WorldWideScience

Sample records for axial ligand effects

  1. Effect of axial ligands on the molecular configurations, stability, reactivity, and photodynamic activities of silicon phthalocyanines.

    Science.gov (United States)

    Luan, Liqiang; Ding, Lanlan; Shi, Jiawei; Fang, Wenjuan; Ni, Yuxing; Liu, Wei

    2014-12-01

    To demonstrate the effect of axial ligands on the structure-activity relationship, a series of axially substituted silicon phthalocyanines (SiPcs) have been synthesized with changes to the axial ligands. The reactivity of the axial ligand upon shielding by the phthalocyanine ring current, along with their stability, photophysical, and photodynamic therapy (PDT) activities were compared and evaluated for the first time. As revealed by single-crystal XRD analysis, rotation of the axial -OMe ligands was observed in SiPc 3, which resulted in two molecular configurations coexisting synchronously in both the solid and solution states and causing a split of the phthalocyanine α protons in the (1)H NMR spectra that is significantly different from all SiPcs reported so far. The remarkable photostability, good singlet oxygen quantum yield, and efficient in vitro photodynamic activity synergistically show that compound 3 is one of the most promising photosensitizers for PDT.

  2. The effect of axial ligands on the quantum yield of singlet oxygen of new silicon phthalocyanine

    Science.gov (United States)

    Lv, Huafei; Zhang, Xuemei; Yu, Xinxin; Pan, Sujuan; Xie, Shusen; Yang, Hongqin; Peng, Yiru

    2016-10-01

    The singlet oxygen (1O2) production abilitity is an important factor to assess their potential as effective of photosensitizers. In this paper, the 1O2 production rate, production rate constant and quantum yield of silicon(IV) phthalocyanine axially bearing 1-3 generation dendritic substituents were evaluated by a high performance liquid chromatographic method. The results show that the 1O2 production rate and production rate constant of these compounds increase gradually with dendritic generations increase. And the 1O2 quantum yield of silicon(IV) phthalocyanine with first generation dendritic ligand was the highest. This may be due to the isolation effect of the dendritic ligands on the phthalocyanine core. The parameters of the observed 1O2 production properties will provide valuable data for these dendrimer phthalocyanines as promising photosensitizer in PDT application.

  3. Axial ligand effects on vibrational dynamics of iron in heme carbonyl studied by nuclear resonance vibrational spectroscopy.

    Science.gov (United States)

    Ohta, Takehiro; Liu, Jin-Gang; Saito, Makina; Kobayashi, Yasuhiro; Yoda, Yoshitaka; Seto, Makoto; Naruta, Yoshinori

    2012-11-29

    Nuclear resonance vibrational spectroscopy (NRVS) and density functional theory calculation (DFT) have been applied to illuminate the effect of axial ligation on the vibrational dynamics of iron in heme carbonyl. The analyses of the NRVS data of five- (5c) and six-coordinate (6c) heme-CO complexes indicate that the prominent feature of (57)Fe partial vibrational density of state ((57)FePVDOS) at the 250-300 cm(-1) region is significantly affected by the association of the axial ligand. The DFT calculations predict that the prominent (57)FePVDOS is composed of iron in-plane motions which are coupled with porphyrin pyrrole in-plane (ν(49), ν(50), and ν(53)), an out-of-plane (γ(8)) (two of four pyrrole rings include the in-plane modes, while the rest of pyrrole rings vibrate along the out-of-plane coordinate), and out-of-phase carbonyl C and O atom displacement perpendicular to the Fe-C-O axis. Thus, in the case of the 5c CO-heme the prominent (57)FePVDOS shows sharp and intense feature because of the degeneracy of the e symmetry mode within the framework of C(4v) symmetry molecule, whereas the association of the axial imidazole ligand in the 6c complex with the lowered symmetry results in split of the degenerate vibrational energy as indicated by broader and lower intensity features of the corresponding NRVS peak compared to the 5c structure. The vibrational energy of the iron in-plane motion in the 6c complex is higher than that in 5c, implying that the iron in the 6c complex includes stronger in-plane interaction with the porphyrin compared to 5c. The iron in-plane mode above 500 cm(-1), which is predominantly coupled with the out-of-phase carbonyl C and O atom motion perpendicular to Fe-C-O, called as Fe-C-O bending mode (δ(Fe-C-O)), also suggests that the 6c structure involves a larger force constant for the e symmetry mode than 5c. The DFT calculations along with the NRVS data suggest that the stiffened iron in-plane motion in the 6c complex can be ascribed

  4. Axial Ligand Effects on the Structures of Self-Assembled Gallium-Porphyrin Monolayers on Highly Oriented Pyrolytic Graphite.

