression increased basal Src activity, suggesting a Src SH2 ligand-like property of CD2. Consistently, we found that CD2 expression attenuated several signaling pathways where Src plays an important role. For instance, although it increased surface expression of Na/K-ATPase, it decreased ouabain-induced activation of Src and ERK by blocking the formation of Na/K-ATPase/Src complex. Moreover, it also attenuated cell attachment-induced activation of Src/FAK. Consequently, CD2 delayed cell spreading, and inhibited cell proliferation. Furthermore, these effects appear to be Src-specific because CD2 expression had no effect on EGF-induced activation of EGF receptor and ERK. Hence, the new findings indicate the importance of Na/K-ATPase/Src interaction in ouabain-induced signal transduction, and support the proposition that the CD2 peptide may be utilized as a Src SH2 ligand capable of blocking Src-dependent signaling pathways via a different mechanism from a general Src kinase inhibitor.

  5. SH2 Ligand-Like Effects of Second Cytosolic Domain of Na/K-ATPase α1 Subunit on Src Kinase.

    Directory of Open Access Journals (Sweden)

    Moumita Banerjee

    Full Text Available Our previous studies have suggested that the α1 Na/K-ATPase interacts with Src to form a receptor complex. In vitro binding assays indicate an interaction between second cytosolic domain (CD2 of Na/K-ATPase α1 subunit and Src SH2 domain. Since SH2 domain targets Src to specific signaling complexes, we expressed CD2 as a cytosolic protein and studied whether it could act as a Src SH2 ligand in LLC-PK1 cells. Co-immunoprecipitation analyses indicated a direct binding of CD2 to Src, consistent with the in vitro binding data. Functionally, CD2 expression increased basal Src activity, suggesting a Src SH2 ligand-like property of CD2. Consistently, we found that CD2 expression attenuated several signaling pathways where Src plays an important role. For instance, although it increased surface expression of Na/K-ATPase, it decreased ouabain-induced activation of Src and ERK by blocking the formation of Na/K-ATPase/Src complex. Moreover, it also attenuated cell attachment-induced activation of Src/FAK. Consequently, CD2 delayed cell spreading, and inhibited cell proliferation. Furthermore, these effects appear to be Src-specific because CD2 expression had no effect on EGF-induced activation of EGF receptor and ERK. Hence, the new findings indicate the importance of Na/K-ATPase/Src interaction in ouabain-induced signal transduction, and support the proposition that the CD2 peptide may be utilized as a Src SH2 ligand capable of blocking Src-dependent signaling pathways via a different mechanism from a general Src kinase inhibitor.

  6. Effects of the capping ligands, linkers and oxide surface on the electron injection mechanism of copper sulfide quantum dot-sensitized solar cells.

    Science.gov (United States)

    Suárez, Javier Amaya; Plata, Jose J; Márquez, Antonio M; Sanz, Javier Fdez

    2017-06-07

    Quantum dot-sensitized solar cells, QDSCs, are a clean and effective alternative to fossil fuels to reduce CO 2 emissions. However, the different components that constitute the QDSCs and the difficulty of isolating experimentally their effects on the performance of the whole system slow down the development of more efficient devices. In this work, DFT calculations are combined with a bottom-up approach to differentiate the effect of each component on the electronic structure and absorption spectra. First, Cu 2 S QDs were built including a U parameter to effectively describe the localization of electrons. The effect of capping agents is addressed using ligands with different electron-donating/withdrawing groups. The role of linkers and their adsorption on the oxide surface are also examined. Finally, we propose a main indirect electron injection mechanism based on the position of the peaks of the spectra.

  7. Ligand-field symmetry effects in Fe(ii) polypyridyl compounds probed by transient X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Hana; Strader, Matthew L.; Hong, Kiryong; Jamula, Lindsey; Gullikson, Eric M.; Kim, Tae Kyu; de Groot, Frank M. F.; McCusker, James K.; Schoenlein, Robert W.; Huse, Nils

    2012-01-01

    Ultrafast excited-state evolution in polypyridyl FeII complexes are of fundamental interest for understanding the origins of the sub-ps spin-state changes that occur upon photoexcitation of this class of compounds as well as for the potential impact such ultrafast dynamics have on incorporation of these compounds in solar energy conversion schemes or switchable optical storage technologies. We have demonstrated that ground-state and, more importantly, ultrafast time-resolved x-ray absorption methods can offer unique insights into the interplay between electronic and geometric structure that underpin the photo-induced dynamics of this class of compounds. The present contribution examines in greater detail how the symmetry of the ligand field surrounding the metal ion can be probed using these x-ray techniques. In particular, we show that steady-state K-edge spectroscopy of the nearest-neighbour nitrogen atoms reveals the characteristic chemical environment of the respective ligands and suggests an interesting target for future charge-transfer femtosecond and attosecond spectroscopy in the x-ray water window.

  8. Axial magnetic field produced by axially and radially magnetized permanent rings

    International Nuclear Information System (INIS)

    Peng, Q.L.; McMurry, S.M.; Coey, J.M.D.

    2004-01-01

    Axial magnetic fields produced by axially and radially magnetized permanent magnet rings were studied. First, the axial magnetic field produced by a current loop is introduced, from which the axial field generated by an infinitely thin solenoid and by an infinitely thin current disk can be derived. Then the axial fields produced by axially and by radially magnetized permanent magnet rings can be obtained. An analytic formula for the axial fields produced by two axially magnetized rings is given. A permanent magnet with a high axial gradient field is fabricated, the measured results agree with the theoretical calculation very well. As an example, the axial periodic field produced by an arrangement of alternating axially and radially magnetized rings has been discussed

  9. View of the Axial Field Spectrometer

    CERN Multimedia

    1980-01-01

    The Axial Field Spectrometer, with the vertical uranium/scintillator calorimeter and the central drift chamber retracted for service. One coil of the Open Axial Field Magnet is just visible to the right.

  10. Axial-Centrifugal Compressor Program

    Science.gov (United States)

    1975-10-01

    Assembly . .. . .... ..... 33 5 Tie Bolt...... .. .. .. .. . *.. .. .. .. .. .. ... 34 6 Axial Compressor Rotor Assembly Runouts . . .. . 34 7 CCV Blow...1.796 Impeller Slip Factor ’Ce2/U 2 ) .91 Impeller Wheel Speed ft/sec 1992.2 Impellet ’.ip Radius in. 3.780 Blade Tip Metal Angle- deg 0 Numbec of Blades...test item to the next Phase V component test. The test vehicle final balance levels and rotor runouts were normal at teardown, and no rubsI were

  11. Synthesis and spectral properties of axially substituted zirconium(IV) and hafnium(IV) water soluble phthalocyanines in solutions

    International Nuclear Information System (INIS)

    Gerasymchuk, Y.S.; Volkov, S.V.; Chernii, V.Ya.; Tomachynski, L.A.; Radzki, St.

    2004-01-01

    Methods of synthesis of novel water soluble axially substituted Zr(IV) and Hf(IV) phthalocyanines with gallic, 5-sulfosalicyllic, oxalic acids, and methyl ester of gallic acid as axial ligands coordinated to the central atom metal of phthalocyanine are presented. The absorption spectra of complex solutions in various solvents were characterized. The dependence of the spectral red shift from Reichardt's empirical polarity parameter is described. The deviation from the linearity of Beer-Bouguer-Lambert law was investigated for the range of concentration 5x10 -6 to 10x10 -5 M. Fluorescent properties of axially substituted phthalocyaninato metal complexes in DMSO solutions were investigated

  12. Development of vortex model with realistic axial velocity distribution

    International Nuclear Information System (INIS)

    Ito, Kei; Ezure, Toshiki; Ohshima, Hiroyuki

    2014-01-01

    A vortex is considered as one of significant phenomena which may cause gas entrainment (GE) and/or vortex cavitation in sodium-cooled fast reactors. In our past studies, the vortex is assumed to be approximated by the well-known Burgers vortex model. However, the Burgers vortex model has a simple but unreal assumption that the axial velocity component is horizontally constant, while in real the free surface vortex has the axial velocity distribution which shows large gradient in radial direction near the vortex center. In this study, a new vortex model with realistic axial velocity distribution is proposed. This model is derived from the steady axisymmetric Navier-Stokes equation as well as the Burgers vortex model, but the realistic axial velocity distribution in radial direction is considered, which is defined to be zero at the vortex center and to approach asymptotically to zero at infinity. As the verification, the new vortex model is applied to the evaluation of a simple vortex experiment, and shows good agreements with the experimental data in terms of the circumferential velocity distribution and the free surface shape. In addition, it is confirmed that the Burgers vortex model fails to calculate accurate velocity distribution with the assumption of uniform axial velocity. However, the calculation accuracy of the Burgers vortex model can be enhanced close to that of the new vortex model in consideration of the effective axial velocity which is calculated as the average value only in the vicinity of the vortex center. (author)

  13. Effect of lifestyle interventions with or without metformin therapy on serum levels of osteoprotegerin and receptor activator of nuclear factor kappa B ligand in patients with prediabetes.

    Science.gov (United States)

    Arslan, Muyesser Sayki; Tutal, Esra; Sahin, Mustafa; Karakose, Melia; Ucan, Bekir; Ozturk, Gulfer; Cakal, Erman; Biyikli Gencturk, Zeynep; Ozbek, Mustafa; Delibasi, Tuncay

    2017-02-01

    Osteoprotegerin has been shown to be increased in cardiovascular disorders and type 2 diabetes mellitus. Prediabetes represents a high risk condition for diabetes and diabetic complications. Therefore, we aimed to find the relationship between prediabetes and osteoprotegerin with nuclear factor-B ligand, carotid intima media thickness, and metabolic markers. A total of 54 participants with prediabetes including impaired fasting glucose (n = 21), impaired glucose tolerance (n = 8), impaired fasting glucose and impaired glucose tolerance (n = 25), and 60 healthy individuals as a control were admitted to the study. Metabolic and anthropometric parameters, insulin resistance variables, osteoprotegerin, and nuclear factor-B ligand markers, carotid intima media thickness were examined at baseline for all participants. To evaluate the effect of therapy we determined the same parameters after the end of the study. Measurements of waist circumference, body mass index, body fat percentage and levels of fasting blood glucose, fasting insulin, homeostatic model assessment of insulin resistance, triglyceride levels and hsCRP and carotid intima media thickness were significantly higher in patients with prediabetes (p  0.05). Patients with prediabetes were under lifestyle interventions with (group 1, n = 33) or without metformin (group 2, n = 21) therapy. Baseline anthropometric and metabolic characteristics were not found statistically different in group 1 and group 2. Mean follow up period of the patients were 7.9 ± 2.2 month (min-max: 6-12 months). After the follow up period we evaluated the same parameters and found significant differences between waist circumference, body mass index, body fat percentage, fasting insulin, homeostatic model assessment of insulin resistance, and osteoprotegerin levels (p prediabetes was associated with a significant decrease in osteoprotegerin and certain metabolic variables together with an increase in nuclear

  14. LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

    KAUST Repository

    Chen, Peng

    2014-12-03

    Background Protein-ligand binding is important for some proteins to perform their functions. Protein-ligand binding sites are the residues of proteins that physically bind to ligands. Despite of the recent advances in computational prediction for protein-ligand binding sites, the state-of-the-art methods search for similar, known structures of the query and predict the binding sites based on the solved structures. However, such structural information is not commonly available. Results In this paper, we propose a sequence-based approach to identify protein-ligand binding residues. We propose a combination technique to reduce the effects of different sliding residue windows in the process of encoding input feature vectors. Moreover, due to the highly imbalanced samples between the ligand-binding sites and non ligand-binding sites, we construct several balanced data sets, for each of which a random forest (RF)-based classifier is trained. The ensemble of these RF classifiers forms a sequence-based protein-ligand binding site predictor. Conclusions Experimental results on CASP9 and CASP8 data sets demonstrate that our method compares favorably with the state-of-the-art protein-ligand binding site prediction methods.

  15. Probing force-induced unfolding intermediates of a single staphylococcal nuclease molecule and the effect of ligand binding

    International Nuclear Information System (INIS)

    Ishii, Takaaki; Murayama, Yoshihiro; Katano, Atsuto; Maki, Kosuke; Kuwajima, Kunihiro; Sano, Masaki

    2008-01-01

    Single-molecule manipulation techniques have given experimental access to unfolding intermediates of proteins that are inaccessible in conventional experiments. A detailed characterization of the intermediates is a challenging problem that provides new possibilities for directly probing the energy landscape of proteins. We investigated single-molecule mechanical unfolding of a small globular protein, staphylococcal nuclease (SNase), using atomic force microscopy. The unfolding trajectories of the protein displayed sub-molecular and stochastic behavior with typical lengths corresponding to the size of the unfolded substructures. Our results support the view that the single protein unfolds along multiple pathways as suggested in recent theoretical studies. Moreover, we found the drastic change, caused by the ligand and inhibitor bindings, in the mechanical unfolding dynamics

  16. Ag2S Quantum Dot-Sensitized Solar Cells by First Principles: The Effect of Capping Ligands and Linkers.

    Science.gov (United States)

    Amaya Suárez, Javier; Plata, Jose J; Márquez, Antonio M; Fernández Sanz, Javier

    2017-09-28

    Quantum dots solar cells, QDSCs, are one of the candidates for being a reliable alternative to fossil fuels. However, the well-studied CdSe and CdTe-based QDSCs present a variety of issues for their use in consumer-goods applications. Silver sulfide, Ag 2 S, is a promising material, but poor efficiency has been reported for QDSCs based on this compound. The potential influence of each component of QDSCs is critical and key for the development of more efficient devices based on Ag 2 S. In this work, density functional theory calculations were performed to study the nature of the optoelectronic properties for an anatase-TiO 2 (101) surface sensitized with different silver sulfide nanoclusters. We demonstrated how it is possible to deeply tune of its electronic properties by modifying the capping ligands and linkers to the surface. Finally, an analysis of the electron injection mechanism for this system is presented.

  17. Effects of subtle differences in ligand constitution and conformation in metallo-supramolecular self-assembled polygons.

    Science.gov (United States)

    Brusilowskij, Boris; Dzyuba, Egor V; Troff, Ralf W; Schalley, Christoph A

    2011-12-07

    3,3'-Bis(pyridin-[n]-ylethynyl)biphenyl (n = 3, 4) and the corresponding 2,2'-bipyridines assemble with (dppp)Pt(II) triflate into metallo-supramolecular polygons. Depending on the position of the terminal pyridine N atoms, the assembly reaction leads to different equilibrium products. With the slow ligand exchange on Pt(II) complexes, the equilibrium is reached on a many-hour time-scale. During the assembly process, larger polygons form under kinetic control. This was confirmed by time-dependent (1)H and (31)P NMR spectroscopy in line with complementary ESI mass spectrometric experiments. The constitutional difference in the pyridine N-atom position is reflected in the tandem mass spectra of the complex ions. In addition, a highly specific fragmentation process of mass-selected M(3)L(3) ions was observed, which proceeds through a ring contraction yielding smaller M(2)L(2) ions.

  18. Dissociation kinetics of open-chain and macrocyclic gadolinium(III)-aminopolycarboxylate complexes related to magnetic resonance imaging: catalytic effect of endogenous ligands.

    Science.gov (United States)

    Baranyai, Zsolt; Pálinkás, Zoltán; Uggeri, Fulvio; Maiocchi, Alessandro; Aime, Silvio; Brücher, Ernő

    2012-12-14

    The kinetics of the metal exchange reactions between open-chain Gd(DTPA)(2-) and Gd(DTPA-BMA), macrocyclic Gd(DOTA)(-) and Gd(HP-DO3A) complexes, and Cu(2+)  ions were investigated in the presence of endogenous citrate, phosphate, carbonate and histidinate ligands in the pH range 6-8 in NaCl (0.15 M) at 25 °C. The rates of the exchange reactions of Gd(DTPA)(2-) and Gd(DTPA-BMA) are independent of the Cu(2+) concentration in the presence of citrate and the reactions occur via the dissociation of Gd(3+)  complexes catalyzed by the citrate ions. The HCO(3)(-)/CO(3)(2-) and H(2)PO(4)(-) ions also catalyze the dissociation of complexes. The rates of the dissociation of Gd(DTPA-BMA), catalyzed by the endogenous ligands, are about two orders of magnitude higher than those of the Gd(DTPA)(2-). In fact near to physiological conditions the bicarbonate and carbonate ions show the largest catalytic effect, that significantly increase the dissociation rate of Gd(DTPA-BMA) and make the higher pH values (when the carbonate ion concentration is higher) a risk-factor for the dissociation of complexes in body fluids. The exchange reactions of Gd(DOTA)(-) and Gd(HP-DO3A) with Cu(2+) occur through the proton assisted dissociation of complexes in the pH range 3.5-5 and the endogenous ligands do not affect the dissociation rates of complexes. More insights into the interaction scheme between Gd(DTPA-BMA) and Gd(DTPA)(2-) and endogenous ligands have been obtained by acquiring the (13)C NMR spectra of the corresponding diamagnetic Y(III)-complexes, indicating the increase of the rates of the intramolecular rearrangements in the presence of carbonate and citrate ions. The herein reported results may have implications in the understanding of the etiology of nephrogenic systemic fibrosis, a rare disease that has been associated to the administration of Gd-containing agents to patients with impaired renal function. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Axial power difference control strategy and computer simulation for GNPS during stretch-out and power decrease

    International Nuclear Information System (INIS)

    Liao Yehong; Xiao Min; Li Xianfeng; Zhu Minhong

    2004-01-01

    Successful control of the axial power difference for PWR is crucial to nuclear safety. After analyzing various elements' effect on the axial power distribution, different axial power deviation control strategies have been proposed to comply with different power decrease scenarios. Application of the strategy to computer simulation shows that our prediction of axial power deviation evolution is comparable to the measurement value, and that our control strategy is effective

  20. Experimental and Computational Studies of the Macrocyclic Effect of an Auxiliary Ligand on Electron and Proton Transfers Within Ternary Copper(II)-Histidine Complexes

    International Nuclear Information System (INIS)

    Song, Tao; Lam, Corey; Ng, Dominic C.; Orlova, G.; Laskin, Julia; Fang, De-Cai; Chu, Ivan K.

    2009-01-01

    The dissociation of [Cu II (L)His] -2+ complexes [L = diethylenetriamine (dien) or 1,4,7-triazacyclononane (9-aneN 3 )] bears a strong resemblance to the previously reported behavior of [Cu II (L)GGH] -2+ complexes. We have used low energy collision-induced dissociation experiments and density functional theory (DFT) calculations at the B3LYP/6-31+G(d) level to study the macrocyclic effect of the auxiliary ligands on the formation of His -+ from prototypical [Cu II (L)His] -2+ systems. DFT revealed that the relative energy barriers of the same electron transfer (ET) dissociation pathways of [Cu II (9-aneN 3 )His] -2+ and [Cu II (dien)His] -2+ are very similar, with the ET reactions of [Cu II (9-aneN 3 )His] -2+ leading to the generation of two distinct His -+ species; in contrast, the proton transfer (PT) dissociation pathways of [Cu II (9-aneN 3 )His] -2+ and [Cu II (dien)His] -2+ differ considerably. The PT reactions of [Cu II (9-aneN 3 )His] -2+ are associated with substantially higher barriers (>13 kcal/mol) than those of [Cu II (dien)His] -2+ . Thus, the sterically encumbered auxiliary 9-aneN3 ligand facilitates ET reactions while moderating PT reactions, allowing the formation of hitherto non-observable histidine radical cations.

  1. Haptoglobin preferentially binds β but not α subunits cross-linked hemoglobin tetramers with minimal effects on ligand and redox reactions.

    Science.gov (United States)

    Jia, Yiping; Wood, Francine; Buehler, Paul W; Alayash, Abdu I

    2013-01-01

    Human hemoglobin (Hb) and haptoglobin (Hp) exhibit an extremely high affinity for each other, and the dissociation of Hb tetramers into dimers is generally believed to be a prerequisite for complex formation. We have investigated Hp interactions with native Hb, αα, and ββ cross-linked Hb (ααXLHb and ββXLHb, respectively), and rapid kinetics of Hb ligand binding as well as the redox reactivity in the presence of and absence of Hp. The quaternary conformation of ββ subunit cross-linking results in a higher binding affinity than that of αα subunit cross-linked Hb. However, ββ cross-linked Hb exhibits a four fold slower association rate constant than the reaction rate of unmodified Hb with Hp. The Hp contact regions in the Hb dimer interfaces appear to be more readily exposed in ββXLHb than ααXLHb. In addition, apart from the functional changes caused by chemical modifications, Hp binding does not induce appreciable effects on the ligand binding and redox reactions of ββXLHb. Our findings may therefore be relevant to the design of safer Hb-based oxygen therapeutics by utilizing this preferential binding of ββXLHb to Hp. This may ultimately provide a safe oxidative inactivation and clearance pathway for chemically modified Hbs in circulation.

  2. Effects of countercations on the structures and redox and spectroscopic properties of diruthenium catecholate complexes with ligand-unsupported Ru-Ru bonds.

    Science.gov (United States)

    Chang, Ho-Chol; Mochizuki, Katsunori; Kitagawa, Susumu

    2005-05-30

    The molecular structures and physicochemical properties of diruthenium complexes with ligand-unsupported Ru-Ru bonds, generally formulated as [A2{Ru2(DTBCat)4}] (DTB = 3,5- or 3,6-di-tert-butyl; Cat(2-) = catecholate), were studied in detail by changing the countercations. First, the binding structures of the cations in a family of [{A(DME)n}2{Ru2(3,5-DTBCat)4}] (n = 2 for A+ = Li+ and Na+ and n = 1 for A+ = K+ and Rb+) were systematically examined to reveal the effects of the cations on the molecular structures and electrochemical properties. Second, the complex (n-Bu4N)2[Ru2(3,6-DTBCat)4] with a cation-free structure was synthesized using tetra-n-butylammonium cations. The complex clearly demonstrates first that the ligand-unsupported Ru-Ru bonds are essentially stabilized by the dianionic nature of the catecholate derivatives without any other bridging or supporting species. In contrast, the redox potentials and absorption spectra of the complexes can sensitively respond to the countercations depending upon the polarity of the solvents.

  3. Effect of pH and uranium concentration on interaction of uranium(VI) and uranium(IV) with organic ligands in aqueous solutions

    International Nuclear Information System (INIS)

    Li, W.C.; Victor, D.M.; Chakrabarti, C.L.

    1980-01-01

    The effect of pH and uranium concentration on the interactions of uranium(VI) and uranium(IV) with organic ligands was studied by employing dialysis and ultrafiltration techniques. The interactions of U(VI) and U(IV) with organic ligands in nitrate or chloride aqueous solution have been found to be pH-dependent. The stability constants of uranium-organic complexes decrease in the order: fulvic acid>humic acid>tannic acid for U(VI) and humic acid>tannic acid>fulvic acid for U(IV). Scatchard plots for the uranium-organic acid systems indicate two types of binding sites with a difference in stability constants of about 10 2 . Ultrafiltration of uranium-humic acid complexes indicates that U(VI) and U(IV) ions are concentrated in larger molecular size fractions (>5.1 nm) at pH less than or equal to 3 and in smaller molecular size fractions (in the range 5.1 to 3.1 nm and 2.4 to 1.9 nm) at pH greater than or equal to 5. 7 figures, 4 tables

  4. Adiponectin has a pivotal role in the cardioprotective effect of CP-3(iv), a selective CD36 azapeptide ligand, after transient coronary artery occlusion in mice.

    Science.gov (United States)

    Huynh, David N; Bessi, Valérie L; Ménard, Liliane; Piquereau, Jérôme; Proulx, Caroline; Febbraio, Maria; Lubell, William D; Carpentier, André C; Burelle, Yan; Ong, Huy; Marleau, Sylvie

    2018-02-01

    CD36 is a multiligand receptor involved in lipid metabolism. We investigated the mechanisms underlying the cardioprotective effect of CP-3(iv), an azapeptide belonging to a new class of selective CD36 ligands. The role of CP-3(iv) in mediating cardioprotection was investigated because CD36 signaling leads to activation of peroxisome proliferator-activated receptor-γ, a transcriptional regulator of adiponectin. CP-3(iv) pretreatment reduced infarct size by 54% and preserved hemodynamics in C57BL/6 mice subjected to 30 min coronary ligation and reperfusion but had no effect in CD36-deficient mice. The effects of CP-3(iv) were associated with an increase in circulating adiponectin levels, epididymal fat adiponectin gene expression, and adiponectin transcriptional regulators ( Pparg, Cebpb, Sirt1) after 6 h of reperfusion. Reduced myocardial oxidative stress and apoptosis were observed along with an increase in expression of myocardial adiponectin target proteins, including cyclooxygenase-2, phospho-AMPK, and phospho-Akt. Moreover, CP-3(iv) increased myocardial performance in isolated hearts, whereas blockade of adiponectin with an anti-adiponectin antibody abrogated it. CP-3(iv) exerts cardioprotection against myocardial ischemia and reperfusion (MI/R) injury and dysfunction, at least in part, by increasing circulating and myocardial adiponectin levels. Hence, both paracrine and endocrine effects of adiponectin may contribute to reduced reactive oxygen species generation and apoptosis after MI/R, in a CD36-dependent manner.-Huynh, D. N., Bessi, V. L., Ménard, L., Piquereau, J., Proulx, C., Febbraio, M., Lubell, W. D., Carpentier, A. C., Burelle, Y., Ong, H., Marleau, S. Adiponectin has a pivotal role in the cardioprotective effect of CP-3(iv), a selective CD36 azapeptide ligand, after transient coronary artery occlusion in mice.

  5. Electron angular distribution axial channeling

    International Nuclear Information System (INIS)

    Khokonov, A.Kh.; Khokonov, M.Kh.

    1989-01-01

    Angular distributions of ultra-relativistic electrons are calculated in the assumption about presence of statistical equilibrium. Analysis is based on numerical solution of Fokker-Planck type kinetic equation. It is shown that in contrast to case of amorphous medium, the multiple scattering at axial channeling of negative particles results in self-focusing of the initial beam particles and due to it number of electrons moving at an angles to the chain, which are smaller, than critical angle of channeling, may increase by several times as compared to the initial one

  6. Effects of sigma(1) receptor ligand, MS-377 on apomorphine- or phencyclidine-induced disruption of prepulse inhibition of acoustic startle in rats.

    Science.gov (United States)

    Yamada, S; Yamauchi, K; Hisatomi, S; Annoh, N; Tanaka, M

    2000-08-25

    To evaluate the antipsychotic property of a sigma(1) receptor ligand, (R)-(+)-1-(4-chlorophenyl)-3-¿4-(2-methoxyethyl)piperazin-1-yl¿ methyl-2-pyrrolidinone-L-tartrate (MS-377), an antagonistic effect of MS-377 on the disruption of prepulse inhibition (PPI) of the acoustic startle by apomorphine or phencyclidine (PCP) was investigated in rats. MS-377 antagonized the PCP-induced disruption of PPI. The ED(50) value of MS-377 for this effect was 0.66 mg/kg. In contrast, apomorphine-induced disruption of PPI was not attenuated by MS-377. These data indicate that the PCP-induced disruption of PPI in rats would be, at least partially, mediated by sigma receptors and MS-377 could be a novel anti-psychotic agent with clinical efficacy for the sensorimotor-gating deficit in schizophrenia.

  7. Effect of Partial Shrouds on the Performance and Flow Field of a Low-Aspect-Ratio Axial-Flow Fan Rotor

    Directory of Open Access Journals (Sweden)

    N. Sitaram

    2011-01-01

    Full Text Available The flow field at the rotor exit of a low aspect ratio axial flow fan for different tip geometries and for different flow coefficients is measured in the present study. The following configurations are tested: (1 rotor without partial shroud, designated as rotor (wos, (2 rotor with partial shroud, designated as rotor (ws, and (3 rotor with perforated (perforations in the shape of discrete circular holes partial shroud, designated as rotor (wps. From steady state measurements, the performance of rotor (wps is found to be the best. Both the rotors with partial shrouds have stalled at a higher flow coefficient compared to that of rotor (wos. From periodic flow measurements, it is concluded that the low velocity region near the tip section is considerably reduced with the use of partial shrouds with perforations. The extent of this low velocity region for both rotor (wos and rotor (wps increases with decreasing flow coefficient due to increased stage loading. This core of low momentum fluid has moved inwards of the annulus and towards the pressure side as the flow coefficient decreases. The extent of the low momentum fluid is smaller for rotor (wps than that of rotor (wos at all flow coefficients.

  8. The Effects of Triggering Mechanisms on the Energy Absorption Capability of Circular Jute/Epoxy Composite Tubes under Quasi-Static Axial Loading

    Science.gov (United States)

    Sivagurunathan, Rubentheran; Lau Tze Way, Saijod; Sivagurunathan, Linkesvaran; Yaakob, Mohd. Yuhazri

    2018-01-01

    The usage of composite materials have been improving over the years due to its superior mechanical properties such as high tensile strength, high energy absorption capability, and corrosion resistance. In this present study, the energy absorption capability of circular jute/epoxy composite tubes were tested and evaluated. To induce the progressive crushing of the composite tubes, four different types of triggering mechanisms were used which were the non-trigger, single chamfered trigger, double chamfered trigger and tulip trigger. Quasi-static axial loading test was carried out to understand the deformation patterns and the load-displacement characteristics for each composite tube. Besides that, the influence of energy absorption, crush force efficiency, peak load, mean load and load-displacement history were examined and discussed. The primary results displayed a significant influence on the energy absorption capability provided that stable progressive crushing occurred mostly in the triggered tubes compared to the non-triggered tubes. Overall, the tulip trigger configuration attributed the highest energy absorption.

  9. Impact of protein and ligand impurities on ITC-derived protein-ligand thermodynamics.

    Science.gov (United States)

    Grüner, Stefan; Neeb, Manuel; Barandun, Luzi Jakob; Sielaff, Frank; Hohn, Christoph; Kojima, Shun; Steinmetzer, Torsten; Diederich, François; Klebe, Gerhard

    2014-09-01

    The thermodynamic characterization of protein-ligand interactions by isothermal titration calorimetry (ITC) is a powerful tool in drug design, giving valuable insight into the interaction driving forces. ITC is thought to require protein and ligand solutions of high quality, meaning both the absence of contaminants as well as accurately determined concentrations. Ligands synthesized to deviating purity and protein of different pureness were titrated by ITC. Data curation was attempted also considering information from analytical techniques to correct stoichiometry. We used trypsin and tRNA-guanine transglycosylase (TGT), together with high affinity ligands to investigate the effect of errors in protein concentration as well as the impact of ligand impurities on the apparent thermodynamics. We found that errors in protein concentration did not change the thermodynamic properties obtained significantly. However, most ligand impurities led to pronounced changes in binding enthalpy. If protein binding of the respective impurity is not expected, the actual ligand concentration was corrected for and the thus revised data compared to thermodynamic properties obtained with the respective pure ligand. Even in these cases, we observed differences in binding enthalpy of about 4kJ⋅mol(-1), which is considered significant. Our results indicate that ligand purity is the critical parameter to monitor if accurate thermodynamic data of a protein-ligand complex are to be recorded. Furthermore, artificially changing fitting parameters to obtain a sound interaction stoichiometry in the presence of uncharacterized ligand impurities may lead to thermodynamic parameters significantly deviating from the accurate thermodynamic signature. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Effects of Mutations and Ligands on the Thermostability of the l-Arginine/Agmatine Antiporter AdiC and Deduced Insights into Ligand-Binding of Human l-Type Amino Acid Transporters

    Directory of Open Access Journals (Sweden)

    Hüseyin Ilgü

    2018-03-01

    Full Text Available The l-arginine/agmatine transporter AdiC is a prokaryotic member of the SLC7 family, which enables pathogenic enterobacteria to survive the extremely acidic gastric environment. Wild-type AdiC from Escherichia coli, as well as its previously reported point mutants N22A and S26A, were overexpressed homologously and purified to homogeneity. A size-exclusion chromatography-based thermostability assay was used to determine the melting temperatures (Tms of the purified AdiC variants in the absence and presence of the selected ligands l-arginine (Arg, agmatine, l-arginine methyl ester, and l-arginine amide. The resulting Tms indicated stabilization of AdiC variants upon ligand binding, in which Tms and ligand binding affinities correlated positively. Considering results from this and previous studies, we revisited the role of AdiC residue S26 in Arg binding and proposed interactions of the α-carboxylate group of Arg exclusively with amide groups of the AdiC backbone. In the context of substrate binding in the human SLC7 family member l-type amino acid transporter-1 (LAT1; SLC7A5, an analogous role of S66 in LAT1 to S26 in AdiC is discussed based on homology modeling and amino acid sequence analysis. Finally, we propose a binding mechanism for l-amino acid substrates to LATs from the SLC7 family.

  11. Effects of Mutations and Ligands on the Thermostability of the l-Arginine/Agmatine Antiporter AdiC and Deduced Insights into Ligand-Binding of Human l-Type Amino Acid Transporters.

    Science.gov (United States)

    Ilgü, Hüseyin; Jeckelmann, Jean-Marc; Colas, Claire; Ucurum, Zöhre; Schlessinger, Avner; Fotiadis, Dimitrios

    2018-03-20

    The l-arginine/agmatine transporter AdiC is a prokaryotic member of the SLC7 family, which enables pathogenic enterobacteria to survive the extremely acidic gastric environment. Wild-type AdiC from Escherichia coli, as well as its previously reported point mutants N22A and S26A, were overexpressed homologously and purified to homogeneity. A size-exclusion chromatography-based thermostability assay was used to determine the melting temperatures ( T m s) of the purified AdiC variants in the absence and presence of the selected ligands l-arginine (Arg), agmatine, l-arginine methyl ester, and l-arginine amide. The resulting T m s indicated stabilization of AdiC variants upon ligand binding, in which T m s and ligand binding affinities correlated positively. Considering results from this and previous studies, we revisited the role of AdiC residue S26 in Arg binding and proposed interactions of the α-carboxylate group of Arg exclusively with amide groups of the AdiC backbone. In the context of substrate binding in the human SLC7 family member l-type amino acid transporter-1 (LAT1; SLC7A5), an analogous role of S66 in LAT1 to S26 in AdiC is discussed based on homology modeling and amino acid sequence analysis. Finally, we propose a binding mechanism for l-amino acid substrates to LATs from the SLC7 family.

  12. Axially alignable nuclear fuel pellets

    International Nuclear Information System (INIS)

    Johansson, E.B.; Klahn, D.H.; Marlowe, M.O.

    1978-01-01

    An axially alignable nuclear fuel pellet of the type stacked in end-to-end relationship within a tubular cladding is described. Fuel cladding failures can occur at pellet interface locations due to mechanical interaction between misaligned fuel pellets and the cladding. Mechanical interaction between the cladding and the fuel pellets loads the cladding and causes increased cladding stresses. Nuclear fuel pellets are provided with an end structure that increases plastic deformation of the pellets at the interface between pellets so that lower alignment forces are required to straighten axially misaligned pellets. Plastic deformation of the pellet ends results in less interactions beween the cladding and the fuel pellets and significantly lowers cladding stresses. The geometry of pellets constructed according to the invention also reduces alignment forces required to straighten fuel pellets that are tilted within the cladding. Plastic deformation of the pellets at the pellet interfaces is increased by providing pellets with at least one end face having a centrally-disposed raised area of convex shape so that the mean temperature and shear stress of the contact area is higher than that of prior art pellets

  13. Exact axially symmetric galactic dynamos

    Science.gov (United States)

    Henriksen, R. N.; Woodfinden, A.; Irwin, J. A.

    2018-05-01

    We give a selection of exact dynamos in axial symmetry on a galactic scale. These include some steady examples, at least one of which is wholly analytic in terms of simple functions and has been discussed elsewhere. Most solutions are found in terms of special functions, such as associated Lagrange or hypergeometric functions. They may be considered exact in the sense that they are known to any desired accuracy in principle. The new aspect developed here is to present scale-invariant solutions with zero resistivity that are self-similar in time. The time dependence is either a power law or an exponential factor, but since the geometry of the solution is self-similar in time we do not need to fix a time to study it. Several examples are discussed. Our results demonstrate (without the need to invoke any other mechanisms) X-shaped magnetic fields and (axially symmetric) magnetic spiral arms (both of which are well observed and documented) and predict reversing rotation measures in galaxy haloes (now observed in the CHANG-ES sample) as well as the fact that planar magnetic spirals are lifted into the galactic halo.

  14. Anti-analgesic effect of the mu/delta opioid receptor heteromer revealed by ligand-biased antagonism.

    Directory of Open Access Journals (Sweden)

    Laura Milan-Lobo

    Full Text Available Delta (DOR and mu opioid receptors (MOR can complex as heteromers, conferring functional properties in agonist binding, signaling and trafficking that can differ markedly from their homomeric counterparts. Because of these differences, DOR/MOR heteromers may be a novel therapeutic target in the treatment of pain. However, there are currently no ligands selective for DOR/MOR heteromers, and, consequently, their role in nociception remains unknown. In this study, we used a pharmacological opioid cocktail that selectively activates and stabilizes the DOR/MOR heteromer at the cell surface by blocking its endocytosis to assess its role in antinociception. We found that mice treated chronically with this drug cocktail showed a significant right shift in the ED50 for opioid-mediated analgesia, while mice treated with a drug that promotes degradation of the heteromer did not. Furthermore, promoting degradation of the DOR/MOR heteromer after the right shift in the ED50 had occurred, or blocking signal transduction from the stabilized DOR/MOR heteromer, shifted the ED50 for analgesia back to the left. Taken together, these data suggest an anti-analgesic role for the DOR/MOR heteromer in pain. In conclusion, antagonists selective for DOR/MOR heteromer could provide an avenue for alleviating reduced analgesic response during chronic pain treatment.

  15. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO) 2I 2 complex

    Science.gov (United States)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-11-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [ trans-I-Ru(dcbpy)(CO) 2I 2] (dcbpy= 4,4 '-dicarboxy-2,2 '-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [ cis-I-Ru(dcbpy)(CO)(Sol)I 2] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

  16. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex

    International Nuclear Information System (INIS)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-01-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO) 2 I 2 ] (dcbpy4,4 ' -dicarboxy-2,2 ' -bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I 2 ] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1 ) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes

  17. Effect of Organic Fe-Ligands, Released by Emiliania huxleyi, on Fe(II Oxidation Rate in Seawater Under Simulated Ocean Acidification Conditions: A Modeling Approach

    Directory of Open Access Journals (Sweden)

    Guillermo Samperio-Ramos

    2018-06-01

    Full Text Available The potential effect of ocean acidification on the exudation of organic matter by phytoplankton and, consequently, on the iron redox chemistry is largely unknown. In this study, the coccolithophorid Emiliania huxleyi was exposed to different pCO2 conditions (225–900 μatm, in order to determine the role of natural organic ligands on the Fe(II oxidation rate. Oxidation kinetics of Fe(II were studied as a function of pH (7.75–8.25 and dissolved organic carbon levels produced (0–141.11 μmol C L−1 during the different growth stages. The Fe(II oxidation rate always decreased in the presence of exudates as compared to that in the exudates-free seawater. The organic ligands present in the coccolithophorid exudates were responsible for this decrease. The oxidation of Fe(II in artificial seawater was also investigated at nanomolar levels over a range of pH (7.75–8.25 at 25°C in the presence of different glucuronic acid concentrations. Dissolved uronic acids (DUA slightly increased the experimental rate compared to control artificial seawater (ASW which can be ascribed to the stabilization of the oxidized form by chelation. This behavior was a function of the Fe(II:DUA ratio and was a pH dependent process. A kinetic model in ASW, with a single organic ligand, was applied for computing the equilibrium constant (log KFeCHO+ = 3.68 ± 0.81 M−1 and the oxidation rate (log kFeCHO+ = 3.28 ± 0.41 M−1 min−1 for the Fe(II-DUA complex (FeCHO+, providing an excellent description of data obtained over a wide range of DUA concentrations and pH conditions. Considering the Marcus theory the Fe(III complexing constant with DUA was limited to between 1013 and 1016. For the seawater enriched with exudates of E. huxleyi a second kinetic modeling approach was carried out for fitting the Fe(II speciation, and the contribution of each Fe(II species to the overall oxidation rate as a function of the pH/pCO2 conditions. The influence of organic ligands in the

  18. Axial power deviation control strategy and computer simulation for Daya Bay Nuclear Power Station

    International Nuclear Information System (INIS)

    Liao Yehong; Zhou Xiaoling, Xiao Min

    2004-01-01

    Daya Bay Nuclear Power Station has very tight operation diagram especially at its right side. Therefore the successful control of axial power deviation for PWR is crucial to nuclear safety. After analyzing various core characters' effect on axial power distribution, several axial power deviation control strategies has been proposed to comply with different power varying operation scenario. Application and computer simulation of the strategies has shown that our prediction of axial power deviation evolution are comparable to the measurement values, and that our control strategies are effective. Engineering experience shows that the application of our methodology can predict accurately the transient of axial power deviation, and therefore has become a useful tool for reactor operation and safety control. This paper presents the axial power control characteristics, reactor operation strategy research, computer simulation, and comparison to measurement results in Daya Bay Nuclear Power Station. (author)

  19. Axial tomography in live cell laser microscopy

    Science.gov (United States)

    Richter, Verena; Bruns, Sarah; Bruns, Thomas; Weber, Petra; Wagner, Michael; Cremer, Christoph; Schneckenburger, Herbert

    2017-09-01

    Single cell microscopy in a three-dimensional (3-D) environment is reported. Cells are grown in an agarose culture gel, located within microcapillaries and observed from different sides after adaptation of an innovative device for sample rotation. Thus, z-stacks can be recorded by confocal microscopy in different directions and used for illustration in 3-D. This gives additional information, since cells or organelles that appear superimposed in one direction, may be well resolved in another one. The method is tested and validated with single cells expressing a membrane or a mitochondrially associated green fluorescent protein, or cells accumulating fluorescent quantum dots. In addition, axial tomography supports measurements of cellular uptake and distribution of the anticancer drug doxorubicin in the nucleus (2 to 6 h after incubation) or the cytoplasm (24 h). This paper discusses that upon cell rotation an enhanced optical resolution in lateral direction compared to axial direction can be utilized to obtain an improved effective 3-D resolution, which represents an important step toward super-resolution microscopy of living cells.

  20. Axial vessel widening in arborescent monocots.

    Science.gov (United States)

    Petit, Giai; DeClerck, Fabrice A J; Carrer, Marco; Anfodillo, Tommaso

    2014-02-01

    Dicotyledons have evolved a strategy to compensate for the increase in hydraulic resistance to water transport with height growth by widening xylem conduits downwards. In monocots, the accumulation of hydraulic resistance with height should be similar, but the absence of secondary growth represents a strong limitation for the maintenance of xylem hydraulic efficiency during ontogeny. The hydraulic architecture of monocots has been studied but it is unclear how monocots arrange their axial vascular structure during ontogeny to compensate for increases in height. We measured the vessel lumina and estimated the hydraulic diameter (Dh) at different heights along the stem of two arborescent monocots, Bactris gasipaes (Kunth) and Guadua angustifolia (Kunth). For the former, we also estimated the variation in Dh along the leaf rachis. Hydraulic diameter increased basally from the stem apex to the base with a scaling exponent (b) in the range of those reported for dicot trees (b = 0.22 in B. gasipaes; b = 0.31 and 0.23 in G. angustifolia). In B. gasipaes, vessels decrease in Dh from the stem's centre towards the periphery, an opposite pattern compared with dicot trees. Along the leaf rachis, a pattern of increasing Dh basally was also found (b = 0.13). The hydraulic design of the monocots studied revealed an axial pattern of xylem conduits similar to those evolved by dicots to compensate and minimize the negative effect of root-to-leaf length on hydrodynamic resistance to water flow.

  1. Improved Oxygen Reduction Activity and Durability of Dealloyed PtCox Catalysts for Proton Exchange Membrane Fuel Cells: Strain, Ligand, and Particle Size Effects

    Science.gov (United States)

    Jia, Qingying; Caldwell, Keegan; Strickland, Kara; Ziegelbauer, Joseph M.; Liu, Zhongyi; Yu, Zhiqiang; Ramaker, David E.; Mukerjee, Sanjeev

    2015-01-01

    The development of active and durable catalysts with reduced platinum content is essential for fuel cell commercialization. Herein we report that the dealloyed PtCo/HSC and PtCo3/HSC nanoparticle (NP) catalysts exhibit the same levels of enhancement in oxygen reduction activity (~4-fold) and durability over pure Pt/C NPs. Surprisingly, ex situ high-angle annular dark field scanning transmission electron microscopy (HAADF STEM) shows that the bulk morphologies of the two catalysts are distinctly different: D-PtCo/HSC catalyst is dominated by NPs with solid Pt shells surrounding a single ordered PtCo core; however, the D-PtCo3/HSC catalyst is dominated by NPs with porous Pt shells surrounding multiple disordered PtCo cores with local concentration of Co. In situ X-ray absorption spectroscopy (XAS) reveals that these two catalysts possess similar Pt–Pt and Pt–Co bond distances and Pt coordination numbers (CNs), despite their dissimilar morphologies. The similar activity of the two catalysts is thus ascribed to their comparable strain, ligand, and particle size effects. Ex situ XAS performed on D-PtCo3/HSC under different voltage cycling stage shows that the continuous dissolution of Co leaves behind the NPs with a Pt-like structure after 30k cycles. The attenuated strain and/or ligand effects caused by Co dissolution are presumably counterbalanced by the particle size effects with particle growth, which likely accounts for the constant specific activity of the catalysts along with voltage cycling. PMID:26413384

  2. Evaluation of efficiency of axial profiling in WWER-440 fuel assemblies

    International Nuclear Information System (INIS)

    Ananjev, Yu. A.; Kurakin, K. Yu.; Artemov, V.G.; Ivanov, A.S.