    Science.gov (United States)

    Kamm, Judith M; Iverson, Cameron P; Lau, Wing-Yeung; Hopkins, Michael D

    2016-01-19

    Monolayers of five-coordinate gallium octaethylporphyrin complexes (Ga(OEP)X; X = Cl, Br, I, O3SCF3, CCPh) on highly oriented pyrolytic graphite were studied at the solid-liquid (1-phenyloctane) interface using scanning tunneling microscopy (STM) to probe the dependence of their properties on the nature of the axial X ligand. Density functional theory calculations of the gas-phase structures of the free molecules reveal that the gallium atom is positioned above the plane of the porphyrin macrocycle, with this pyramidal distortion increasing in magnitude according to X = O3SCF3 (displacement = 0.35 Å) monolayers are sensitive to the nature of the axial ligand: the monolayers of Ga(OEP)(O3SCF3) and Ga(OEP)(CCPh) exhibit damage during the STM experiment upon repeated scanning and upon toggling the sign of the bias potential, but monolayers of Ga(OEP)Cl, Ga(OEP)Br, and Ga(OEP)I do not. A second important ligand-influenced property is that Ga(OEP)I forms bilayer structures, whereas the other Ga(OEP)X compounds form monolayers exclusively under identical conditions. The top layer of the Ga(OEP)I bilayer is oriented with the iodo ligand directed away from the surface, like the bottom layer, but the molecules pack in a square, lower-density geometry. The comparatively large polarizability of the iodo ligand is suggested to be important in stabilizing the bilayer structure.

  5. Water-Soluble Iron(IV)-Oxo Complexes Supported by Pentapyridine Ligands: Axial Ligand Effects on Hydrogen Atom and Oxygen Atom Transfer Reactivity.

    Science.gov (United States)

    Chantarojsiri, Teera; Sun, Yujie; Long, Jeffrey R; Chang, Christopher J

    2015-06-15

    We report the photochemical generation and study of a family of water-soluble iron(IV)-oxo complexes supported by pentapyridine PY5Me2-X ligands (PY5Me2 = 2,6-bis(1,1-bis(2-pyridyl)ethyl)pyridine; X = CF3, H, Me, or NMe2), in which the oxidative reactivity of these ferryl species correlates with the electronic properties of the axial pyridine ligand. Synthesis of a systematic series of [Fe(II)(L)(PY5Me2-X)](2+) complexes, where L = CH3CN or H2O, and characterizations by several methods, including X-ray crystallography, cyclic voltammetry, and Mössbauer spectroscopy, show that increasing the electron-donating ability of the axial pyridine ligand tracks with less positive Fe(III)/Fe(II) reduction potentials and quadrupole splitting parameters. The Fe(II) precursors are readily oxidized to their Fe(IV)-oxo counterparts using either chemical outer-sphere oxidants such as CAN (ceric ammonium nitrate) or flash-quench photochemical oxidation with [Ru(bpy)3](2+) as a photosensitizer and K2S2O8 as a quencher. The Fe(IV)-oxo complexes are capable of oxidizing the C-H bonds of alkane (4-ethylbenzenesulfonate) and alcohol (benzyl alcohol) substrates via hydrogen atom transfer (HAT) and an olefin (4-styrenesulfonate) substrate by oxygen atom transfer (OAT). The [Fe(IV)(O)(PY5Me2-X)](2+) derivatives with electron-poor axial ligands show faster rates of HAT and OAT compared to their counterparts supported by electron-rich axial donors, but the magnitudes of these differences are relatively modest.