    2005-01-01

    The present report deals with consideration of fuel enrichment axial profiling in WWER-440 assemblies. The study is performed on improving the effectiveness of fuel utilization using the example of implementing the axial profiling in the assemblies of the second generation. For simulation of fuel loadings the computer code package SAPFIR 9 5 and RC is used that allows for correct consideration of specific features of assemblies design changes. The methodical approach to assessment of effectiveness of implementing the axial profiling is considered with the use of capabilities of the mentioned code package. In conclusion the recommendations are given on using the fuel enrichment axial profiling in WWER-440 assemblies (Authors)

  3. Thermocapillary Convection in Floating Zone with Axial Magnetic Fields

    Science.gov (United States)

    Liang, Ruquan; Yang, Shuo; Li, Jizhao

    2014-02-01

    Numerical simulations on the effects of axial magnetic fields on the thermocapillary convection in a liquid bridge of silicone-oil-based ferrofluid under zero gravity have been conducted. The Navier-Stokes equations coupled with the energy conservation equation are solved on a staggered grid, and the mass conserving level set approach is used to capture the free surface deformation of the liquid bridge. The obvious effects of the magnetic fields on the flow pattern as well as the velocity and temperature distributions in the liquid bridge can be detected. The axial magnetic fields suppress the thermocapillary convection and a stagnant flow zone is formed between the circulating flow and the symmetric axis as the magnetic fields increase. The axial magnetic fields affect not only the velocity level inside the liquid bridge but also the velocity level on the free surface. The temperature contours near the free surface illustrates conduction-type temperature profiles at moderate strength fields.

  4. Linear optical response of carbon nanotubes under axial magnetic field

    Science.gov (United States)

    Moradian, Rostam; Chegel, Raad; Behzad, Somayeh

    2010-04-01

    We considered single walled carbon naotubes (SWCNTs) as real three dimensional (3D) systems in a cylindrical coordinate. The optical matrix elements and linear susceptibility, χ(ω), in the tight binding approximation in terms of one-dimensional wave vector, kz and subband index, l are calculated. In an external axial magnetic field optical frequency dependence of linear susceptibility are investigated. We found that axial magnetic field has two effects on the imaginary part of the linear susceptibility spectrum, in agreement with experimental results. The first effect is broadening and the second, splitting. Also we found that for all metallic zigzag and armchair SWCNTs, the axial magnetic field leads to the creation of a peak with energy less than 1.5 eV, contrary to what is observed in the absence of a magnetic field.

  5. Synthesis and characterization β-ketoamine ligands

    Science.gov (United States)

    Zaid, Nurzati Amani Mohamed; Hassan, Nur Hasyareeda; Karim, Nurul Huda Abd

    2018-04-01

    β-ketoamine ligands are important members of heterodonor ligand because of their ease of preparation and modification of both steric and/or electronic effects. Complexes with β-ketoamine has received much less attention and there has been no study about this complex with β-ketoamine in ionic liquid reported. Two type of β-ketoamine ligands which are 4-amino-3-pentene-2-onato (A) and 3-amino-2-butenoic acid methyl ester (B) have been synthesized in this work. The resulting compound formed was characterized using standard spectroscopic and structural techniques which includes 1H and 13C, NMR spectroscopy and FTIR spectroscopy. The 1H and 13C NMR spectrum displayed all the expected signals with correct integration and multiplicity. And it is proved that there are some differences between two ligands as observed in NMR and FTIR spectrum.

  6. Ligand solvation effect on Dy3+ complexing with benzoic, p-, o-, m-aminobenzoic, 4-pyridinecarboxylic acids., and with pyridine and 4-aminopyridine in aqua and aqua-organic media

    International Nuclear Information System (INIS)

    Elistratova, Yu.G.; Mustafina, A.R.; Devyatov, F.V.; Sarvarova, N.N.

    1996-01-01

    Substituent effect on stability of Dy 3+ complexes with aminobenzoic acids (o , p-, m-isomers), pyridinecarboxylic acids and p-aminopyridine was estimated on the base of pH-metric and magnetooptic data. It was concluded that the more the efficiency of ligand's solvation the less the substituent effects the complex stability. 15 refs., 3 figs., 2 tabs

  7. Development of molecular tools based on the dopamine D3 receptor ligand FAUC 329 showing inhibiting effects on drug and food maintained behavior.

    Science.gov (United States)

    Stößel, Anne; Brox, Regine; Purkayastha, Nirupam; Hübner, Harald; Hocke, Carsten; Prante, Olaf; Gmeiner, Peter

    2017-07-01

    Dopamine D 3 receptor-mediated networks have been associated with a wide range of neuropsychiatric diseases, drug addiction and food maintained behavior, which makes D 3 a highly promising biological target. The previously described dopamine D 3 receptor ligand FAUC 329 (1) showed protective effects against dopamine depletion in a MPTP mouse model of Parkinson's disease. We used the radioligand [ 18 F]2, a [ 18 F]fluoroethoxy substituted analog of the lead compound 1 as a molecular tool for visualization of D 3 -rich brain regions including the islands of Calleja. Furthermore, structural modifications are reported leading to the pyrimidylpiperazine derivatives 3 and 9 displaying superior subtype selectivity and preference over serotonergic receptors. Evaluation of the lead compound 1 on cocaine-seeking behavior in non-human primates showed a substantial reduction in cocaine self-administration behavior and food intake. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Precautions against axial fan stall in reactor building to Tianwan NPP

    International Nuclear Information System (INIS)

    Liu Chunlong; Pei Junmin

    2011-01-01

    The paper introduces the mechanism and harm of rotating stall of axial fans, analyzes the necessity for prevention against axial fan stall in reactor building of Tianwan NPP, introduces the precautions, and then makes an assessment on anti-stall effect of flow separators. It can provide reference for model-selection or reconstruction of similar fans in power stations, and for operation and maintenance of axial fans. (authors)

  9. Effects of Coordinating a Hemilabile Ligand to 14e Cp*M(NO) Scaffolds (M = Mo, W).

    Science.gov (United States)

    Handford, Rex C; Patrick, Brian O; Legzdins, Peter

    2017-10-16

    This article describes the differing chemical properties imparted by the two ligands, hemilabile 2-[(diisopropylphosphino)methyl]-3-methylpyridine ( i Pr 2 PN) and the related 1,2-bis(dimethylphosphino)ethane (dmpe), when attached to the 14e Cp*M(NO) scaffolds (Cp* = η 5 -C 5 Me 5 ; M = W, Mo). For instance, the treatment of [Cp*W(NO)Cl 2 ] 2 with 2 or 1 equiv of dmpe in C 6 H 6 affords excellent yields of [Cp*W(NO)(κ 2 -dmpe)Cl]Cl (1) or [Cp*W(NO)Cl 2 ] 2 [μ-dmpe] (2). In contrast, the treatment of [Cp*W(NO)Cl 2 ] 2 with 1 equiv of i Pr 2 PN in C 6 H 6 does not produce the complex analogous to 1 but rather affords orange [Cp*W(NO)(κ 2 -P-N- i Pr 2 PN)Cl][Cp*W(NO)Cl 3 ] (3) in 90% yield. Furthermore, subsequent reduction of 1 or 2 with 2 or 4 equiv of Cp 2 Co in tetrahydrofuran (THF), respectively, results in the production of orange Cp*W(NO)(κ 2 -dmpe) (4) in good yields. However, a similar treatment of 3 with 1 equiv of Cp 2 Co in THF does not result in the production of Cp*W(NO)(κ 2 -P,N- i Pr 2 PN), the analogue of 4, but rather generates a 1:1 mixture of the novel complexes Cp*W(NO)(H)(κ 1 -P- i Pr 2 PN)Cl (5) and Cp*W(NO)(κ 2 -P,N- i Pr 2 PCH-2-(3-Me-C 5 H 3 N))Cl (6), which are separable by crystallization from pentane and diethyl ether solutions, respectively. The divergent reactivity imparted by the dmpe and i Pr 2 PN proligands is a unique demonstration of the unusual properties of a mixed-donor ligand. In the case of molybdenum, the reaction of [Cp*Mo(NO)Cl 2 ] 2 with 2 equiv of i Pr 2 PN in C 6 H 6 first forms Cp*Mo(NO)(κ 1 -P- i Pr 2 PN)Cl 2 , which then converts to [Cp*Mo(NO)(κ 2 -P,N- i Pr 2 PN)Cl][Cp*Mo(NO)Cl 3 ], the analogue of 3. Reduction of the Cp*Mo(NO)(κ 1 -P- i Pr 2 PN)Cl 2 intermediate complex with 2 equiv of Cp 2 Co affords dark-green Cp*Mo(NO)(κ 2 -P,N- i Pr 2 PN) (7). All new complexes have been characterized by conventional spectroscopic and analytical methods, and the solid-state molecular structures of most of them have

  10. Redox Cycling, pH Dependence, and Ligand Effects of Mn(III) in Oxalate Decarboxylase from Bacillus subtilis.

    Science.gov (United States)

    Twahir, Umar T; Ozarowski, Andrew; Angerhofer, Alexander

    2016-11-29

    This contribution describes electron paramagnetic resonance (EPR) experiments on Mn(III) in oxalate decarboxylase of Bacillus subtilis, an interesting enzyme that catalyzes the redox-neutral dissociation of oxalate into formate and carbon dioxide. Chemical redox cycling provides strong evidence that both Mn centers can be oxidized, although the N-terminal Mn(II) appears to have the lower reduction potential and is most likely the carrier of the +3 oxidation state under moderate oxidative conditions, in agreement with the general view that it represents the active site. Significantly, Mn(III) was observed in untreated OxDC in succinate and acetate buffers, while it could not be directly observed in citrate buffer. Quantitative analysis showed that up to 16% of the EPR-visible Mn is in the +3 oxidation state at low pH in the presence of succinate buffer. The fine structure and hyperfine structure parameters of Mn(III) are affected by small carboxylate ligands that can enter the active site and have been recorded for formate, acetate, and succinate. The results from a previous report [Zhu, W., et al. (2016) Biochemistry 55, 429-434] could therefore be reinterpreted as evidence of formate-bound Mn(III) after the enzyme is allowed to turn over oxalate. The pH dependence of the Mn(III) EPR signal compares very well with that of enzymatic activity, providing strong evidence that the catalytic reaction of oxalate decarboxylase is driven by Mn(III), which is generated in the presence of dioxygen.

  11. Platelet CLEC-2 protects against lung injury via effects of its ligand podoplanin on inflammatory alveolar macrophages in the mouse.

    Science.gov (United States)

    Lax, Siân; Rayes, Julie; Wichaiyo, Surasak; Haining, Elizabeth J; Lowe, Kate; Grygielska, Beata; Laloo, Ryan; Flodby, Per; Borok, Zea; Crandall, Edward D; Thickett, David R; Watson, Steve P

    2017-12-01

    There is no therapeutic intervention proven to prevent acute respiratory distress syndrome (ARDS). Novel mechanistic insights into the pathophysiology of ARDS are therefore required. Platelets are implicated in regulating many of the pathogenic processes that occur during ARDS; however, the mechanisms remain elusive. The platelet receptor CLEC-2 has been shown to regulate vascular integrity at sites of acute inflammation. Therefore the purpose of this study was to establish the role of CLEC-2 and its ligand podoplanin in a mouse model of ARDS. Platelet-specific CLEC-2-deficient, as well as alveolar epithelial type I cell (AECI)-specific or hematopoietic-specific podoplanin deficient, mice were established using cre-loxP strategies. Combining these with intratracheal (IT) instillations of lipopolysaccharide (LPS), we demonstrate that arterial oxygen saturation decline in response to IT-LPS in platelet-specific CLEC-2-deficient mice is significantly augmented. An increase in bronchoalveolar lavage (BAL) neutrophils and protein was also observed 48 h post-IT-LPS, with significant increases in pro-inflammatory chemokines detected in BAL of platelet-specific CLEC-2-deficient animals. Deletion of podoplanin from hematopoietic cells but not AECIs also reduces lung function and increases pro-inflammatory chemokine expression following IT-LPS. Furthermore, we demonstrate that following IT-LPS, platelets are present in BAL in aggregates with neutrophils, which allows for CLEC-2 interaction with podoplanin expressed on BAL inflammatory alveolar macrophages. Taken together, these data suggest that the platelet CLEC-2-podoplanin signaling axis regulates the severity of lung inflammation in mice and is a possible novel target for therapeutic intervention in patients at risk of developing ARDS. Copyright © 2017 the American Physiological Society.

  12. Axial vector mass spectrum and mixing angles

    International Nuclear Information System (INIS)

    Caffarelli, R.V.; Kang, K.

    1976-01-01

    Spectral sum rules of the axial-vector current and axial-vector current-pseudoscalar field are used to study the axial-vector mass spectrum and mixing angles, as well as the decay constants and mixing angles of the pseudoscalar mesons. In general, the result is quite persuasive for the existence of the Jsup(PC) = 1 ++ multiplet in which one has a canonical D-E mixing. (Auth.)

  13. Electric machines with axial magnetic flux

    Science.gov (United States)

    Nuca, I.; Ambros, T.; Burduniuc, M.; Deaconu, S. I.; Turcanu, A.

    2018-01-01

    The paper contains information on the performance of axial machines compared to cylindrical ones. At the same time, various constructive schemes of synchronous electromechanical converters with permanent magnets and asynchronous with short-circuited rotor are presented. In the developed constructions, the aim is to maximize the usage of the material of the stator windings. The design elements of the axial machine magnetic system are presented. The FEMM application depicted the array of the magnetic field of an axial machine.

  14. Analysis of axial compressive loaded beam under random support excitations

    Science.gov (United States)

    Xiao, Wensheng; Wang, Fengde; Liu, Jian

    2017-12-01

    An analytical procedure to investigate the response spectrum of a uniform Bernoulli-Euler beam with axial compressive load subjected to random support excitations is implemented based on the Mindlin-Goodman method and the mode superposition method in the frequency domain. The random response spectrum of the simply supported beam subjected to white noise excitation and to Pierson-Moskowitz spectrum excitation is investigated, and the characteristics of the response spectrum are further explored. Moreover, the effect of axial compressive load is studied and a method to determine the axial load is proposed. The research results show that the response spectrum mainly consists of the beam's additional displacement response spectrum when the excitation is white noise; however, the quasi-static displacement response spectrum is the main component when the excitation is the Pierson-Moskowitz spectrum. Under white noise excitation, the amplitude of the power spectral density function decreased as the axial compressive load increased, while the frequency band of the vibration response spectrum increased with the increase of axial compressive load.

  15. Continuous millennial decrease of the Earth's magnetic axial dipole

    Science.gov (United States)

    Poletti, Wilbor; Biggin, Andrew J.; Trindade, Ricardo I. F.; Hartmann, Gelvam A.; Terra-Nova, Filipe

    2018-01-01

    Since the establishment of direct estimations of the Earth's magnetic field intensity in the first half of the nineteenth century, a continuous decay of the axial dipole component has been observed and variously speculated to be linked to an imminent reversal of the geomagnetic field. Furthermore, indirect estimations from anthropologically made materials and volcanic derivatives suggest that this decrease began significantly earlier than direct measurements have been available. Here, we carefully reassess the available archaeointensity dataset for the last two millennia, and show a good correspondence between direct (observatory/satellite) and indirect (archaeomagnetic) estimates of the axial dipole moment creating, in effect, a proxy to expand our analysis back in time. Our results suggest a continuous linear decay as the most parsimonious long-term description of the axial dipole variation for the last millennium. We thus suggest that a break in the symmetry of axial dipole moment advective sources occurred approximately 1100 years earlier than previously described. In addition, based on the observed dipole secular variation timescale, we speculate that the weakening of the axial dipole may end soon.

  16. Method to Measure Tone of Axial and Proximal Muscle

    Science.gov (United States)

    Gurfinkel, Victor S.; Cacciatore, Timothy W.; Cordo, Paul J.; Horak, Fay B.

    2011-01-01

    The control of tonic muscular activity remains poorly understood. While abnormal tone is commonly assessed clinically by measuring the passive resistance of relaxed limbs1, no systems are available to study tonic muscle control in a natural, active state of antigravity support. We have developed a device (Twister) to study tonic regulation of axial and proximal muscles during active postural maintenance (i.e. postural tone). Twister rotates axial body regions relative to each other about the vertical axis during stance, so as to twist the neck, trunk or hip regions. This twisting imposes length changes on axial muscles without changing the body's relationship to gravity. Because Twister does not provide postural support, tone must be regulated to counteract gravitational torques. We quantify this tonic regulation by the restive torque to twisting, which reflects the state of all muscles undergoing length changes, as well as by electromyography of relevant muscles. Because tone is characterized by long-lasting low-level muscle activity, tonic control is studied with slow movements that produce "tonic" changes in muscle length, without evoking fast "phasic" responses. Twister can be reconfigured to study various aspects of muscle tone, such as co-contraction, tonic modulation to postural changes, tonic interactions across body segments, as well as perceptual thresholds to slow axial rotation. Twister can also be used to provide a quantitative measurement of the effects of disease on axial and proximal postural tone and assess the efficacy of intervention. PMID:22214974

  17. Amphiregulin Antibody and Reduction of Axial Elongation in Experimental Myopia

    Directory of Open Access Journals (Sweden)

    Wen Jun Jiang

    2017-03-01

    Full Text Available To examine the mechanism of ocular axial elongation in myopia, guinea pigs (age: 2–3 weeks which either underwent unilateral or bilateral lens-induced myopization (group 1 or which were primarily myopic at baseline (group 2 received unilateral intraocular injections of amphiregulin antibody (doses: 5, 10, or 15 μg three times in intervals of 9 days. A third group of emmetropic guinea pigs got intraocular unilateral injections of amphiregulin (doses: 0.25, 0.50 or 1.00 ng, respectively. In each group, the contralateral eyes received intraocular injections of Ringer's solution. In intra-animal inter-eye comparison and intra-eye follow-up comparison in groups 1 and 2, the study eyes as compared to the contralateral eyes showed a dose-dependent reduction in axial elongation. In group 3, study eyes and control eyes did not differ significantly in axial elongation. Immunohistochemistry revealed amphiregulin labelling at the retinal pigment epithelium in eyes with lens-induced myopization and Ringer's solution injection, but not in eyes with amphiregulin antibody injection. Intraocular injections of amphiregulin-antibody led to a reduction of lens-induced axial myopic elongation and of the physiological eye enlargement in young guinea pigs. In contrast, intraocularly injected amphiregulin in a dose of ≤1 ng did not show a significant effect. Amphiregulin may be one of several essential molecular factors for axial elongation.

  18. Centrifugal and axial compressor control

    CERN Document Server

    McMillan, Gregory K

    2009-01-01

    Control engineers, mechanical engineers and mechanical technicians will learn how to select the proper control systems for axial and centrifugal compressors for proper throughput and surge control, with a particular emphasis on surge control. Readers will learn to understand the importance of transmitter speed, digital controller sample time, and control valve stroking time in helping to prevent surge. Engineers and technicians will find this book to be a highly valuable guide on compressor control schemes and the importance of mitigating costly and sometimes catastrophic surge problems. It can be used as a self-tutorial guide or in the classroom with the book's helpful end-of-chapter questions and exercises and sections for keeping notes.

  19. Axial channeling in electron diffraction

    International Nuclear Information System (INIS)

    Ichimiya, A.; Lehmpfuhl, G.

    1978-01-01

    Kossel patterns from Silicon and Niobium were obtained with a convergent electron beam. An intensity maximum in the direction of the zone axes [001] and [111] of Nb was interpreted as axial channeling. The intensity distribution in Kossel patterns was calculated by means of the Bloch wave picture of the dynamical theory of electron diffraction. Particularly zone axis patterns were calculated for different substance-energy combinations and they were compared with experimental observations. The intensity distribution in the calculated Kossel patterns was very sensitive to the model of absorption and it was found that a treatment of the absorption close to the model of Humphreys and Hirsch [Phil. Mag. 18, 115 (1968)] gave the best agreement with the experimental observations. Furthermore it is shown which Bloch waves are important for the intensity distribution in the Kossel patterns, how they are absorbed and how they change with energy. (orig.) [de

  20. Axial channeling of uttrarelativistic electrons

    Energy Technology Data Exchange (ETDEWEB)

    Telegin, V.I.; Khokonov, M.Kh. (Moskovskij Gosudarstvennyj Univ. (USSR). Nauchno-Issledovatel' skij Inst. Yadernoj Fiziki)

    1982-07-01

    The dynamics of motion of ultrarelativistic electrons under axial channeling conditions is investigated. The analysis is based on the solution of the kinetic equation obtained recently by Beloshitsky and Kumakhov. The particle dechanneling function is investigated as depending on the type of a crystal, particle energy and angle of entrance into the single crystal. It is found that for most of the beam the major diffusion mechanism is scattering by electrons. It is shown that an optimal depth range exists for which the fraction of channeled particles sharply increases at the expense of the quasi-channeled particles. In a number of cases the dechanneling length for crystals with high atomic numbers may be greater than that of light elements.

  1. Axial channeling of uttrarelativistic electrons

    International Nuclear Information System (INIS)

    Telegin, V.I.; Khokonov, M.Kh.

    1982-01-01

    The dynamics of motion of ultrarelativistic electrons under axial channeling conditions is investigated. The analysis is based on the solution of the kinetic equation obtained recently by Beloshitsky and Kumakhov. The particle dechanneling function is investigated as depending on the type of a crystal, particle energy and angle of entrance into the single crystal. It is found that for most of the beam the major diffusion mechanism is scattering by electrons. It is shown that an optimal depth range exists for which the fraction of channeled particles sharply increases at the expense of the quasi-channeled particles. In a number of cases the dechanneling length for crystals with high atomic numbers may be greater than that of light elements

  2. Bone Disease in Axial Spondyloarthritis.

    Science.gov (United States)

    Van Mechelen, Margot; Gulino, Giulia Rossana; de Vlam, Kurt; Lories, Rik

    2018-05-01

    Axial spondyloarthritis is a chronic inflammatory skeletal disorder with an important burden of disease, affecting the spine and sacroiliac joints and typically presenting in young adults. Ankylosing spondylitis, diagnosed by the presence of structural changes to the skeleton, is the prototype of this disease group. Bone disease in axial spondyloarthritis is a complex phenomenon with the coexistence of bone loss and new bone formation, both contributing to the morbidity of the disease, in addition to pain caused by inflammation. The skeletal structural changes respectively lead to increased fracture risk and to permanent disability caused by ankylosis of the sacroiliac joints and the spine. The mechanism of this new bone formation leading to ankylosis is insufficiently known. The process appears to originate from entheses, specialized structures that provide a transition zone in which tendon and ligaments insert into the underlying bone. Growth factor signaling pathways such as bone morphogenetic proteins, Wnts, and Hedgehogs have been identified as molecular drivers of new bone formation, but the relationship between inflammation and activation of these pathways remains debated. Long-standing control of inflammation appears necessary to avoid ankylosis. Recent evidence and concepts suggest an important role for biomechanical factors in both the onset and progression of the disease. With regard to new bone formation, these processes can be understood as ectopic repair responses secondary to inflammation-induced bone loss and instability. In this review, we discuss the clinical implications of the skeletal changes as well as the underlying molecular mechanisms, the relation between inflammation and new bone formation, and the potential role of biomechanical stress.

  3. Radial and axial compression of pure electron

    International Nuclear Information System (INIS)

    Park, Y.; Soga, Y.; Mihara, Y.; Takeda, M.; Kamada, K.

    2013-01-01

    Experimental studies are carried out on compression of the density distribution of a pure electron plasma confined in a Malmberg-Penning Trap in Kanazawa University. More than six times increase of the on-axis density is observed under application of an external rotating electric field that couples to low-order Trivelpiece-Gould modes. Axial compression of the density distribution with the axial length of a factor of two is achieved by controlling the confining potential at both ends of the plasma. Substantial increase of the axial kinetic energy is observed during the axial compression. (author)

  4. Probes of the metal-to-ligand charge-transfer excited states in ruthenium-Am(m)ine-bipyridine complexes: the effects of NH/ND and CH/CD isotopic substitution on the 77 K luminescence.

    Science.gov (United States)

    Chen, Yuan-Jang; Xie, Puhui; Endicott, John F; Odongo, Onduru S

    2006-06-29

    The effects of ligand perdeuteration on the metal-to-ligand charge-transfer (MLCT) excited-state emission properties at 77 K are described for several [Ru(L)(4)bpy](2+) complexes in which the emission process is nominally [uIII,bpy-] --> [RuII,bpy]. The perdeuteration of the 2,2'-bipyridine (bpy) ligand is found to increase the zero-point energy differences between the ground states and MLCT excited states by amounts that vary from 0 +/- 10 to 70 +/- 10 cm(-1) depending on the ligands L. This indicates that there are some vibrational modes with smaller force constants in the excited states than in the ground states for most of these complexes. These blue shifts increase approximately as the energy difference between the excited and ground states decreases, but they are otherwise not strongly correlated with the number of bipyridine ligands in the complex. Careful comparisons of the [Ru(L)(4)(d(8)-bpy)](2+) and [Ru(L)(4)(h(8)-bpy](2+) emission spectra are used to resolve the very weak vibronic contributions of the C-H stretching modes as the composite contributions of the corresponding vibrational reorganizational energies. The largest of these, 25 +/- 10 cm(-1), is found for the complexes with L = py or bpy/2 and smaller when L = NH(3). Perdeuteration of the am(m)ine ligands (NH(3), en, or [14]aneN(4)) has no significant effect on the zero-point energy difference, and the contributions of the NH stretching vibrational modes to the emission band shape are too weak to resolve. Ligand perdeuteration does increase the excited-state lifetimes by a factor that is roughly proportional to the excited-state-ground-state energy difference, even though the CH and NH vibrational reorganizational energies are too small for nuclear tunneling involving these modes to dominate the relaxation process. It is proposed that metal-ligand skeletal vibrational modes and configurational mixing between metal-centered, bpy-ligand-centered, and MLCT excited states are important in

  5. Synthesis and characterization of an iron complex bearing a cyclic tetra-N-heterocyclic carbene ligand: An artifical heme analogue?

    KAUST Repository

    Anneser, Markus R.

    2015-04-20

    An iron(II) complex with a cyclic tetradentate ligand containing four N-heterocyclic carbenes was synthesized and characterized by means of NMR and IR spectroscopies, as well as by single-crystal X-ray structure analysis. The iron center exhibits an octahedral coordination geometry with two acetonitrile ligands in axial positions, showing structural analogies with porphyrine-ligated iron complexes. The acetonitrile ligands can readily be substituted by other ligands, for instance, dimethyl sulfoxide, carbon monoxide, and nitric oxide. Cyclic voltammetry was used to examine the electronic properties of the synthesized compounds. © 2015 American Chemical Society.

  6. Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes.

    Science.gov (United States)

    Mandal, Debasish; Mallick, Dibyendu; Shaik, Sason

    2018-01-16

    identify the reactive-TS in terms of not only its spin state but also its geometry and ligand-sphere constitution. Since tunneling "cuts through" barriers, it serves as a chemical selectivity factor. Thus, we show that in a family of oxoirons reacting with one hydrocarbon, the tunneling efficiency increases as the ligands become better electron donors. This generates counterintuitive-reactivity patterns, like antielectrophilic reactivity, and induces spin-state reactivity reversals because of differing steric demands of the corresponding 2S+1 TS species, etc. Finally, for the same series, the Account reaches intuitive understanding of tunneling trends. It is shown that the increase of ligand's donicity results in electrostatic narrowing of the barrier, while the decrease of donicity and increase of bond-order asymmetry in the TS (inter alia due to Bell-Evans-Polanyi effects) broadens the barrier. Predictions are made that usage of powerful electron-donating ligands may train H-abstractors to activate the strongest C-H bond in a molecule. The concepts developed here are likely to be applicable to other oxometals in the d- and f-blocks.

  7. Anisotropic yield surfaces in bi-axial cyclic plasticity

    International Nuclear Information System (INIS)

    Rider, R.J.; Harvey, S.J.; Breckell, T.H.

    1985-01-01

    Some aspects of the behaviour of yield surfaces and work-hardening surfaces occurring in biaxial cyclic plasticity have been studied experimentally and theoretically. The experimental work consisted of subjecting thin-walled tubular steel specimens to cyclic plastic torsion in the presence of sustained axial loads of various magnitudes. The experimental results show that considerable anisotropy is induced when the cyclic shear strains are dominant. Although the true shapes of yield and work-hardening surfaces can be very complex, a mathematical model is presented which includes both anisotropy and Bauschinger effects. The model is able to qualitatively predict the deformation patterns during a cycle of applied plastic shear strain for a range of sustained axial stresses and also indicate the material response to changes in axial stress. (orig.)

  8. Axially modulated arch resonator for logic and memory applications

    KAUST Repository

    Hafiz, Md Abdullah Al

    2018-01-17

    We demonstrate reconfigurable logic and random access memory devices based on an axially modulated clamped-guided arch resonator. The device is electrostatically actuated and the motional signal is capacitively sensed, while the resonance frequency is modulated through an axial electrostatic force from the guided side of the microbeam. A multi-physics finite element model is used to verify the effectiveness of the axial modulation. We present two case studies: first, a reconfigurable two-input logic gate based on the linear resonance frequency modulation, and second, a memory element based on the hysteretic frequency response of the resonator working in the nonlinear regime. The energy consumptions of the device for both logic and memory operations are in the range of picojoules, promising for energy efficient alternative computing paradigm.

  9. Metal, bond energy, and ancillary ligand effects on actinide-carbon σ-bond hydrogenolysis. A kinetic and mechanistic study

    International Nuclear Information System (INIS)

    Lin, Z.; Marks, T.J.

    1987-01-01

    A kineticmechanistic study of actinide hydrocarbyl ligand hydrogenolysis (An-R + H 2 → An-H + RH) is reported. For the complex Cp' 2 TH(CH 2 -t-Bu)(O-t-Bu)(Cp' = eta 5 -Me 5 C 5 ), the rate law is first-order in organoactinide and first-order in H 2 , with k/sub H2/k/sub D2/ = 2.5 (4) and k/sub THF/k/sub toluene/ = 2.9 (4). For a series of complexes, hydrogenolysis rates span a range of ca. 10 5 with Cp' 2 ThCH 2 C(CH 3 ) 2 CH 2 ≅ Cp' 2 U(CH 2 -t-Bu) (too rapid to measure accurately) > Cp' 2 Th(CH 2 -t-Bu)[OCH(t-Bu) 2 ] = Cp' 2 Th(CH 2 -t-Bu)(O-t-Bu) > Cp' 2 Th(CH 2 -t-Bu)(Cl) > Me 2 Si(Me 4 C 5 ) 2 Th(n-Bu) 2 > Cp' 2 Th(n-Bu) 2 ≅ Cp' 2 ThMe 2 > Cp' 2 Th(Me)(O 3 SCF 3 ) > Cp' 2 Th(n-Bu)[OCG(t-Bu) 2 ] ≅ Cp' 2 Th(Me)[OSiMe 2 (t-Bu)] > Cp' 2 ZrMe 2 = Cp' 2 Th(rho-C 6 H 4 NMe 2 )(O-tu-Bu) > Cp' 2 Th(Ph)(O-t-Bu) > Cp' 2 U(Me)[OCH(t-Bu) 2 ] > Cp' 2 Th(Me)[OCH(t-Bu) 2 ]. In the majority of cases, the rate law is cleanly first-order in organoactinide over 3 or more half-lives. However, for Cp' 2 ThMe 2 → (Cp' 2 ThH 2 ) 2 , an intermediate is observe by NMR that is probably [Cp' 2 Th(Me)(μ-H)] 2 . For Cp' 2 Th(Me)(O 3 SCF 3 ), a follow-up reaction, which consumes Cp' 2 TH(H)(O 3 SCF 3 ) is detected. Variable-temperature kinetic studies yield ΔH** = 3.7 (2) kcalmol and ΔS double dagger = -50.8 (7) eu for Cp' 2 Th(CH 2 -t-Bu)(O-t-Bu) and ΔH double dagger = 9 (2) kcalmol and ΔS double dagger = -45 (5) eu for Cp' 2 U(Me)[OCH(O-t-Bu) 2

  10. MDAN-21: A Bivalent Opioid Ligand Containing mu-Agonist and Delta-Antagonist Pharmacophores and Its Effects in Rhesus Monkeys

    Directory of Open Access Journals (Sweden)

    Mario D. Aceto

    2012-01-01

    Full Text Available MDAN-21, 7′-{2-[(7-{2-[({(5α,6α-4,5-Epoxy-3,14-dihydroxy-17-methylmorphin-6-yl}-aminocarbonylmetoxy]-acetylamino}-heptylaminocarbonyl-methoxy]-acetylamino}-naltrindole, a bivalent opioid ligand containing a mu-opioid receptor agonist (derived from oxymorphone linked to the delta-opioid receptor antagonist (related to naltrindole by a spacer of 21 atoms, was reported to have potent analgesic properties in mice. Tolerance, physical dependence, and conditioned place preference were not evident in that species. The finding that bivalent ligands in this series, with spacers 19 atoms or greater, were devoid of tolerance and dependence led to the proposal that MDAN-21 targets heteromeric mu-delta-opioid receptors. The present study focused on its effects in nonhuman primates (Macaca mulatta, a species with a physiology and behavioral repertoire not unlike humans. With regard to opioids, this species usually better predicts clinical outcomes. MDAN-21 substituted for morphine in morphine-dependent monkeys in the remarkably low dose range 0.006–0.032 mg/kg, subcutaneously. Although MDAN-21 failed to produce reliable thermal analgesia in the dose range 0.0032–0.032 mg/kg, intramuscularly, it was active in the same dose range and by the same route of administration, in the capsaicin-induced thermal allodynia assay. The results suggest that MDAN-21 may be useful in the treatment of opioid dependence and allodynia. The data provide additional evidence that opioid withdrawal is associated with sensitized pain.

  11. Glutamate receptor ligands

    DEFF Research Database (Denmark)

    Guldbrandt, Mette; Johansen, Tommy N; Frydenvang, Karla Andrea

    2002-01-01

    Homologation and substitution on the carbon backbone of (S)-glutamic acid [(S)-Glu, 1], as well as absolute stereochemistry, are structural parameters of key importance for the pharmacological profile of (S)-Glu receptor ligands. We describe a series of methyl-substituted 2-aminoadipic acid (AA...

  12. A Comparison of the Anorectic Effect and Safety of the Alpha2-Adrenoceptor Ligands Guanfacine and Yohimbine in Rats with Diet-Induced Obesity.

    Directory of Open Access Journals (Sweden)

    Magdalena Dudek

    Full Text Available The search for drugs with anorectic activity, acting within the adrenergic system has attracted the interest of researchers. Partial α2-adrenoceptor agonists might offer the potential for effective and safe treatment of obesity. We compared the effectiveness and safety of α2-adrenoceptor ligands in reducing body mass. We also analyzed if antagonist and partial agonists of α2-adrenoceptor--yohimbine and guanfacine--act similarly, and determined which course of action is connected with anorectic activity. We tested intrinsic activity and effect on the lipolysis of these compounds in cell cultures, evaluated their effect on meal size, body weight in Wistar rats with high-fat diet-induced obesity, and determined their effect on blood pressure, heart rate, lipid profile, spontaneous locomotor activity, core temperature and glucose, as well as glycerol and cortisol levels. Both guanfacine and yohimbine showed anorectic activity. Guanfacine was much more effective than yohimbine. Both significantly reduced the amount of intraperitoneal adipose tissue and had a beneficial effect on lipid profiles. Decreased response of α2A-adrenoceptors and partial stimulation of α2B-receptors seem to be responsible for the anorectic action of guanfacine. The stimulation of α1-adrenoceptors by guanfacine is responsible for cardiovascular side effects but may also be linked with improved anorexic effect. α1-adrenoceptor blockade is connected with the side effects of yohimbine, but it is also associated with the improvement of lipid profiles. Guanfacine has been approved by the Food and Drug Administration (FDA to treat hypertension and conduct disorder, but as it reduces body weight, it is worth examining its effectiveness and safety in models of obesity.

  13. Axial grazing collisions with insulator surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Gravielle, M.S. [Instituto de Astronomia y Fisica del Espacio (IAFE), Consejo Nacional de Investigaciones Cientificas y Tecnicas, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina) and Departamento de Fisica, FCEN, Universidad de Buenos Aires (Argentina)]. E-mail: msilvia@iafe.uba.ar; Miraglia, J.E. [Instituto de Astronomia y Fisica del Espacio (IAFE), Consejo Nacional de Investigaciones Cientificas y Tecnicas, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Departamento de Fisica, FCEN, Universidad de Buenos Aires (Argentina)

    2007-05-15

    Electron capture and emission processes from insulator surfaces produced by grazing impact of fast ions are investigated under axial incidence conditions. For crystal surfaces we develop a model based on distorted wave methods, which allows us to express the coherent transition amplitude along the projectile path as a sum of atomic amplitudes, each one associated with a different lattice site. The method is applied to 100 keV protons colliding with LiF surfaces. For electron transitions from a given initial crystal state, the probabilities display strong interference effects as a function of the crystal orientation. But the interference patterns disappear when these partial probabilities are added to derive the total probability from the surface band.

  14. Axial grazing collisions with insulator surfaces

    International Nuclear Information System (INIS)

    Gravielle, M.S.; Miraglia, J.E.

    2007-01-01

    Electron capture and emission processes from insulator surfaces produced by grazing impact of fast ions are investigated under axial incidence conditions. For crystal surfaces we develop a model based on distorted wave methods, which allows us to express the coherent transition amplitude along the projectile path as a sum of atomic amplitudes, each one associated with a different lattice site. The method is applied to 100 keV protons colliding with LiF surfaces. For electron transitions from a given initial crystal state, the probabilities display strong interference effects as a function of the crystal orientation. But the interference patterns disappear when these partial probabilities are added to derive the total probability from the surface band

  15. Research on a novel axial-flux magnetic-field-modulated brushless double-rotor machine with low axial force and high efficiency

    Directory of Open Access Journals (Sweden)

    Chengde Tong

    2017-05-01

    Full Text Available The axial-flux magnetic-field-modulated brushless double-rotor machine (MFM-BDRM is a possible alternative as a power-split device for hybrid electric vehicles (HEVs. However, the existence of large axial force may lead to assembly problems and rich inner air-gap harmonics could result in high PM loss and low efficiency. This paper proposes a novel axial-flux MFM-BDRM with improved PM rotor structure. 2-D analytical method to predict the magnetic-field distribution of the proposed MFM-BDRM is developed and the design procedure of the proposed machine is illustrated. The impact of key geometrical parameters on axial force and torque is investigated. To evaluate the advantage of the proposed machine, a comparison is made with a conventional one with respect to electromagnetic performances. Results show that the proposed machine is effective in reducing PM eddy loss and axial force by 60% and 35%, respectively.

  16. Supersymmetric axial anomalies and the Wess-Zumino action

    International Nuclear Information System (INIS)

    Harada, K.; Shizuya, K.

    1988-01-01

    We derive, by an algebraic method, a manifestly supersymmetric extension of Bardeen's minimal form of axial anomalies, which obeys the Wess-Zumino consistency condition. The left-right symmetric form of the anomalies is also obtained by a reduction procedure. We construct the supersymmetric Wess-Zumino effective action and study its low-energy features. (orig.)

  17. Axial tomography in 3D live cell microscopy

    Science.gov (United States)

    Richter, Verena; Bruns, Sarah; Bruns, Thomas; Piper, Mathis; Weber, Petra; Wagner, Michael; Cremer, Christoph; Schneckenburger, Herbert

    2017-07-01

    A miniaturized setup for sample rotation on a microscope stage has been developed, combined with light sheet, confocal or structured illumination microscopy and applied to living cells as well as to small organisms. This setup permits axial tomography with improved visualization of single cells or small cell clusters as well as an enhanced effective 3D resolution upon sample rotation.

  18. Stochastic quantization for the axial model

    International Nuclear Information System (INIS)

    Farina, C.; Montani, H.; Albuquerque, L.C.

    1991-01-01

    We use bosonization ideas to solve the axial model in the stochastic quantization framework. We obtain the fermion propagator of the theory decoupling directly the Langevin equation, instead of the Fokker-Planck equation. In the Appendix we calculate explicitly the anomalous divergence of the axial-vector current by using a regularization that does not break the Markovian character of the stochastic process

  19. Health and imaging outcomes in axial spondyloarthritis

    NARCIS (Netherlands)

    Machado, P.M.

    2016-01-01

    This thesis focuses on the assessment and monitoring of health and imaging outcomes in axial spondyloarthritis (SpA) and the relationship between these outcomes. Four major contributions to the understanding and management of axial SpA were made: 1) the improvement and facilitation of the assessment

  20. Effects of GF-015535-00, a novel α1 GABA A receptor ligand, on the sleep-wake cycle in mice, with reference to zolpidem.

    Science.gov (United States)

    Anaclet, Christelle; Zhang, Mei; Zhao, Chunmei; Buda, Colette; Seugnet, Laurent; Lin, Jian-Sheng

    2012-01-01

    Novel, safe, and efficient hypnotic compounds capable of enhancing physiological sleep are still in great demand in the therapy of insomnia. This study compares the sleep-wake effects of a new α1 GABA(A) receptor subunit ligand, GF-015535-00, with those of zolpidem, the widely utilized hypnotic compound. Nine C57Bl6/J male mice were chronically implanted with electrodes for EEG and sleep-wake monitoring. Each mouse received 3 doses of GF-015535-00 and zolpidem. Time spent in sleep-wake states and cortical EEG power spectra were analyzed. Both zolpidem and GF-015535-00 prominently enhanced slow wave sleep and paradoxical sleep in the mouse. However, as compared with zolpidem, GF-015535-00 showed several important differences: (1) a comparable sleep-enhancing effect was obtained with a 10 fold smaller dose; (2) the induced sleep was less fragmented; (3) the risk of subsequent wake rebound was less prominent; and (4) the cortical EEG power ratio between slow wave sleep and wake was similar to that of natural sleep and thus compatible with physiological sleep. The characteristics of the sleep-wake effects of GF-015535-00 in mice could be potentially beneficial for its use as a therapeutic compound in the treatment of insomnia. Further investigations are required to assess whether the same characteristics are conserved in other animal models and humans.

  1. Axial anomalies of Lifshitz fermions

    CERN Document Server

    Bakas, Ioannis

    2011-01-01

    We compute the axial anomaly of a Lifshitz fermion theory with anisotropic scaling z=3 which is minimally coupled to geometry in 3+1 space-time dimensions. We find that the result is identical to the relativistic case using path integral methods. An independent verification is provided by showing with spectral methods that the eta-invariant of the Dirac and Lifshitz fermion operators in three dimensions are equal. Thus, by the integrated form of the anomaly, the index of the Dirac operator still accounts for the possible breakdown of chiral symmetry in non-relativistic theories of gravity. We apply this framework to the recently constructed gravitational instanton backgrounds of Horava-Lifshitz theory and find that the index is non-zero provided that the space-time foliation admits leaves with harmonic spinors. Using Hitchin's construction of harmonic spinors on Berger spheres, we obtain explicit results for the index of the fermion operator on all such gravitational instanton backgrounds with SU(2)xU(1) isom...

  2. AMPA receptor ligands

    DEFF Research Database (Denmark)

    Strømgaard, Kristian; Mellor, Ian

    2004-01-01

    Alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptors (AMPAR), subtype of the ionotropic glutamate receptors (IGRs), mediate fast synaptic transmission in the central nervous system (CNS), and are involved in many neurological disorders, as well as being a key player in the f......Alpha-amino-3-hydroxy-5-methyl-4-isoxazole propionic acid (AMPA) receptors (AMPAR), subtype of the ionotropic glutamate receptors (IGRs), mediate fast synaptic transmission in the central nervous system (CNS), and are involved in many neurological disorders, as well as being a key player...... in the formation of memory. Hence, ligands affecting AMPARs are highly important for the study of the structure and function of this receptor, and in this regard polyamine-based ligands, particularly polyamine toxins, are unique as they selectively block Ca2+ -permeable AMPARs. Indeed, endogenous intracellular...

  3. Radiobiology with DNA ligands

    International Nuclear Information System (INIS)

    Weinreich, R.; Argentini, M.; Guenther, I.; Koziorowski, J.; Larsson, B.; Nievergelt-Egido, M.C.; Salt, C.; Wyer, L.; Dos Santos, D.F.; Hansen, H.J.

    1997-01-01

    The paper deals with the following topics: labelling of DNA ligands and other tumour-affinic compounds with 4.15-d 124 I, radiotoxicity of Hoechst 33258 and 33342 and of iodinated Hoechst 33258 in cell cultures, preparation of 76 Br-, 123 I-, and 221 At-labelled 5-halo-2'-deoxyuridine, chemical syntheses of boron derivatives of Hoechst 33258.III., Gadolinium neutron capture therapy

  4. Anti-proliferative effects of T cells expressing a ligand-based chimeric antigen receptor against CD116 on CD34+ cells of juvenile myelomonocytic leukemia

    Directory of Open Access Journals (Sweden)

    Yozo Nakazawa

    2016-03-01

    Full Text Available Abstract Background Juvenile myelomonocytic leukemia (JMML is a fatal, myelodysplastic/myeloproliferative neoplasm of early childhood. Patients with JMML have mutually exclusive genetic abnormalities in granulocyte-macrophage colony-stimulating factor (GM-CSF receptor (GMR, CD116 signaling pathway. Allogeneic hematopoietic stem cell transplantation is currently the only curative treatment option for JMML; however, disease recurrence is a major cause of treatment failure. We investigated adoptive immunotherapy using GMR-targeted chimeric antigen receptor (CAR for JMML. Methods We constructed a novel CAR capable of binding to GMR via its ligand, GM-CSF, and generated piggyBac transposon-based GMR CAR-modified T cells from three healthy donors and two patients with JMML. We further evaluated the anti-proliferative potential of GMR CAR T cells on leukemic CD34+ cells from six patients with JMML (two NRAS mutations, three PTPN11 mutations, and one monosomy 7, and normal CD34+ cells. Results GMR CAR T cells from healthy donors suppressed the cytokine-dependent growth of MO7e cells, but not the growth of K562 and Daudi cells. Co-culture of healthy GMR CAR T cells with CD34+ cells of five patients with JMML at effector to target ratios of 1:1 and 1:4 for 2 days significantly decreased total colony growth, regardless of genetic abnormality. Furthermore, GMR CAR T cells from a non-transplanted patient and a transplanted patient inhibited the proliferation of respective JMML CD34+ cells at onset to a degree comparable to healthy GMR CAR T cells. Seven-day co-culture of GMR CAR T cells resulted in a marked suppression of JMML CD34+ cell proliferation, particularly CD34+CD38− cell proliferation stimulated with stem cell factor and thrombopoietin on AGM-S3 cells. Meanwhile, GMR CAR T cells exerted no effects on normal CD34+ cell colony growth. Conclusions Ligand-based GMR CAR T cells may have anti-proliferative effects on stem and progenitor cells in JMML.

  5. Effective ligand functionalization of zirconium-based metal-organic frameworks for the adsorption and separation of benzene and toluene: a multiscale computational study.

    Science.gov (United States)

    Wu, Ying; Chen, Huiyong; Liu, Defei; Xiao, Jing; Qian, Yu; Xi, Hongxia

    2015-03-18

    The adsorption and separation properties of benzene and toluene on the zirconium-based frameworks UiO-66, -67, -68, and their functional analogues UiO-Phe and UiO-Me2 were studied using grand canonical Monte Carlo simulations, density functional theory, and ideal adsorbed solution theory. Remarkable higher adsorption uptakes of benzene and toluene at low pressures on UiO-Phe and -Me2 were found compared to their parent framework UiO-67. It can be ascribed to the presence of functional groups (aromatic rings and methyl groups) that significantly intensified the adsorption, majorly by reducing the effective pore size and increasing the interaction strength with the adsorbates. At high pressures, the pore volumes and accessible surfaces of the frameworks turned out to be the dominant factors governing the adsorption. In the case of toluene/benzene separation, toluene selectivities of UiOs showed a two-stage separation behavior at the measured pressure range, resulting from the greater interaction affinities of toluene at low pressures and steric hindrance effects at high pressures. Additionally, the counterbalancing factors of enhanced π delocalization and suitable pore size of UiO-Phe gave rise to the highest toluene selectivity, suggesting the ligand functionalization strategy could reach both high adsorption capacity and separation selectivity from aromatic mixtures at low concentrations.

  6. The beneficial pleiotropic effects of tumour necrosis factor-related apoptosis-inducing ligand (TRAIL) within the vasculature: A review of the evidence.

    Science.gov (United States)

    Forde, Hannah; Harper, Emma; Davenport, Colin; Rochfort, Keith D; Wallace, Robert; Murphy, Ronan P; Smith, Diarmuid; Cummins, Philip M

    2016-04-01

    Tumour necrosis factor-related apoptosis-inducing ligand (TRAIL) is a type II transmembrane protein that belongs to the tumour necrosis factor (TNF) cytokine superfamily. TRAIL is expressed by numerous cell types including vascular cells, immune cells and adipocytes. Although originally thought to induce apoptosis in malignant or transformed cells only, it is now known that TRAIL can bind up to 5 distinct receptors to activate complex signalling pathways, and is capable of exerting pleiotropic effects in non-transformed cells. In this respect, a number of clinical and animal studies point to the potential vasoprotective influence of TRAIL, with TRAIL deficiency being linked to accelerated atherosclerosis and vascular calcification. Moreover, exogenous TRAIL administration has been shown to exhibit anti-atherosclerotic activity in-vivo. In-vitro studies on TRAIL in this context have yielded conflicting results however, with evidence of both pro-atherogenic and vasoprotective effects ascribed to TRAIL. Notwithstanding these various studies, mechanistic information on the precise nature of TRAIL-mediated injury/protection within the vasculature, as well as the identity of the downstream molecular/cellular targets of TRAIL, is still quite limited. In this review, we will summarize our current knowledge of TRAIL regulation, signalling mechanisms, and its apparent involvement in CVD pathogenesis as a prelude to examining the existing evidence for TRAIL-mediated vasoprotection. To this end, extensive in vitro, in vivo, and clinical studies will be reviewed and critical findings highlighted. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  7. Effect of tumor necrosis factor related apoptosis-inducing ligand (TRAIL) combined with ionizing radiation on proliferation and apoptosis of breast cancer MCF-7 cell lines

    International Nuclear Information System (INIS)

    Zhang Yusong; Fu Jinxiang; Zhou Jianying; Zhou Liying; Guo Xiaokui; Zhuang Zhixiang

    2007-01-01

    Objective: To investigate the effect of Tumor necrosis factor related apoptosis-inducing ligand (TRAIL) on breast cancer MCF-7 cell lines and the possibility of TRAIL combined with radiotherapy. Methods: 1 x 10 4 /ml MCF-7 cell suspension were added to each well of 96-well plates, MCF cell were treated with radiotherapy(RT), TRAIL at different concentration or RT combined with TRAIL. MTT working solution was added and calculated the inhibitory rates of MCF-7 cells. MCF-7 cell suspension was added to 6-well plates then treated with TRAIL(1 μg/ml), 8 Gy RT or TRAIL combined with 8 Gy RT. The rates of apoptosis were detected by flow cytometry after incubated 48 h. RT-PCR methods were employed to analyze the expression of apoptosis related gene in different treatment group. Results: MCF-7 cell lines were resistant to TRAIL, but the inhibitory rate was upregulated when MCF-7 cell was treated with TRAIL combined with RT, which had a significant difference compared with RT or TRAIL alone. The expression of Bcl-2 and Bcl-Xl gene were down-regulated when MCF-7 cell lines was treated with 8 Gy RT combined with TRAIL. Conclusions: In vitro, MCF-7 cell lines are resistant to TRAIL, but TRAIL combined with radiotherapy increased the cytotoxic effect. TRAIL has a promising prospect in clinical use. (authors)

  8. The next chapter in MOF pillaring strategies: Trigonal heterofunctional ligands to access targeted high-connected three dimensional nets, isoreticular platforms

    KAUST Repository

    Eubank, Jarrod F.

    2011-11-09

    A new pillaring strategy, based on a ligand-to-axial approach that combines the two previous common techniques, axial-to-axial and ligand-to-ligand, and permits design, access, and construction of higher dimensional MOFs, is introduced and validated. Trigonal heterofunctional ligands, in this case isophthalic acid cores functionalized at the 5-position with N-donor (e.g., pyridyl- or triazolyl-type) moieties, are designed and utilized to pillar pretargeted two-dimensional layers (supermolecular building layers, SBLs). These SBLs, based on edge transitive Kagomé and square lattices, are cross-linked into predicted three-dimensional MOFs with tunable large cavities, resulting in isoreticular platforms. © 2011 American Chemical Society.

  9. The next chapter in MOF pillaring strategies: Trigonal heterofunctional ligands to access targeted high-connected three dimensional nets, isoreticular platforms

    KAUST Repository

    Eubank, Jarrod F.; Wojtas, Łukasz; Hight, Matthew R.; Bousquet, Till; Kravtsov, Victor Ch H; Eddaoudi, Mohamed

    2011-01-01

    A new pillaring strategy, based on a ligand-to-axial approach that combines the two previous common techniques, axial-to-axial and ligand-to-ligand, and permits design, access, and construction of higher dimensional MOFs, is introduced and validated. Trigonal heterofunctional ligands, in this case isophthalic acid cores functionalized at the 5-position with N-donor (e.g., pyridyl- or triazolyl-type) moieties, are designed and utilized to pillar pretargeted two-dimensional layers (supermolecular building layers, SBLs). These SBLs, based on edge transitive Kagomé and square lattices, are cross-linked into predicted three-dimensional MOFs with tunable large cavities, resulting in isoreticular platforms. © 2011 American Chemical Society.

  10. Prediction of GPCR-Ligand Binding Using Machine Learning Algorithms

    Directory of Open Access Journals (Sweden)

    Sangmin Seo

    2018-01-01

    Full Text Available We propose a novel method that predicts binding of G-protein coupled receptors (GPCRs and ligands. The proposed method uses hub and cycle structures of ligands and amino acid motif sequences of GPCRs, rather than the 3D structure of a receptor or similarity of receptors or ligands. The experimental results show that these new features can be effective in predicting GPCR-ligand binding (average area under the curve [AUC] of 0.944, because they are thought to include hidden properties of good ligand-receptor binding. Using the proposed method, we were able to identify novel ligand-GPCR bindings, some of which are supported by several studies.

  11. Modernity: A new axial (era culture?

    Directory of Open Access Journals (Sweden)

    Wolfgang Schluchter

    2017-10-01

    Full Text Available The proposition of an axial age, lasting roughly from 800 to 200 B.C. and occurring in major civilizations (China, India, Near East independent of each other, first introduced by Alfred Weber and Karl Jaspers, then further developed by Robert Bellah and S. N. Eisenstadt among others, implied from the outset the question whether there has been a second axial age, leading to modernity, and if so, whether this second axial age consists in a secularization of the achievements of the first axial age. In this article it is argued that the notion of a second axial age is meaningful, but that the emergence of modernity can›t be accounted for in terms of secularization of the achievements of the first axial age. Rather, a new axial principle was institutionalized which separates the modern from the premodern world. This new principle is spelled out with reference to Hans Blumenberg, Charles Taylor and especially Max Weber. The emphasis is on the dialectics of disenchantment and the place of religion in a secular age

  12. Toxicity, mutagenicity, and behavioral effects of β-CIT, a ligand for dopamine transporter exploration by SPECT

    International Nuclear Information System (INIS)

    Emond, P.; Farde, L.; Chalon, S.; Belzung, C.; Mauclaire, V.; Chiron, J. P.; Halldin, C.; Besnard, J.C.; Guilloteau, D.

    1998-01-01

    The cocaine analog β-CIT is one of the most used compounds for SPET examination of the dopamine transporter in drug abuse and Parkinson's disease. However, the toxicity of this agent has not yet been studied. We report here acute toxicity, mutagenicity, and effect on locomotor activity of β-CIT. Acute toxicity experiments were performed in mice and rats. The LD50 values were about 20 mg and 5 mg for mice and rats, respectively. There was no sex difference. The mutagenicity was evaluated using the Ames' test. No mutagenic effect was observed for β-CIT. Effects on locomotor activity were measured in mice using the open-field test. β-CIT increased locomotion (+65%) when injected at a dose of 0.312 mg/kg; the maximal increase (+205%) was observed at a dose of 1.25 mg/kg; at higher doses, the effect was decreased slightly. These pharmacological findings are in agreement with an inhibitory effect of β-CIT at the dopamine transporter. We conclude that with no mutagenic effects and LD50 more than 6 orders of magnitude higher than the routinely used doses in PET or SPET, it can be assumed that β-CIT can be safely used as a radioligand in humans

  13. Toxicity, mutagenicity, and behavioral effects of {beta}-CIT, a ligand for dopamine transporter exploration by SPECT

    Energy Technology Data Exchange (ETDEWEB)

    Emond, P.; Farde, L.; Chalon, S.; Belzung, C.; Mauclaire, V.; Chiron, J. P.; Halldin, C.; Besnard, J.C.; Guilloteau, D

    1998-05-01

    The cocaine analog {beta}-CIT is one of the most used compounds for SPET examination of the dopamine transporter in drug abuse and Parkinson's disease. However, the toxicity of this agent has not yet been studied. We report here acute toxicity, mutagenicity, and effect on locomotor activity of {beta}-CIT. Acute toxicity experiments were performed in mice and rats. The LD50 values were about 20 mg and 5 mg for mice and rats, respectively. There was no sex difference. The mutagenicity was evaluated using the Ames' test. No mutagenic effect was observed for {beta}-CIT. Effects on locomotor activity were measured in mice using the open-field test. {beta}-CIT increased locomotion (+65%) when injected at a dose of 0.312 mg/kg; the maximal increase (+205%) was observed at a dose of 1.25 mg/kg; at higher doses, the effect was decreased slightly. These pharmacological findings are in agreement with an inhibitory effect of {beta}-CIT at the dopamine transporter. We conclude that with no mutagenic effects and LD50 more than 6 orders of magnitude higher than the routinely used doses in PET or SPET, it can be assumed that {beta}-CIT can be safely used as a radioligand in humans.

  14. The effect of blood inflow and B(1)-field inhomogeneity on measurement of the arterial input function in axial 3D spoiled gradient echo dynamic contrast-enhanced MRI.

    Science.gov (United States)

    Roberts, Caleb; Little, Ross; Watson, Yvonne; Zhao, Sha; Buckley, David L; Parker, Geoff J M

    2011-01-01

    A major potential confound in axial 3D dynamic contrast-enhanced magnetic resonance imaging studies is the blood inflow effect; therefore, the choice of slice location for arterial input function measurement within the imaging volume must be considered carefully. The objective of this study was to use computer simulations, flow phantom, and in vivo studies to describe and understand the effect of blood inflow on the measurement of the arterial input function. All experiments were done at 1.5 T using a typical 3D dynamic contrast-enhanced magnetic resonance imaging sequence, and arterial input functions were extracted for each slice in the imaging volume. We simulated a set of arterial input functions based on the same imaging parameters and accounted for blood inflow and radiofrequency field inhomogeneities. Measured arterial input functions along the vessel length from both in vivo and the flow phantom agreed with simulated arterial input functions and show large overestimations in the arterial input function in the first 30 mm of the vessel, whereas arterial input functions measured more centrally achieve accurate contrast agent concentrations. Use of inflow-affected arterial input functions in tracer kinetic modeling shows potential errors of up to 80% in tissue microvascular parameters. These errors emphasize the importance of careful placement of the arterial input function definition location to avoid the effects of blood inflow. © 2010 Wiley-Liss, Inc.

  15. Dispersion relation and growth rate in a Cherenkov free electron laser: Finite axial magnetic field

    International Nuclear Information System (INIS)

    Kheiri, Golshad; Esmaeilzadeh, Mahdi

    2013-01-01

    A theoretical analysis is presented for dispersion relation and growth rate in a Cherenkov free electron laser with finite axial magnetic field. It is shown that the growth rate and the resonance frequency of Cherenkov free electron laser increase with increasing axial magnetic field for low axial magnetic fields, while for high axial magnetic fields, they go to a saturation value. The growth rate and resonance frequency saturation values are exactly the same as those for infinite axial magnetic field approximation. The effects of electron beam self-fields on growth rate are investigated, and it is shown that the growth rate decreases in the presence of self-fields. It is found that there is an optimum value for electron beam density and Lorentz relativistic factor at which the maximum growth rate can take place. Also, the effects of velocity spread of electron beam are studied and it is found that the growth rate decreases due to the electron velocity spread

  16. sizing of wind powered axial flux permanent magnet alternator using

    African Journals Online (AJOL)

    user

    2016-10-04

    Oct 4, 2016 ... Keywords: Wind-Power, Axial flux, Axial Flux Permanent Machines (AFPM), Axial Flux Permanent Magnet ... energy for power generation, a high constraint is the .... arrangements as Single-Rotor Single-Stator Structure.

  17. Growing Platinum-Ruthenium-Tin ternary alloy nanoparticles on reduced graphene oxide for strong ligand effect toward enhanced ethanol oxidation reaction.

    Science.gov (United States)

    Xia, Qing Qing; Zhang, Lian Ying; Zhao, Zhi Liang; Li, Chang Ming

    2017-11-15

    Uniform Pt 1 Ru 0.5 Sn 0.5 ternary alloy nanoparticles are in situ deposited on reduced graphene oxide (Pt 1 Ru 0.5 Sn 0.5 -RGO) through its functional groups and defects as nucleation sites to greatly electrocatalyze ethanol oxidation reaction for much higher mass current densities, larger apparent specific current densities and better stability than commercial Pt-C catalyst (Pt-C(commer)). Mechanistic studies indicate that the excellent electrocatalytic activity and anti-poisoning are resulted from a strong ligand effect of the ternary alloy components, in which the charge transfer is boosted while decreasing the density of states close to the Fermi level of Pt to reduce bond energy between Pt and CO-like adsorbates for greatly improved anti-poisoning ability. This work holds a great promise to fabricate a high performance anode catalyst with a low Pt loading for direct ethanol fuel cells. Copyright © 2017. Published by Elsevier Inc.

  18. Effect of the pillar ligand on preventing agglomeration of ZnO nanoparticles prepared from Zn(II metal-organic frameworks

    Directory of Open Access Journals (Sweden)

    Maryam Moeinian

    2016-01-01

    Full Text Available Metal-Organic Frameworks (MOFs represent a new class of highly porous materials. On this regard,  two nano porous metal-organic frameworks of [Zn2(1,4-bdc2(H2O2∙(DMF2]n (1 and [Zn2(1,4-bdc2(dabco]·4DMF·1⁄2H2O (2, (1,4-bdc = benzene-1,4-dicarboxylate, dabco = 1,4-diazabicyclo[2.2.2]octane and DMF = N,N-dimethylformamide were synthesized and characterized. They were used for preparation of ZnO nanomaterials. With calcination of 1, agglomerated ZnO nanoparticles could be fabricated, but by the same process on 2, the tendency of ZnO nanoparticles to agglomeration was decreased. In addition, the ZnO nanoparticles prepared from compound 2 had smaller diameter than those obtained from compound 1. In fact, the role of organic dabco ligands in 2 is similar to the role of polymeric stabilizers in formation of nanoparticles. Finally, considering the various applications of ZnO nanomaterials such as light-emitting diodes, photodetectors, photodiodes, gas sensors and dye-sensitized solar cells (DSSCs, it seems that preparation of ZnO nanomaterials from their MOFs could be one of the simple and effective methods which may be applied for preparation of them.

  19. Overexpression of Notch ligand Delta-like-1 by dendritic cells enhances their immunoregulatory capacity and exerts antiallergic effects on Th2-mediated allergic asthma in mice.

    Science.gov (United States)

    Lee, Chen-Chen; Lin, Chu-Lun; Leu, Sy-Jye; Lee, Yueh-Lun

    2018-02-01

    Dendritic cells (DCs) are professional antigen-presenting cells, and Notch ligand Delta-like-1 (DLL1) on DCs was implicated in type 1T helper (Th1) differentiation. In this study, we produced genetically engineered bone marrow-derived DCs that expressed DLL1 (DLL1-DCs) by adenoviral transduction. DLL1-DCs exerted a fully mature phenotype, and had positive effects on expression levels of interleukin (IL)-12 and costimulatory molecules. Coculture of allogeneic T cells with ovalbumin (OVA)-pulsed DLL1-DCs enhanced T cell proliferative responses and promoted Th1 cell differentiation. Furthermore, adoptive transfer of OVA-stimulated DLL1-DCs into asthmatic mice alleviated the cardinal features of allergic asthma, including immunoglobulin E (IgE) production, airway hyperresponsiveness (AHR), airway inflammation, and production of Th2-type cytokines. Notably, enhanced levels of the Th1-biased IgG 2a response and interferon (IFN)-γ production were observed in these mice. Taken together, these data indicate that DLL1-DCs promoted Th1 cell development to alter the Th1/Th2 ratio and ameliorate Th2-mediated allergic asthma in mice. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Multi-axial mechanical stimulation of tissue engineered cartilage: Review

    Directory of Open Access Journals (Sweden)

    S D Waldman

    2007-04-01

    Full Text Available The development of tissue engineered cartilage is a promising new approach for the repair of damaged or diseased tissue. Since it has proven difficult to generate cartilaginous tissue with properties similar to that of native articular cartilage, several studies have used mechanical stimuli as a means to improve the quantity and quality of the developed tissue. In this study, we have investigated the effect of multi-axial loading applied during in vitro tissue formation to better reflect the physiological forces that chondrocytes are subjected to in vivo. Dynamic combined compression-shear stimulation (5% compression and 5% shear strain amplitudes increased both collagen and proteoglycan synthesis (76 ± 8% and 73 ± 5%, respectively over the static (unstimulated controls. When this multi-axial loading condition was applied to the chondrocyte cultures over a four week period, there were significant improvements in both extracellular matrix (ECM accumulation and the mechanical properties of the in vitro-formed tissue (3-fold increase in compressive modulus and 1.75-fold increase in shear modulus. Stimulated tissues were also significantly thinner than the static controls (19% reduction suggesting that there was a degree of ECM consolidation as a result of long-term multi-axial loading. This study demonstrated that stimulation by multi-axial forces can improve the quality of the in vitro-formed tissue, but additional studies are required to further optimize the conditions to favour improved biochemical and mechanical properties of the developed tissue.

  1. Effect of capping ligands on the optical properties and electronic energies of iron pyrite FeS{sub 2} nanocrystals and solid thin films

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Guangmei, E-mail: zhaiguangmei@tyut.edu.cn [Key Laboratory of Interface Science and Engineering in Advanced Materials of Ministry of Education of the People' s Republic of China, Research Centre of Advanced Materials Science and Technology of Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); Jiangsu Key Laboratory for Solar Cell Materials and Technology, Changzhou University, Changzhou, Jiangsu 213164 (China); State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu, Sichuan 610054 (China); Xie, Rongwei; Wang, Heng; Zhang, Jitao; Yang, Yongzhen; Wang, Hua; Li, Xuemin [Key Laboratory of Interface Science and Engineering in Advanced Materials of Ministry of Education of the People' s Republic of China, Research Centre of Advanced Materials Science and Technology of Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); Liu, Xuguang [Key Laboratory of Interface Science and Engineering in Advanced Materials of Ministry of Education of the People' s Republic of China, Research Centre of Advanced Materials Science and Technology of Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China); Xu, Bingshe [Key Laboratory of Interface Science and Engineering in Advanced Materials of Ministry of Education of the People' s Republic of China, Research Centre of Advanced Materials Science and Technology of Taiyuan University of Technology, Taiyuan, Shanxi 030024 (China)

    2016-07-25

    In this work, the optical and electronic properties of iron pyrite FeS{sub 2} nanocrystals and solid thin films with various capping ligands were systematically investigated by UV–Vis–NIR absorption spectroscopy, cyclic voltammetry and current density–voltage characteristic measurements. The iron pyrite nanocrystals with various ligands have an indirect band gap of around 1.05 eV and broad absorption spanning into the near-infrared region, exhibiting favorable optical properties for their photovoltaic applications. The electron affinities and ionization potentials of FeS{sub 2} nanocrystals determined through cyclic voltammetry measurements show strong ligand dependence. An energy level shift of up to 190 meV was obtained among the pyrite nanocrystals capped with the ligands employed in this work. The iron pyrite nanocrystal films capped with iodide and 1,2-ethanedithiol exhibit the largest band edge energy shift and conductivity, respectively. Our results not only provide several useful optical and electronic parameters of pyrite nanocrystals for their further use in optoelectronic devices as active layers and/or infrared optical absorption materials, but also highlight the relationship between their surface chemistry and electronic energies. - Highlights: • The energy levels of FeS{sub 2} nanocrystals with various ligands were determined via electrochemical measurements. • The energy levels of FeS{sub 2} nanocrystals showed strong ligand-dependence. • An energy level shift of up to 190 meV was obtained for the pyrite nanocrystals studied in the work. • The conductivities of FeS{sub 2} nanocrystals with different ligands were obtained by current density–voltage measurements.

  2. Effect of capping ligands on the optical properties and electronic energies of iron pyrite FeS2 nanocrystals and solid thin films

    International Nuclear Information System (INIS)

    Zhai, Guangmei; Xie, Rongwei; Wang, Heng; Zhang, Jitao; Yang, Yongzhen; Wang, Hua; Li, Xuemin; Liu, Xuguang; Xu, Bingshe

    2016-01-01

    In this work, the optical and electronic properties of iron pyrite FeS 2 nanocrystals and solid thin films with various capping ligands were systematically investigated by UV–Vis–NIR absorption spectroscopy, cyclic voltammetry and current density–voltage characteristic measurements. The iron pyrite nanocrystals with various ligands have an indirect band gap of around 1.05 eV and broad absorption spanning into the near-infrared region, exhibiting favorable optical properties for their photovoltaic applications. The electron affinities and ionization potentials of FeS 2 nanocrystals determined through cyclic voltammetry measurements show strong ligand dependence. An energy level shift of up to 190 meV was obtained among the pyrite nanocrystals capped with the ligands employed in this work. The iron pyrite nanocrystal films capped with iodide and 1,2-ethanedithiol exhibit the largest band edge energy shift and conductivity, respectively. Our results not only provide several useful optical and electronic parameters of pyrite nanocrystals for their further use in optoelectronic devices as active layers and/or infrared optical absorption materials, but also highlight the relationship between their surface chemistry and electronic energies. - Highlights: • The energy levels of FeS 2 nanocrystals with various ligands were determined via electrochemical measurements. • The energy levels of FeS 2 nanocrystals showed strong ligand-dependence. • An energy level shift of up to 190 meV was obtained for the pyrite nanocrystals studied in the work. • The conductivities of FeS 2 nanocrystals with different ligands were obtained by current density–voltage measurements.

  3. Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor and electronic induction.

    Science.gov (United States)

    Boda, Anil; Ali, Sk Musharaf; Rao, Hanmanth; Ghosh, Sandip K

    2012-08-01

    The structures, energetic and thermodynamic parameters of model crown ethers with different donor, cavity and electron donating/ withdrawing functional group have been determined with ab initio MP2 and density functional theory in gas and solvent phase. The calculated values of binding energy/ enthalpy for lithium ion complexation are marginally higher for hard donor based aza and oxa crown compared to soft donor based thia and phospha crown. The calculated values of binding enthalpy for lithium metal ion with 12C4 at MP2 level of theory is in good agreement with the available experimental result. The binding energy is altered due to the inductive effect imparted by the electron donating/ withdrawing group in crown ether, which is well correlated with the values of electron transfer. The role of entropy for extraction of hydrated lithium metal ion by different donor and functional group based ligand has been demonstrated. The HOMO-LUMO gap is decreased and dipole moment of the ligand is increased from gas phase to organic phase because of the dielectric constant of the solvent. The gas phase binding energy is reduced in solvent phase as the solvent molecules weaken the metal-ligand binding. The theoretical values of extraction energy for LiCl salt from aqueous solution in different organic solvent is validated by the experimental trend. The study presented here should contribute to the design of model host ligand and screening of solvent for metal ion recognition and thus can contribute in planning the experiments.

  4. AFD: an application for bi-molecular interaction using axial frequency distribution.

    Science.gov (United States)

    Raza, Saad; Azam, Syed Sikander

    2018-03-06

    Conformational flexibility and generalized structural features are responsible for specific phenomena existing in biological pathways. With advancements in computational chemistry, novel approaches and new methods are required to compare the dynamic nature of biomolecules, which are crucial not only to address dynamic functional relationships but also to gain detailed insights into the disturbance and positional fluctuation responsible for functional shifts. Keeping this in mind, axial frequency distribution (AFD) has been developed, designed, and implemented. AFD can profoundly represent distribution and density of ligand atom around a particular atom or set of atoms. It enabled us to obtain an explanation of local movements and rotations, which are not significantly highlighted by any other structural and dynamical parameters. AFD can be implemented on biological models representing ligand and protein interactions. It shows a comprehensive view of the binding pattern of ligand by exploring the distribution of atoms relative to the x-y plane of the system. By taking a relative centroid on protein or ligand, molecular interactions like hydrogen bonds, van der Waals, polar or ionic interaction can be analyzed to cater the ligand movement, stabilization or flexibility with respect to the protein. The AFD graph resulted in the residual depiction of bi-molecular interaction in gradient form which can yield specific information depending upon the system of interest.

  5. VERY SLOW SPEED AXIAL MOTION RELUCTANCE MOTOR

    African Journals Online (AJOL)

    Dr Obe

    1984-09-01

    Sep 1, 1984 ... VERY SLOW SPEED AXIAL MOTION RELUCTANCE MOTOR by. L. A. Agu ... order as that of the screw-thread motor can be obtained. LIST OF .... The n stator have equal non- magnetic spacers .... induction motor. An.

  6. Precision axial translator with high stability.

    Science.gov (United States)

    Bösch, M A

    1979-08-01

    We describe a new type of translator which is inherently stable against torsion and twisting. This concentric translator is also ideally suited for precise axial motion with clearance of the center line.

  7. Axial force measurement for esophageal function testing

    DEFF Research Database (Denmark)

    Gravesen, Flemming Holbæk; Funch-Jensen, Peter; Gregersen, Hans

    2009-01-01

    force (force in radial direction) whereas the bolus moves along the length of esophagus in a distal direction. Force measurements in the longitudinal (axial) direction provide a more direct measure of esophageal transport function. The technique used to record axial force has developed from external...... force transducers over in-vivo strain gauges of various sizes to electrical impedance based measurements. The amplitude and duration of the axial force has been shown to be as reliable as manometry. Normal, as well as abnormal, manometric recordings occur with normal bolus transit, which have been...... documented using imaging modalities such as radiography and scintigraphy. This inconsistency using manometry has also been documented by axial force recordings. This underlines the lack of information when diagnostics are based on manometry alone. Increasing the volume of a bag mounted on a probe...

  8. Theorem on axially symmetric gravitational vacuum configurations

    Energy Technology Data Exchange (ETDEWEB)

    Papadopoulos, A; Le Denmat, G [Paris-6 Univ., 75 (France). Inst. Henri Poincare

    1977-01-24

    A theorem is proved which asserts the non-existence of axially symmetric gravitational vacuum configurations with non-stationary rotation only. The eventual consequences in black-hole physics are suggested.

  9. Effect of Methamphetamine on Spectral Binding, Ligand Docking and Metabolism of Anti-HIV Drugs with CYP3A4

    Science.gov (United States)

    Ande, Anusha; Wang, Lei; Vaidya, Naveen K.; Li, Weihua; Kumar, Santosh; Kumar, Anil

    2016-01-01

    Cytochrome P450 3A4 (CYP3A4) is the major drug metabolic enzyme, and is involved in the metabolism of antiretroviral drugs, especially protease inhibitors (PIs). This study was undertaken to examine the effect of methamphetamine on the binding and metabolism of PIs with CYP3A4. We showed that methamphetamine exhibits a type I spectral change upon binding to CYP3A4 with δAmax and KD of 0.016±0.001 and 204±18 μM, respectively. Methamphetamine-CYP3A4 docking showed that methamphetamine binds to the heme of CYP3A4 in two modes, both leading to N-demethylation. We then studied the effect of methamphetamine binding on PIs with CYP3A4. Our results showed that methamphetamine alters spectral binding of nelfinavir but not the other type I PIs (lopinavir, atazanavir, tipranavir). The change in spectral binding for nelfinavir was observed at both δAmax (0.004±0.0003 vs. 0.0068±0.0001) and KD (1.42±0.36 vs.2.93±0.08 μM) levels. We further tested effect of methamphetamine on binding of 2 type II PIs; ritonavir and indinavir. Our results showed that methamphetamine alters the ritonavir binding to CYP3A4 by decreasing both the δAmax (0.0038±0.0003 vs. 0.0055±0.0003) and KD (0.043±0.0001 vs. 0.065±0.001 nM), while indinavir showed only reduced KD in presence of methamphetamine (0.086±0.01 vs. 0.174±0.03 nM). Furthermore, LC-MS/MS studies in high CYP3A4 human liver microsomes showed a decrease in the formation of hydroxy ritonavir in the presence of methamphetamine. Finally, CYP3A4 docking with lopinavir and ritonavir in the absence and presence of methamphetamine showed that methamphetamine alters the docking of ritonavir, which is consistent with the results obtained from spectral binding and metabolism studies. Overall, our results demonstrated differential effects of methamphetamine on the binding and metabolism of PIs with CYP3A4. These findings have clinical implication in terms of drug dose adjustment of antiretroviral medication, especially with ritonavir

  10. A new prearranged tripodant ligand ¤N,N',N''¤-trimethyl-¤N,N',N''¤tris(3-pyridyl)-1,3,5-benzene tricarboxamide is easily obtained via the ¤N¤-methyl amide effect

    DEFF Research Database (Denmark)

    Jørgensen, M.; Krebs, Frederik C

    2001-01-01

    The N-methyl amide cis generating effect has been utilised to create a new prearranged tripodant ligand in two synthetic steps from benzene-1,3,5-tricarbuxylic acid. Crystals of rhc ligand itself and of complexes with metal sails such as silver(I) triflate, copper(I) and copper(II) chloride...

  11. Selectivity and specificity of sphingosine-1-phosphate receptor ligands: caveats and critical thinking in characterizing receptor-mediated effects.

    Science.gov (United States)

    Salomone, Salvatore; Waeber, Christian

    2011-01-01

    Receptors for sphingosine-1-phosphate (S1P) have been identified only recently. Their medicinal chemistry is therefore still in its infancy, and few selective agonists or antagonists are available. Furthermore, the selectivity of S1P receptor agonists or antagonists is not well established. JTE-013 and BML-241 (also known as CAY10444), used extensively as specific S1P(2) and S1P(3) receptors antagonists respectively, are cases in point. When analyzing S1P-induced vasoconstriction in mouse basilar artery, we observed that JTE-013 inhibited not only the effect of S1P, but also the effect of U46619, endothelin-1 or high KCl; JTE-013 strongly inhibited responses to S1P in S1P(2) receptor knockout mice. Similarly, BML-241 has been shown to inhibit increases in intracellular Ca(2+) concentration via P(2) receptor or α(1A)-adrenoceptor stimulation and α(1A)-adrenoceptor-mediated contraction of rat mesenteric artery, while it did not affect S1P(3)-mediated decrease of forskolin-induced cyclic AMP accumulation. Another putative S1P(1/3) receptor antagonist, VPC23019, does not inhibit S1P(3)-mediated vasoconstriction. With these examples in mind, we discuss caveats about relying on available pharmacological tools to characterize receptor subtypes.

  12. Selectivity and specificity of sphingosine-1-phosphate receptor ligands: caveats and critical thinking in characterizing receptor-mediated effects

    Directory of Open Access Journals (Sweden)

    Christian eWaeber

    2011-02-01

    Full Text Available Receptors for sphingosine-1-phosphate (S1P have been identified only recently. Their medicinal chemistry is therefore still in its infancy, and few selective agonists or antagonists are available. Furthermore, the selectivity of S1P receptor agonists or antagonists is not well established. JTE-013 and BML-241 (also known as CAY10444, used extensively as specific S1P2 and S1P3 receptors antagonists respectively, are cases in point. When analyzing S1P-induced vasoconstriction in mouse basilar artery, we observed that JTE-013 inhibited not only the effect of S1P, but also the effect of U46619, endothelin-1 or high KCl; JTE-013 strongly inhibited responses to S1P in S1P2 receptor knockout mice. Similarly, BML-241 has been shown to inhibit increases in intracellular Ca2+ concentration via P2 receptor or α1A-adrenoceptor stimulation and α1A-adrenoceptor-mediated contraction of rat mesenteric artery, while it did not affect S1P3-mediated decrease of forskolin-induced cyclic AMP accumulation. Another putative S1P1/3 receptor antagonist, VPC23019, does not inhibit S1P3-mediated vasoconstriction. With these examples in mind, we discuss caveats about relying on available pharmacological tools to characterize receptor subtypes.

  13. Effect of PEGylation on ligand-based targeting of drug carriers to the vascular wall in blood flow.

    Science.gov (United States)

    Onyskiw, Peter J; Eniola-Adefeso, Omolola

    2013-09-03

    The blood vessel wall plays a prominent role in the development of many life-threatening diseases and as such is an attractive target for treatment. To target diseased tissue, particulate drug carriers often have their surfaces modified with antibodies or epitopes specific to vascular wall-expressed molecules, along with poly(ethylene glycol) (PEG) to improve carrier blood circulation time. However, little is known about the effect of poly(ethylene glycol) on carrier adhesion dynamics-specifically in blood flow. Here we examine the influence of different molecular weight PEG spacers on particle adhesion in blood flow. Anti-ICAM-1 or Sialyl Lewis(a) were grafted onto polystyrene 2 μm and 500 nm spheres via PEG spacers and perfused in blood over activated endothelial cells at physiological shear conditions. PEG spacers were shown to improve, reduce, or have no effect on the binding density of targeted-carriers depending on the PEG surface conformation, shear rate, and targeting moiety.

  14. Buoyant Helical Twin-Axial Wire Antenna

    Science.gov (United States)

    2016-11-15

    February 2017 The below identified patent application is available for licensing. Requests for information should be addressed to...300169 1 of 9 BUOYANT HELICAL TWIN-AXIAL WIRE ANTENNA CROSS REFERENCE TO OTHER PATENT APPLICATIONS [0001] This application is a divisional...application and claims the benefit of the filing date of United States Patent Application No. 14/280,889; filed on May 19, 2014; and entitled “Twin-Axial

  15. Nonperturbative Aspects of Axial Vector Vertex

    Institute of Scientific and Technical Information of China (English)

    ZONG Hong-Shi; CHEN Xiang-Song; WANG Fan; CHANG Chao-Hsi; ZHAO En-Guang

    2002-01-01

    It is shown how the axial vector current of current quarks is related to that of constituent quarks within the framework of the global color symmetry model.Gluon dressing of the axial vector vertex and the quark self-energy functions are described by the inhomogeneous Bethe-Salpeter equation in the ladder approximation and the Schwinger Dyson equation in the rainbow approximation,respectively.

  16. Dechanneling function for relativistic axially channeled electrons

    International Nuclear Information System (INIS)

    Muralev, V.A.; Telegin, V.I.

    1981-01-01

    Behaviour of the x(t) dechanneling function depending on the depth is theoretically studied. Theoretical consideration of x(t) for axial channeled relativistic electrons in anisotropic medium results in two-dimensional kinetic equation with mixed derivatives of the parabolic type. The kinetic equation in the approximation of the continuous Lindchard model for relativistic axial channeled electrons is numerically solved. The depth dependence of the x(t) dechanneling function is obtained [ru

  17. Axial forces in centrifugal compressor couplings

    Science.gov (United States)

    Ivanov, A. N.; Ivanov, N. M.; Yun, V. K.

    2017-08-01

    The article presents the results of the theoretical and experimental investigation of axial forces arising in the toothed and plate couplings of centrifugal compressor shaft lines. Additional loads on the thrust bearing are considered that can develop in the toothed couplings as a result of coupled rotors misalignment. Design relationships to evaluate the level of axial forces and recommendations for their reduction in the operating conditions are given.

  18. Singlet axial constant from QCD sum rules

    International Nuclear Information System (INIS)

    Belitskij, A.V.; Teryaev, O.V.

    1995-01-01

    We analyze the singlet axial form factor of the proton for small momentum transferred in the framework of QCD sum rules using the interpolating nucleon current which explicitly accounts for the gluonic degrees of freedom. As the result we come to the quantitative prediction of the singlet axial constant. It is shown that the bilocal power corrections play the most important role in the analysis. 21 refs., 3 figs

  19. Lanthanide(III) complexes with tridentate Schiff base ligand ...

    African Journals Online (AJOL)

    The X-ray study reveals isotopic Nd/Sm binuclear structures were each metal ion is nine-coordinated in the same fashion. Both metal centers have distorted tricapped trigonal prism geometry, with the Schiff base acting as tridentate ligand. The DPPH· radical scavenging effects of the Schiff base ligand and its Ln(III) ...

  20. A potent adjuvant effect of a CD1d-binding NKT cell ligand in human immune system mice.

    Science.gov (United States)

    Li, Xiangming; Huang, Jing; Kaneko, Izumi; Zhang, Min; Iwanaga, Shiroh; Yuda, Masao; Tsuji, Moriya

    2017-01-01

    A CD1d-binding invariant natural killer T (iNKT)-cell stimulatory glycolipid, namely 7DW8-5, is shown to enhance the efficacy of radiation-attenuated sporozoites (RAS)-based malaria vaccine in mice. In the current study, we aim to determine whether 7DW8-5 can display a potent adjuvant effect in human immune system (HIS) mice. HIS-A2/hCD1d mice, which possess both functional human iNKT cells and CD8+ T cells, were generated by the transduction of NSG mice with adeno-associated virus serotype 9 expressing genes that encode human CD1d molecules and HLA-A*0201, followed by the engraftment of human hematopoietic stem cells. The magnitudes of human iNKT-cell response against 7DW8-5 and HLA-A*0201-restricted human CD8+ T-cell response against a human malaria antigen in HIS-A2/hCD1d mice were determined by using human CD1d tetramer and human HLA-A*0201 tetramer, respectively. We found that 7DW8-5 stimulates human iNKT cells in HIS-A2/hCD1d mice, as well as those derived from HIS-A2/hCD1d mice in vitro. We also found that 7DW8-5 significantly increases the level of a human malarial antigen-specific HLA-A*0201-restricted human CD8+ T-cell response in HIS-A2/hCD1d mice. Our study indicates that 7DW8-5 can display a potent adjuvant effect on RAS vaccine-induced anti-malarial immunity by augmenting malaria-specific human CD8+ T-cell response.

  1. Three-axial evaluation of whole-body vibration in agricultural telehandlers: The effects of an active cab-suspension system.

    Science.gov (United States)

    Caffaro, Federica; Preti, Christian; Micheletti Cremasco, Margherita; Cavallo, Eugenio

    2017-10-01

    Agricultural and earth-moving machinery operators are particularly exposed to whole-body vibration (WBV), which has severe effects on health and affects comfort and performance. Few studies have investigated vibrational safety and comfort issues in telescopic handlers. These vehicles are widespread in many off-road applications-such as construction, agriculture, and mining-used to handle loads and to lift persons and equipment. This study investigated the effects of an active hydro-pneumatic cab-suspension system fitted to a telehandler on a driver's vibration exposure along the x-, y-, and z-axes, through both objective and subjective assessments. Sixteen healthy professional telehandler drivers took part in the study. Objective measurements were acquired at the operator's seat, and subjective ratings were taken while participants drove the telehandler with either a deactivated or activated suspension system at 12 kph on an ISO 5008 smooth track. The results showed that the activation of the cab-suspension system reduced the root-mean-square acceleration along the x- and z-axes (p =.038 and p =.000, respectively). Moreover, the frequency analysis showed a reduction in the acceleration along the z-axis in the range of 2-25 Hz (p suspension systems are discussed.

  2. Tunable axial gauge fields in engineered Weyl semimetals: semiclassical analysis and optical lattice implementations

    Science.gov (United States)

    Roy, Sthitadhi; Kolodrubetz, Michael; Goldman, Nathan; Grushin, Adolfo G.

    2018-04-01

    In this work, we describe a toolbox to realize and probe synthetic axial gauge fields in engineered Weyl semimetals. These synthetic electromagnetic fields, which are sensitive to the chirality associated with Weyl nodes, emerge due to spatially and temporally dependent shifts of the corresponding Weyl momenta. First, we introduce two realistic models, inspired by recent cold-atom developments, which are particularly suitable for the exploration of these synthetic axial gauge fields. Second, we describe how to realize and measure the effects of such axial fields through center-of-mass observables, based on semiclassical equations of motion and exact numerical simulations. In particular, we suggest realistic protocols to reveal an axial Hall response due to the axial electric field \

  3. An axial calculation method for accurate two-dimensional PWR core simulation

    International Nuclear Information System (INIS)

    Grimm, P.

    1985-02-01

    An axial calculation method, which improves the agreement of the multiplication factors determined by two- and three-dimensional PWR neutronic calculations, is presented. The axial buckling is determined at each time point so as to reproduce the increase of the leakage due to the flattening of the axial power distribution and the effect of the axial variation of the group constants of the fuel on the reactivity is taken into account. The results of a test example show that the differences of k-eff and cycle length between two- and three-dimensional calculations, which are unsatisfactorily large if a constant buckling is used, become negligible if the results of the axial calculation are used in the two-dimensional core simulation. (Auth.)

  4. Role of ligand-ligand vs. core-core interactions in gold nanoclusters.

    Science.gov (United States)

    Milowska, Karolina Z; Stolarczyk, Jacek K

    2016-05-14

    The controlled assembly of ligand-coated gold nanoclusters (NCs) into larger structures paves the way for new applications ranging from electronics to nanomedicine. Here, we demonstrate through rigorous density functional theory (DFT) calculations employing novel functionals accounting for van der Waals forces that the ligand-ligand interactions determine whether stable assemblies can be formed. The study of NCs with different core sizes, symmetry forms, ligand lengths, mutual crystal orientations, and in the presence of a solvent suggests that core-to-core van der Waals interactions play a lesser role in the assembly. The dominant interactions originate from combination of steric effects, augmented by ligand bundling on NC facets, and related to them changes in electronic properties induced by neighbouring NCs. We also show that, in contrast to standard colloidal theory approach, DFT correctly reproduces the surprising experimental trends in the strength of the inter-particle interaction observed when varying the length of the ligands. The results underpin the importance of understanding NC interactions in designing gold NCs for a specific function.

  5. Small axial compressor technology, volume 1

    Science.gov (United States)

    Holman, F. F.; Kidwell, J. R.; Ware, T. C.

    1976-01-01

    A scaled single-stage, highly-loaded, axial-flow transonic compressor was tested at speeds from 70 to 110% design equivalent speed to evaluate the effects of scaling compromises and the individual and combined effects of rotor tip running clearance and rotor shroud casing treatment on the overall and blade element performance. At design speed and 1% tip clearance the stage demonstrated an efficiency of 83.2% at 96.4% design flow and a pressure ratio of 1.865. Casing treatment increased design speed surge margin 2.0 points to 12.8%. Overall performance was essentially unchanged. An increase in rotor running clearance to 2.2%, with smooth casing, reduced design speed peak efficiency 5.7 points, flow by 7.4%, pressure ratio to 1.740, and surge margin to 5.4%. Reinstalling casing treatment regained 3.5 points in design speed peak efficiency, 4.7% flow, increased pressure ratio to 1.800 and surge margin to 8.7%.

  6. The effect of the immunophilin ligands rapamycin and FK506 on proliferation of mast cells and other hematopoietic cell lines.

    Science.gov (United States)

    Hultsch, T; Martin, R; Hohman, R J

    1992-01-01

    The immunosuppressive drugs FK506 and cyclosporin A have an identical spectrum of activities with respect to IgE receptor (Fc epsilon RI)-mediated exocytosis from mast cells and T cell receptor-mediated transcription of IL-2. These findings suggest a common step in receptor-mediated signal transduction leading to exocytosis and transcription and imply that immunosuppressive drugs target specific signal transduction pathways, rather than specific cell types. This hypothesis is supported by studies on the effect of rapamycin on IL-3 dependent proliferation of the rodent mast cell line PT18. Rapamycin inhibits proliferation of PT18 cells, achieving a plateau of 80% inhibition at 1 nM. This inhibition is prevented in a competitive manner by FK506, a structural analogue of rapamycin. Proliferation of rat basophilic leukemia cells and WEHI-3 cells was also inhibited, at doses comparable to those shown previously to inhibit IL-2-dependent proliferation of cytotoxic T lymphocyte line (CTLL) cells. In contrast, proliferation of A-431 cells, a epidermoid cell line, was not affected by rapamycin. DNA histograms indicate that complexes formed between the rapamycin-FK506-binding protein (FKBP) and rapamycin arrest-proliferating PT18 cells in the G0/G1-phase. It is concluded that FKBP-rapamycin complexes may inhibit proliferative signals emanating from IL-3 receptors, resulting in growth arrest of cytokine-dependent, hematopoietic cells. PMID:1384815

  7. Effects of ligand priming and multiple-dose injection on tissue uptake of 111In-pentetreotide in rats

    International Nuclear Information System (INIS)

    Breeman, Wout A. P.; Jong, Marion de; Bernard, Bert F.; Bakker, Willem H.; Rolleman, Edgar J.; Kwekkeboom, Kik J.; Visser, Theo J.; Krenning, Eric P.

    1997-01-01

    In patients undergoing somatostatin receptor scintigraphy, treatment with octreotide (Sandostatin[reg]) is usually discontinued 24-48 h before and after injection with the radioligand 111 In-pentetreotide ([ 111 In-DTPA o ]octreotide) (Octreoscan[reg]) because octreotide competes with radioligand for the same receptors. However, Doerr et al. and Soresi et al. reported improved visualization of carcinoid and small cell lung cancer lesions, respectively, during continued octreotide treatment. We found that intravenous administration of unlabeled octreotide to rats inhibited the binding of an optimal dose (0.5 μg) of 111 In-pentetreotide to somatostatin receptors in pancreas and adrenals in a mass- and time-dependent way. Pretreatment with unlabeled octreotide never increased receptor binding of 111 In-pentetreotide. Administration of 100 μg of octreotide decreased receptor-bound radioactivity if given simultaneously with or 10 or 20 min after injection of the radioligand, but had no effect if given 30 min after the radioligand. These findings indicate rapid processing of receptor-bound octreotide and suggest that octreotide treatment of patients undergoing 111 In-pentetreotide scintigraphy may be reinitiated as soon as 1 h after radioligand administration

  8. Synthesis, Structural and Optical Properties of TOPO and HDA Capped Cadmium Sulphide Nanocrystals, and the Effect of Capping Ligand Concentration

    Directory of Open Access Journals (Sweden)

    Damian C. Onwudiwe

    2015-01-01

    Full Text Available The thermal decomposition of bis(N,N-diallyldithiocarbamatoCd(II in a “one-pot” synthesis in tri-n-octylphosphine oxide (TOPO and hexadecylamine (HDA afforded CdS (TOPO-CdS and HDA-CdS of varying optical properties and morphologies. The influence of the ratio of the precursor concentration to the capping molecule, as a factor affecting the morphology and size of the nanoparticles, was investigated. The particles varied in shape from spheres to rods and show quantum size effects in their optical spectra with clear differences in the photoluminescence (PL spectra. The PL spectrum of the HDA capped CdS nanoparticles has an emission maximum centred at 468, 472, and 484 nm for the precursor to HDA concentration ratio of 1 : 10, 1 : 15, and 1 : 20, respectively, while the TOPO capped nanoparticles show emission peaks at 483, 494, and 498 nm at the same concentration ratio. Powdered X-ray diffraction (p-XRD shows the nanoparticles to be hexagonal. The crystallinity of the nanoparticles was evident from high resolution transmission electron microscopy (HRTEM which gave well-defined images of particles with clear lattice fringes.

  9. Water oxidation catalyzed by mononuclear ruthenium complexes with a 2,2'-bipyridine-6,6'-dicarboxylate (bda) ligand: how ligand environment influences the catalytic behavior.

    Science.gov (United States)

    Staehle, Robert; Tong, Lianpeng; Wang, Lei; Duan, Lele; Fischer, Andreas; Ahlquist, Mårten S G; Sun, Licheng; Rau, Sven

    2014-02-03

    A new water oxidation catalyst [Ru(III)(bda)(mmi)(OH2)](CF3SO3) (2, H2bda = 2,2'-bipyridine-6,6'-dicarboxylic acid; mmi = 1,3-dimethylimidazolium-2-ylidene) containing an axial N-heterocyclic carbene ligand and one aqua ligand was synthesized and fully characterized. The kinetics of catalytic water oxidation by 2 were measured using stopped-flow technique, and key intermediates in the catalytic cycle were probed by density functional theory calculations. While analogous Ru-bda water oxidation catalysts [Ru(bda)L2] (L = pyridyl ligands) are supposed to catalyze water oxidation through a bimolecular coupling pathway, our study points out that 2, surprisingly, undergoes a single-site water nucleophilic attack (acid-base) pathway. The diversion of catalytic mechanisms is mainly ascribed to the different ligand environments, from nonaqua ligands to an aqua ligand. Findings in this work provide some critical proof for our previous hypothesis about how alternation of ancillary ligands of water oxidation catalysts influences their catalytic efficiency.

  10. The Effects of Arterial Blood Pressure Reduction on Endocan and Soluble Endothelial Cell Adhesion Molecules (CAMs and CAMs Ligands Expression in Hypertensive Patients on Ca-Channel Blocker Therapy

    Directory of Open Access Journals (Sweden)

    Refmir Tadzic

    2013-04-01

    Full Text Available Background/Aims: To determine the effect of arterial blood pressure (BP reduction on endocan and soluble cell adhesion molecules' (sCAM plasma concentration and expression of their ligands on circulatory leukocyte subpopulations. Methods: 24 hypertensive subjects of both sexes (age: 53±8 yrs were treated with Ca-channel blocker, amlodipin (5-10 mg/day for 8 weeks; to reach BP≤139/89mmHg. The serum sCAMs and endocan concentrations were determined by ELISA kits. Level of ICAM/VCAM ligands on leukocytes was assessed by flow cytometry. Paired t-test, or t-test were used as appropriate, with Pearson's correlation calculated; pResults: sICAM-1 and sVCAM-1 were decreased (p≤0.001 and p=0.002, respectively, while E-selectin concentration was increased after amlodipin treatment (P=0.014. CD11a/LFA-1 (ICAM-1 and endocan ligand was significantly increased in all three cell types with BP decrease. CD15 and CD49d/VLA-4 (VCAM-1 ligand did not change after the treatment. There was significant positive correlation of systolic and diastolic BP with ICAM-1 and VCAM-1, and significant negative correlation of systolic BP with CD11a/LFA-1. Endocan significantly positively correlated with ICAM-1. Conclusions: The increased expression of ICAM/VACM ligands, together with decrease of sCAMs and endocan suggests the de-activation of endothelium with reduction in BP, decreasing the adherence of circulatory leukocytes to endothelium; subsequently decreasing the risk for development of atherosclerosis.

  11. Bronchodilatory and anti-inflammatory effects of ASM-024, a nicotinic receptor ligand, developed for the treatment of asthma.

    Science.gov (United States)

    Assayag, Evelyne Israël; Beaulieu, Marie-Josée; Cormier, Yvon

    2014-01-01

    Conventional asthma and COPD treatments include the use of bronchodilators, mainly β2-adrenergic agonists, muscarinic receptor antagonists and corticosteroids or leukotriene antagonists as anti-inflammatory agents. These active drugs are administered either separately or given as a fixed-dose combination medication into a single inhaler. ASM-024, a homopiperazinium compound, derived from the structural modification of diphenylmethylpiperazinium (DMPP), has been developed to offer an alternative mechanism of action that could provide symptomatic control through combined anti-inflammatory and bronchodilator properties in a single entity. A dose-dependent inhibition of cellular inflammation in bronchoalveolar lavage fluid was observed in ovalbumin-sensitized mice, subsequently treated for 3 days by nose-only exposure with aerosolized ASM-024 at doses up to 3.8 mg/kg (ED50 = 0.03 mg/kg). The methacholine ED250 values indicated that airway hyperresponsivenness (AHR) to methacholine decreased following ASM-024 administration by inhalation at a dose of 1.5 mg/kg, with a value of 0.145 ± 0.032 mg/kg for ASM 024-treated group as compared to 0.088 ± 0.023 mg/kg for untreated mice. In in vitro isometric studies, ASM-024 elicited dose-dependent relaxation of isolated mouse tracheal, human, and dog bronchial preparations contracted with methacholine and guinea pig tracheas contracted with histamine. ASM-024 showed also a dose and time dependant protective effect on methacholine-induced contraction. Overall, with its combined anti-inflammatory, bronchodilating and bronchoprotective properties, ASM-024 may represent a new class of drugs with a novel pharmacological approach that could prove useful for the chronic maintenance treatment of asthma and, possibly, COPD.

  12. Cadmium (II) distribution in complex aquatic systems containing ferrihydrite, bacteria and an organic ligand: The effect of bioactivity

    International Nuclear Information System (INIS)

    Song Yantao; Swift, Simon; Swedlund, Peter J.; Singhal, Naresh

    2011-01-01

    Highlights: → Cd 2+ and ferrihydrite did not inhibit H 2 L p degradation by Comamonas spp. → In systems lacking ferrihydrite, Cd 2+ sorption onto live bacteria exceeded dead bacteria for pH > 6. → With ferrihydrite present, no difference in Cd 2+ sorption to live and dead bacteria was observed. → Cd 2+ sorption to ferrihydrite and bacterial was successfully modeled by neglecting H 2 L p degradation. - Abstract: The distribution of Cd 2+ in the presence of phthalic acid (H 2 L p ), ferrihydrite and bacteria (Comamonas spp.) was investigated in biologically active systems involving H 2 L p biodegradation. Tests showed that Cd 2+ sorption onto bacteria, ferrihydrite and bacteria-ferrihydrite mixture increased with pH in all systems, irrespective of H 2 L p degradation or not. The use of bacterial growth medium, Bushnell Hass Broth modified for low phosphate, had negligible effect on Cd sorption. In the presence of ferrihydrite, no difference was observed between Cd 2+ sorption in the ferrihydrite-live bacteria and in the ferrihydrite-dead bacteria systems as ferrihydrite proved to be the dominant sorption phase. Cadmium sorption to ferrihydrite and to bacterial cells was described using the diffuse layer model and a nonelectrostatic 4-site model, respectively, which were developed for systems lacking H 2 L p degradation. For systems experiencing H 2 L p degradation this modeling approach predicted the general trend of Cd 2+ sorption-edge shift and gave good fits to the observed sorption data. The results obtained demonstrate that Cd 2+ sorption in the biologically active system was reasonably estimated by a model developed for biologically inactive systems, although uncertainty exists due to processes involving H 2 L p biodegradation products and changes in the bacterial population.

  13. The opioid receptor pharmacology of GSK1521498 compared to other ligands with differential effects on compulsive reward-related behaviours.

    Science.gov (United States)

    Kelly, Eamonn; Mundell, Stuart J; Sava, Anna; Roth, Adelheid L; Felici, Antonio; Maltby, Kay; Nathan, Pradeep J; Bullmore, Edward T; Henderson, Graeme

    2015-01-01

    The novel opioid receptor antagonist, GSK1421498, has been shown to attenuate reward-driven compulsive behaviours, such as stimulant drug seeking or binge eating, in animals and humans. Here, we report new data on the receptor pharmacology of GSK121498, in comparison to naltrexone, naloxone, 6-β-naltrexol and nalmefene. To determine whether the novel opioid antagonist, GSK1521498, is an orthosteric or allosteric antagonist at the μ opioid receptor (MOPr) and whether it has neutral antagonist or inverse agonist properties. A combination of radioligand binding assays and [(35)S]GTPγS binding assays was employed. GSK1521498 completely displaced [(3)H]naloxone binding to MOPr and did not alter the rate of [(3)H]naloxone dissociation from MOPr observations compatible with it binding to the orthosteric site on MOPr. GSK1521498 exhibited inverse agonism when MOPr was overexpressed but not when the level of MOPr expression was low. In parallel studies under conditions of high receptor expression density, naloxone, naltrexone, 6-β-naltrexol and nalmefene exhibited partial agonism, not inverse agonism as has been reported previously for naloxone and naltrexone. In brain tissue from mice receiving a prolonged morphine pre-treatment, GSK1521498 exhibited slight inverse agonism. Differences between GSK1521498 and naltrexone in their effects on compulsive reward seeking are arguably linked to the more selective and complete MOPr antagonism of GSK1521498 versus the partial MOPr agonism of naltrexone. GSK1521498 is also pharmacologically differentiated by its inverse agonist efficacy at high levels of MOPr expression, but this may be less likely to contribute to behavioural differentiation at patho-physiological levels of expression.

  14. Identification of estrogen receptor dimer selective ligands reveals growth-inhibitory effects on cells that co-express ERα and ERβ.

    Directory of Open Access Journals (Sweden)

    Emily Powell

    Full Text Available Estrogens play essential roles in the progression of mammary and prostatic diseases. The transcriptional effects of estrogens are transduced by two estrogen receptors, ERα and ERβ, which elicit opposing roles in regulating proliferation: ERα is proliferative while ERβ is anti-proliferative. Exogenous expression of ERβ in ERα-positive cancer cell lines inhibits cell proliferation in response to estrogen and reduces xenografted tumor growth in vivo, suggesting that ERβ might oppose ERα's proliferative effects via formation of ERα/β heterodimers. Despite biochemical and cellular evidence of ERα/β heterodimer formation in cells co-expressing both receptors, the biological roles of the ERα/β heterodimer remain to be elucidated. Here we report the identification of two phytoestrogens that selectively activate ERα/β heterodimers at specific concentrations using a cell-based, two-step high throughput small molecule screen for ER transcriptional activity and ER dimer selectivity. Using ERα/β heterodimer-selective ligands at defined concentrations, we demonstrate that ERα/β heterodimers are growth inhibitory in breast and prostate cells which co-express the two ER isoforms. Furthermore, using Automated Quantitative Analysis (AQUA to examine nuclear expression of ERα and ERβ in human breast tissue microarrays, we demonstrate that ERα and ERβ are co-expressed in the same cells in breast tumors. The co-expression of ERα and ERβ in the same cells supports the possibility of ERα/β heterodimer formation at physio- and pathological conditions, further suggesting that targeting ERα/β heterodimers might be a novel therapeutic approach to the treatment of cancers which co-express ERα and ERβ.

  15. Adjuvant effects of mannose-binding lectin ligands on the immune response to infectious bronchitis vaccine in chickens with high or low serum mannose-binding lectin concentrations

    DEFF Research Database (Denmark)

    Kjærup, Rikke Munkholm; Dalgaard, Tina Sørensen; Norup, Liselotte Rothmann

    2014-01-01

    in the pathogenesis of IBV infection and the production of IBV-specific antibodies, which may be exploited in optimising IBV vaccine strategies. The present study shows that MBL has the capability to bind to IBV in vitro. Chickens from two inbred lines (L10H and L10L) selected for high or low MBL serum concentrations......, respectively, were vaccinated against IBV with or without the addition of the MBL ligands mannan, chitosan and fructooligosaccharide (FOS). The addition of MBL ligands to the IBV vaccine, especially FOS, enhanced the production of IBV-specific IgG antibody production in L10H chickens, but not L10L chickens...... to the vaccine, most pronouncedly after the first vaccination. As MBL ligands co-administered with IBV vaccine induced differences between the two chicken lines, these results indirectly suggest that MBL is involved in the immune response to IBV vaccination. Furthermore, the higher antibody response in L10H...

  16. Hyperquenched hyaloclastites from Axial Seamount

    Science.gov (United States)

    Zezin, D.; Helo, C.; Richard, D.; Clague, D. A.; Dingwell, D. B.; Stix, J.

    2009-12-01

    We determined apparent cooling rates for basaltic hyaloclastites from Axial caldera, Juan de Fuca Ridge. Samples originate from different stratigraphic layers within the unconsolidated volcaniclastic sequences, on flanks of the volcanic edifice. Water depth is ~1400 m below sea level. The hyaloclastite glass fragments comprise two principal morphologies: (1) angular fragments, and (2) thin glassy melt films interpreted as bubble walls, called deep-sea limu o Pele. A natural cooling rate was estimated for each sample of ~50 carefully selected glass shards. The heat capacity was first measured with a differential scanning calorimeter in two heating scans with heating rates of 20 K/min, and a matching cooling rate between those scans. The fictive temperatures Tf were then determined from both heating cycles, and the natural cooling rate derived by the non-Arrhenian relationship between Tf and cooling rate. All samples display hyperquenched states, manifested in a strong exothermic energy release during the initial heating cycle before reaching the glass transition. Cooling rates range from 10 6.73 K/s to 10 3.94 K/s for the limu, and 10 4.92 K/s to 10 2.34 K/s for the angular fragments. Almost all samples of limu shards show elevated cooling rates compared to their angular counterparts of comparable grain mass. In addition, the exothermic part of the enthalpy curves reveal two superimposed relaxation domains, the main broad exothermal peak, ranging from ~350 K to the onset of the glass transition, and a small subordinate peak/shoulder occurring between 550 K and 700 K. The magnitude of the latter varies from clearly identifiable to nearly absent, and tends to be more pronounced in curves obtained from angular fragments. The main exothermal peak is related to the frozen-in structure of the glass and consequently to its thermal history when passing through the glass transition. The subordinate peak may represent strain rate-induced and tensile stress accumulation

  17. Collective Order within Family; An Axial Phenomenon regarding the Effect of Islamic Teachings on the ‎Economic Action of Family: A Study Based on the Grounded Theory

    Directory of Open Access Journals (Sweden)

    ‎ V. Arshadi

    2016-02-01

    Full Text Available The present article aims to identify the intermediate factors regarding the effect of Islamic teachings on family economic action through an interpretative and multifactorial approach. The method is qualitative and is based on grounded theory method”. Due to the interdisciplinary nature of the matter, a semi-structured interview with 16 experts on Islamic economy, Muslim consumer behavior, educational sciences, psychology and sociology and the issue of values and actions has served as the main research tool. The samples were selected through purposive sampling and snowball method, and interviews were conducted to the point of theoretical saturation. Findings of data analysis in this three steps show that factors such as the synergy of the high quality of transfer of teachings from formal and informal education institutes, high quality of the perception of teachings by family members, high quality of family income resources, and faith and belief in the accountability in the Hereafter can create collective order within family based on the subjective value of Islamic economic teaching. The collective order is influenced by "underlying" and "structural" factors and leads to discretion behavior. This paper is also innovative in terms of its profound look into the formation of economic behavior within the family.

  18. The Effect of Air Preheat at Atmospheric Pressure on the Formation of NO(x) in the Quick-Mix Sections of an Axially Staged Combustor

    Science.gov (United States)

    Vardakas, M. A.; Leong, M. Y.; Brouwer, J.; Samuelsen, G. S.; Holdeman, J. D.

    1999-01-01

    The Rich-burn/Quick-mix/Lean-burn (RQL) combustor concept has been proposed to minimize the formation of nitrogen oxides (NO(x)) in gas turbine systems. The success of this combustor strategy is dependent upon the efficiency of the mixing section bridging the fuel-rich and fuel-lean stages. Note that although these results were obtained from an experiment designed to study an RQL mixer, the link between mixing and NOx signatures is considerably broader than this application, in that the need to understand this link exists in most advanced combustors. The experiment reported herein was designed to study the effects of inlet air temperature on NO(x) formation in a mixing section. The results indicate that NO(x) emission is increased for all preheated cases compared to non-preheated cases. When comparing the various mixing modules, the affect of jet penetration is important, as this determines where NO(x) concentrations peak, and affects overall NO(x) production. Although jet air comprises 70 percent of the total airflow, the impact that jet air preheat has on overall NO(x) emissions is small compared to preheating both main and jet air flow.

  19. Effect of cobratoxin binding on the normal mode vibration within acetylcholine binding protein.

    Science.gov (United States)

    Bertaccini, Edward J; Lindahl, Erik; Sixma, Titia; Trudell, James R

    2008-04-01

    Recent crystal structures of the acetylcholine binding protein (AChBP) have revealed surprisingly small structural alterations upon ligand binding. Here we investigate the extent to which ligand binding may affect receptor dynamics. AChBP is a homologue of the extracellular component of ligand-gated ion channels (LGICs). We have previously used an elastic network normal-mode analysis to propose a gating mechanism for the LGICs and to suggest the effects of various ligands on such motions. However, the difficulties with elastic network methods lie in their inability to account for the modest effects of a small ligand or mutation on ion channel motion. Here, we report the successful application of an elastic network normal mode technique to measure the effects of large ligand binding on receptor dynamics. The present calculations demonstrate a clear alteration in the native symmetric motions of a protein due to the presence of large protein cobratoxin ligands. In particular, normal-mode analysis revealed that cobratoxin binding to this protein significantly dampened the axially symmetric motion of the AChBP that may be associated with channel gating in the full nAChR. The results suggest that alterations in receptor dynamics could be a general feature of ligand binding.

  20. Design and synthesis of a cyclitol-derived scaffold with axial pyridyl appendages and its encapsulation of the silver(I cation

    Directory of Open Access Journals (Sweden)

    Pierre-Marc Léo

    2010-10-01

    Full Text Available Conversion of a myo-inositol derivative into a scyllo-inositol-derived scaffold with C3v symmetry bearing three axial pyridyl appendages is presented. This pre-organized hexadentate ligand allows complexation of silver(I. The crystal structure of the complex was established.

  1. Manganese (III) cyclam complexes with aqua, iodo, nitrito, perchlorato and acetic acid/acetato axial ligands

    DEFF Research Database (Denmark)

    Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni

    2005-01-01

    of the complexes as high-spin d(4) systems. trans-[Mn(cyclam)(OH2)(2)](CF3SO3)(3)center dot H2O is shown to be a convenient starting material for the syntheses of trans cyclam complexes. [Mn(cyclam)(CH3COO)(CH3COOH)](ClO4)(2) exhibits extremely short intermolecular hydrogen bonds resulting in a pseudo-chain...

  2. Isolation and characterization of a microperoxidase-8 with a modified histidine axial ligand

    NARCIS (Netherlands)

    Primus, J.L.; Boeren, S.; Nielen, M.W.F.; Vervoort, J.; Banci, L.; Rietjens, I.M.C.M.

    2002-01-01

    Microperoxidase-8, Fe(III)MP-8, the heme octapeptide obtained by horse heart cytochrome c digestion, was studied in the presence of H 2O 2. A modified form of the catalyst was isolated by HPLC and showed a UV/visible spectrum similar to that of Fe(III)MP-8. ESI-MS measurements revealed a 16 Da

  3. Laboratory Test Setup for Cyclic Axially Loaded Piles in Sand

    DEFF Research Database (Denmark)

    Thomassen, Kristina; Ibsen, Lars Bo; Andersen, Lars Vabbersgaard

    2017-01-01

    This paper presents a comprehensive description and the considerations regarding the design of a new laboratory test setup for testing cyclic axially loaded piles in sand. The test setup aims at analysing the effect of axial one-way cyclic loading on pile capacity and accumulated displacements....... Another aim was to test a large diameter pile segment with dimensions resembling full-scale piles to model the interface properties between pile and sand correctly. The pile segment was an open-ended steel pipe pile with a diameter of 0.5 m and a length of 1 m. The sand conditions resembled the dense sand...... determined from the API RP 2GEO standard and from the test results indicated over consolidation of the sand. Two initial one-way cyclic loading tests provided results of effects on pile capacity and accumulated displacements in agreement with other researchers’ test results....

  4. Does the reason for discontinuation of a first TNF inhibitor influence the effectiveness of a second TNF inhibitor in axial spondyloarthritis? Results from the Swiss Clinical Quality Management Cohort.

    Science.gov (United States)

    Ciurea, Adrian; Exer, Pascale; Weber, Ulrich; Tamborrini, Giorgio; Steininger, Beate; Kissling, Rudolf O; Bernhard, Jürg; Scherer, Almut

    2016-03-22

    With regard to switching tumor necrosis factor inhibitors (TNFi) in axial spondyloarthritis (axSpA), conflicting results have been reported as to whether the effectiveness of a second TNFi depends on the reason for discontinuation of the first TNFi. Patients with a clinical diagnosis of axSpA starting a second TNFi in the Swiss Clinical Quality Management cohort were included. Effectiveness of treatment at 1 year, as well as drug survival, was compared between subgroups having discontinued the first TNFi because of lack of response, adverse events (AEs), or other reasons. Lack of response was further divided into primary or secondary lack of response (PLR or SLR, respectively), depending on whether the first TNFi was stopped before or after 6 months of treatment. Among 632 patients with axSpA, median survival of a second TNFi was 1.1 years after PLR and 3.8 years after SLR (p = 0.003). At least moderate disease activity as defined by an Ankylosing Spondylitis Disease Activity Score using the erythrocyte sedimentation rate (ASDAS-ESR) reasons, respectively (p = 0.01). Only 4 % of patients achieved an ASDAS-ESR inactive disease state after PLR, in comparison to 22 % of those after SLR. Similar results were demonstrated in patients fulfilling the Assessment of SpondyloArthritis international Society classification criteria for axSpA (n = 488): ASDAS-ESR reasons, respectively (p = 0.01). The effectiveness of a second TNFi is significantly impaired in patients with axSpA after PLR to a first TNFi compared with SLR.

  5. Ligand Depot: a data warehouse for ligands bound to macromolecules.

    Science.gov (United States)

    Feng, Zukang; Chen, Li; Maddula, Himabindu; Akcan, Ozgur; Oughtred, Rose; Berman, Helen M; Westbrook, John

    2004-09-01

    Ligand Depot is an integrated data resource for finding information about small molecules bound to proteins and nucleic acids. The initial release (version 1.0, November, 2003) focuses on providing chemical and structural information for small molecules found as part of the structures deposited in the Protein Data Bank. Ligand Depot accepts keyword-based queries and also provides a graphical interface for performing chemical substructure searches. A wide variety of web resources that contain information on small molecules may also be accessed through Ligand Depot. Ligand Depot is available at http://ligand-depot.rutgers.edu/. Version 1.0 supports multiple operating systems including Windows, Unix, Linux and the Macintosh operating system. The current drawing tool works in Internet Explorer, Netscape and Mozilla on Windows, Unix and Linux.

  6. Effect of iodide on Fas, Fas-ligand and Bcl-w mRNA expression in thyroid of NOD mice pretreated with methimazole

    Directory of Open Access Journals (Sweden)

    L.H.B. Boechat

    2002-03-01

    Full Text Available Nonobese diabetic (NOD mice and a derived strain, NOD.H.2h4, have been used as a model for experimental spontaneous thyroiditis and thyroiditis induced by iodide excess after a goiter-inducing period. Some authors have proposed that iodide, given after methimazole or propylthiouracil, is capable of inducing apoptosis in thyroid cells and that anti-thyroid drugs can modulate the expression of apoptosis components such as Fas and its ligand (Fas-L. Here we evaluated the effect of potassium iodide (20 µg/animal for 4 days, ip given to NOD mice at the 10th week of life after exposure to methimazole (1 mg/ml in drinking water from the 4th to the 10th week of life. Fas, Fas-L and Bcl-w expression were analyzed semiquantitatively by RT-PCR immediately after potassium iodide administration (group MI44D or at week 32 (MI32S. Control groups were added at 10 (C10 and 32 weeks (C32, as well as a group that received only methimazole (CM10. An increase in the expression of Fas-L and Bcl-w (P<0.01, ANOVA was observed in animals of group MI44D, while Fas was expressed at higher levels (P = 0.02 in group C32 (72.89 ± 47.09 arbitrary units when compared to group C10 (10.8 ± 8.55 arbitrary units. Thus, the analysis of Fas-L and Bcl-w expression in the MI44D group and Fas in group C32 allowed us to detect two different patterns of expression of these apoptosis components in thyroid tissue of NOD mice.

  7. Structure of human POFUT1, its requirement in ligand-independent oncogenic Notch signaling, and functional effects of Dowling-Degos mutations

    Energy Technology Data Exchange (ETDEWEB)

    McMillan, Brian J.; Zimmerman, Brandon; Egan, Emily D.; Lofgren, Michael; Xu, Xiang; Hesser, Anthony; Blacklow, Stephen C.

    2017-03-17

    Protein O-fucosyltransferase-1 (POFUT1), which transfers fucose residues to acceptor sites on serine and threonine residues of epidermal growth factor-like repeats of recipient proteins, is essential for Notch signal transduction in mammals. Here, we examine the consequences of POFUT1 loss on the oncogenic signaling associated with certain leukemia-associated mutations of human Notch1, report the structures of human POFUT1 in free and GDP-fucose bound states, and assess the effects of Dowling-Degos mutations on human POFUT1 function. CRISPR-mediated knockout of POFUT1 in U2OS cells suppresses both normal Notch1 signaling, and the ligand-independent signaling associated with leukemogenic mutations of Notch1. Normal and oncogenic signaling are rescued by wild-type POFUT1 but rescue is impaired by an active-site R240A mutation. The overall structure of the human enzyme closely resembles that of the Caenorhabditis elegans protein, with an overall backbone RMSD of 0.93 Å, despite primary sequence identity of only 39% in the mature protein. GDP-fucose binding to the human enzyme induces limited backbone conformational movement, though the side chains of R43 and D244 reorient to make direct contact with the fucose moiety in the complex. The reported Dowling-Degos mutations of POFUT1, except for M262T, fail to rescue Notch1 signaling efficiently in the CRISPR-engineered POFUT1-/- background. Together, these studies identify POFUT1 as a potential target for cancers driven by Notch1 mutations and provide a structural roadmap for its inhibition.

  8. Effects of Introducing Methoxy Groups into the Ancillary Ligands in Bis(diimine Copper(I Dyes for Dye-Sensitized Solar Cells

    Directory of Open Access Journals (Sweden)

    Annika Büttner

    2018-04-01

    Full Text Available A systematic investigation of four heteroleptic bis(diimine copper(I dyes in n-type Dye-Sensitized Solar Cells (DSSCs is presented. The dyes are assembled using a stepwise, on-surface assembly. The dyes contain a phosphonic acid-functionalized 2,2′-bipyridine (bpy anchoring domain (5 and ancillary bpy ligands that bear peripheral phenyl (1, 4-methoxyphenyl (2, 3,5-dimethoxyphenyl (3, or 3,4,5-trimethoxyphenyl (4 substituents. In masked DSSCs, the best overall photoconversion efficiency was obtained with the dye [Cu(5(4]+ (1.96% versus 5.79% for N719. Values of JSC for both [Cu(5(2]+ (in which the 4-MeO group is electron releasing and [Cu(5(4]+ (which combines electron-releasing and electron-withdrawing effects of the 4- and 3,5-substituents and are enhanced with respect to [Cu(5(1]+. DSSCs with [Cu(5(3]+ show the lowest JSC. Solid-state absorption spectra and external quantum efficiency spectra reveal that [Cu(5(4]+ benefits from an extended spectral range at higher energies. Values of VOC are in the order [Cu(5(4]+ > [Cu(5(1]+ > [Cu(5(2]+ > [Cu(5(3]+. Density functional theory calculations suggest that methoxyphenyl character in MOs within the HOMO manifold in [Cu(5(2]+ and [Cu(5(4]+ may contribute to the enhanced performances of these dyes with respect to [Cu(5(1]+.

  9. The nucleon axial charge in full lattice QCD

    International Nuclear Information System (INIS)

    Edwards, R.G.; Richards, D.G.; Fleming, G.T.; Haegler, P.; Technische Univ. Muenchen, Garching; Negele, J.W.; Pochinsky, A.V.; Orginos, K.; College of William and Mary, Williamsburg, VA; Renner, D.B.; Schroers, W.

    2005-10-01

    The nucleon axial charge is calculated as a function of the pion mass in full QCD. Using domain wall valence quarks and improved staggered sea quarks, we present the first calculation with pion masses as light as 354 MeV and volumes as large as (3.5 fm) 3 . We show that finite volume effects are small for our volumes and that a constrained fit based on finite volume chiral perturbation theory agrees with experiment within 7% statistical errors. (orig.)

  10. Role of ligands in permanganate oxidation of organics.

    Science.gov (United States)

    Jiang, Jin; Pang, Su-Yan; Ma, Jun

    2010-06-01

    We previously demonstrated that several ligands such as phosphate, pyrophosphate, EDTA, and humic acid could significantly enhance permanganate oxidation of triclosan (one phenolic biocide), which was explained by the contribution of ligand-stabilized reactive manganese intermediates in situ formed upon permanganate reduction. To further understand the underlying mechanism, we comparatively investigated the influence of ligands on permanganate oxidation of bisphenol A (BPA, one phenolic endocrine-disrupting chemical), carbamazepine (CBZ, a pharmaceutical containing the olefinic group), and methyl p-tolyl sulfoxide (TMSO, a typical oxygen-atom acceptor). Selected ligands exerted oxidation enhancement for BPA but had negligible influence for CBZ and TMSO. This was mainly attributed to the effects of identified Mn(III) complexes, which would otherwise disproportionate spontaneously in the absence of ligands. The one-electron oxidant Mn(III) species exhibited no reactivity toward CBZ and TMSO for which the two-electron oxygen donation may be the primary oxidation mechanism but readily oxidized BPA. The latter case was a function of pH, the complexing ligand, and the molar [Mn(III)]:[ligand] ratio, generally consistent with the patterns of ligand-affected permanganate oxidation. Moreover, the combination of the one-electron reduction of Mn(III) (Mn(III) + e(-) -->Mn(II)) and the Mn(VII)/Mn(II) reaction in excess ligands (Mn(VII) + 4Mn(II) ----> (ligands) 5Mn(III)) suggested a catalytic role of the Mn(III)/Mn(II) pair in permanganate oxidation of some phenolics in the presence of ligands.

  11. Metal-ligand interactions

    Science.gov (United States)

    Ervin, Kent M.

    Experimental studies of the interactions of small transition-metal cluster anions with carbonyl ligands are reviewed and compared with neutral and cationic clusters. Under thermal conditions, the reaction rates of transition-metal clusters with carbon monoxide are measured as a function of cluster size. Saturation limits for carbon monoxide addition can be related to the geometric structures of the clusters. Both energy-resolved threshold collision-induced dissociation experiments and time-resolved photodissociation experiments are used to measure metal-carbonyl binding energies. For platinum and palladium trimer anions, the carbonyl binding energies are assigned to different geometric binding sites. Platinum and palladium cluster anions catalyse the oxidation of carbon monoxide to carbon dioxide in a full catalytic cycle at thermal energies.

  12. Melatonin: functions and ligands.

    Science.gov (United States)

    Singh, Mahaveer; Jadhav, Hemant R

    2014-09-01

    Melatonin is a chronobiotic substance that acts as synchronizer by stabilizing bodily rhythms. Its synthesis occurs in various locations throughout the body, including the pineal gland, skin, lymphocytes and gastrointestinal tract (GIT). Its synthesis and secretion is controlled by light and dark conditions, whereby light decreases and darkness increases its production. Thus, melatonin is also known as the 'hormone of darkness'. Melatonin and analogs that bind to the melatonin receptors are important because of their role in the management of depression, insomnia, epilepsy, Alzheimer's disease (AD), diabetes, obesity, alopecia, migraine, cancer, and immune and cardiac disorders. In this review, we discuss the mechanism of action of melatonin in these disorders, which could aid in the design of novel melatonin receptor ligands. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

    International Nuclear Information System (INIS)

    Zhao Jing; Liang Jingjing; Pan Yingli; Zhang Yong; Jia Dingxian

    2011-01-01

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

  14. A Spectroscopic Study of the effect of Ligand Complexation on the Reduction of Uranium(VI) by Anthraquinone-2,6-disulfonate (AH2DS)

    International Nuclear Information System (INIS)

    Wang, Zheming; Wagnon, Ken B.; Ainsworth, Calvin C.; Liu, Chongxuan; Rosso, Kevin M.; Fredrickson, Jim K.

    2008-01-01

    In this project, the reduction rate of uranyl complexes with hydroxide, carbonate, EDTA, and Desferriferrioxamine B (DFB) by anthraquinone-2,6-disulfonate (AH2DS), a potential electron shuttle for microbial reduction of metal ions (Newman and Kolter 2000), is studied by stopped-flow kinetics techniques under anoxic atmosphere. The apparent reaction rates varied with ligand type, solution pH, and U(VI) concentration. For each ligand, a single largest kobs within the studied pH range was observed, suggesting the influence of pH-dependent speciation on the U(VI) reduction rate. The maximum reaction rate found in each case followed the order of OH- > CO32- > EDTA > DFB, consistent with the same trend of the thermodynamic stability of the uranyl complexes and ionic sizes of the ligands. Increasing the stability of uranyl complexes and ligand size decreased the maximum reduction rate. The pH-dependent rates were modeled using a second-order rate expression that was assumed to be dependent on a single U(VI) complex and AH2DS species. By quantitatively comparing the calculated and measured apparent rate constants as a function of pH, species AHDS3- was suggested as the primary reductant in all cases examined. Species UO2CO3(aq) , UO2HEDTA-, and (UO2)2(OH)22+ were suggested as the principal electron acceptors among the U(VI) species mixture in carbonate, EDTA, and hydroxyl systems, respectively

  15. Dynamics and stability of transverse vibrations of nonlocal nanobeams with a variable axial load

    International Nuclear Information System (INIS)

    Li, C; Yu, J L; Lim, C W

    2011-01-01

    This paper investigates the natural frequency, steady-state resonance and stability for the transverse vibrations of a nanobeam subjected to a variable initial axial force, including axial tension and axial compression, based on nonlocal elasticity theory. It is reported that the nonlocal nanoscale has significant effects on vibration behavior, which results in a new effective nonlocal bending moment different to but dependent on the corresponding nonlocal bending moment. The effects of nonlocal nanoscale and the variation of initial axial force on the natural frequency as well as the instability regions are analyzed by the perturbation method. It concludes that both the nonlocal nanoscale and the initial tension, including static and dynamic tensions, cause an increase in natural frequency, while an initial compression causes the natural frequency to decrease. Instability regions are also greatly influenced by the nonlocal nanoscale and initial tension and they become smaller with stronger nonlocal effects or larger initial tension

  16. Vector and axial constants of the baryon decuplet

    International Nuclear Information System (INIS)

    Belyaev, V.M.; Blok, B.Y.; Kogan, Y.I.

    1985-01-01

    On the basis of the QCD sum rules for the polarization operator in external axial and vector fields we determine the vector and axial transition constants in the 3/2 + baryon decuplet. We show that the renormalization of the axial constant is due to the interaction of the external axial field with the quark condensate

  17. Δ(1232) Axial Charge and Form Factors from Lattice QCD

    International Nuclear Information System (INIS)

    Alexandrou, Constantia; Gregory, Eric B.; Korzec, Tomasz; Koutsou, Giannis; Negele, John W.; Sato, Toru; Tsapalis, Antonios

    2011-01-01

    We present the first calculation on the Δ axial vector and pseudoscalar form factors using lattice QCD. Two Goldberger-Treiman relations are derived and examined. A combined chiral fit is performed to the nucleon axial charge, N to Δ axial transition coupling constant and Δ axial charge.

  18. Taming axial dispersion in hydrodynamic chromatography columns through wall patterning

    Science.gov (United States)

    Adrover, Alessandra; Cerbelli, Stefano; Giona, Massimiliano

    2018-04-01

    A well-known limitation of hydrodynamic chromatography arises from the synergistic interaction between transverse diffusion and streamwise convection, which enhances axial dispersion through the Taylor-Aris mechanism. We show that a periodic sequence of slip/no-slip conditions at the channel walls (e.g., representing wall indentations hosting stable air pockets) can significantly reduce axial dispersion, thus enhancing separation performance. The theoretical/numerical analysis is based on a generalization of Brenner's macrotransport approach to solute transport, here modified to account for the finite-size of the suspended particles. The most effective dispersion-taming outcome is observed when the alternating sequence of slip/no-slip conditions yields non-vanishing cross-sectional flow components. The combination of these components with the hindering interaction between the channel boundaries and the finite-sized particles gives rise to a non-trivial solution of Brenner's problem on the unit periodic cell, where the cross-sectional particle number density departs from the spatially homogeneous condition. In turn, this effect impacts upon the solution of the so-called b-field defining the large-scale dispersion tensor, with an overall decremental effect on the axial dispersion coefficient and on the Height Equivalent of a Theoretical Plate.

  19. Using axial magnetized permanent rings to build axial gradient magnetic field

    International Nuclear Information System (INIS)

    Peng Quanling

    2003-01-01

    Axial field produced by an axially magnetized permanent ring was studied. For two permanent magnet rings, if they are magnetized in the same direction, a nearly uniform axial field can be produced; if they are magnetized in opposite direction, an axial gradient field can be produced in the region between the two permanent rings, with the field strength changing from -B 0 to B 0 . A high gradient axial magnetic field has been built by using two axially magnetized permanent rings, the measured field results agree with the PANDIRA calculation very well. It is desirable that the field gradient can be varied to match various requirements. A method to produce the variable gradient field is presented. Axial gradient field can also be used as a beam focusing facility for linear accelerator if axial periodic field can be produced. Its magnetic field is similar to that of a solenoid, in which, large stray field will leak to the outside environment. A method for shielding the outside stray field is discussed

  20. Optimization of residual heat removal pump axial thrust and axial bearing

    International Nuclear Information System (INIS)

    Schubert, F.

    1996-01-01

    The residual heat removal (RHR) pumps of German 1300 megawatt pressurized-water reactor (PWR) power plants are of the single stage end suction type with volute casing or with diffuser and forged circular casing. Due to the service conditions the pumps have to cover the full capacity range as well as a big variation in suction static pressure. This results in a big difference in the axial thrust that has to be borne by the axial bearing. Because these pumps are designed to operate without auxiliary systems (things that do not exist can not fail), they are equipped with antifriction bearings and sump oil lubrication. To minimize the heat production within the bearing casing, a number of PWR plants have pumps with combined axial/radial bearings of the ball type. Due to the fact that the maximum axial thrust caused by static pressure and hydrodynamic forces on the impeller is too big to be borne by that type of axial bearing, the impellers were designed to produce a hydrodynamic axial force that counteracts the static axial force. Thus, the resulting axial thrust may change direction when the static pressure varies