  6. NMR studies of the effects of axial ligand substitution by imidazole on the conformation of cytochrome c

    Institute of Scientific and Technical Information of China (English)

    邵伟平; 姚亦明; 唐文霞

    1995-01-01

    A series of 1D and 2D 1H NMR studies are presented, which aim at assigning the hyperfine shifted resonances of the heme and the spin systems of more than 20 amino acid side chains, and characterizing the heme and ligand environment of the low spin imidazole complex of cytochrome c. Some details of the structure in the heme pocket of the cytochrome c-imidazole complex are shownqualitatively to have changed relatively to the native oxidized protein. The orientation of the coordinated imidazole is also determined based on the interpretation of a number of NOEs.

  7. 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.

  8. Hydrophobicity, topography in membranes and photosensitization of silicon phthalocyanines with axial ligands of varying lengths.

    Science.gov (United States)

    Sholto, Alan; Ehrenberg, Benjamin

    2008-03-01

    Six amphiphilic silicon phthalocyanines (SiPc's) axially linked to a dimethylated amino alkyl group of varying length have been examined for their potential suitability as photosensitizers for photodynamic therapy (PDT). This group of molecules was chosen because the length of the axial ligand might place the chromophoric part of the molecule at different vertical depths in the membrane and possibly affect the extent of membrane localized damage caused by singlet oxygen. We tested the relative penetration depth of the SiPc groups in the membrane by the extent to which their fluorescence was quenched by external iodide ions. We also measured singlet oxygen quantum yields of the SiPc's in a liposome membrane, using the fluorescent target for singlet oxygen, 9,10-dimethylanthracene. The hydrophobicity parameters, LogP, were calculated and were also measured. Some correlation was found between them and Kb's, the binding constants for liposomes. The effect of the axial ligand's length is less striking than in similar cases with hematoporphyrins and protoporphyrins. We link this smaller effect with a bending of the linker chain that enables, sterically, a better positioning of the sensitizer molecules within the ordered lipid layer structure.

  9. Axial Ligand Coordination to the C-H Amination Catalyst Rh2(esp)2: A Structural and Spectroscopic Study.

    Science.gov (United States)

    Warzecha, Evan; Berto, Timothy C; Berry, John F

    2015-09-08

    The compound Rh2(esp)2 (esp = α,α,α',α'-tetramethyl-1,3-benzenediproponoate) is the most generally effective catalyst for nitrenoid amination of C-H bonds. However, much of its fundamental coordination chemistry is unknown. In this work, we study the effects of axial ligand coordination to the catalyst Rh2(esp)2. We report here crystal structures, cyclic voltammetry, UV-vis, IR, Raman, and (1)H NMR spectra for the complexes Rh2(esp)2L2 where L = pyridine, 3-picoline, 2,6-lutidine, acetonitrile, and methanol. The compounds all show well-defined π* → σ* electronic transitions in the 16500 to 20500 cm(-1) range, and Rh-Rh stretching vibrations in the range from 304 to 322 cm(-1). Taking these data into account we find that the strength of axial ligand binding to Rh2(esp)2 increases in the series CH3OH ∼ 2,6-lutidine < CH3CN < 3-methylpyridine ∼ pyridine. Quasi-reversible Rh2(4+/5+) redox waves are only obtained when either acetonitrile or no axial ligand is present. In the presence of pyridines, irreversible oxidation waves are observed, suggesting that these ligands destabilize the Rh2 complex under oxidative conditions.

  10. 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...

  11. 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

    To discover how molecular changes affect the electronic structure of dye molecules for solar cells, we have investigated four titanium phthalocyanines customized by axial and peripheral ligands (monodentate oxo versus bidentate catechol and tert-butyl versus tert-butylphenoxy, respectively). X-ra...

  12. Influence of Axial and Peripheral Ligands on the Electronic Structure of Titanium Phthalocyanines

    NARCIS (Netherlands)

    Pickup, David F.; Zegkinoglou, Ioannis; Ballesteros, Beatriz; Ganivet, Carolina R.; Garcia-Lastra, J. M.; Cook, Peter L.; Johnson, Phillip S.; Rogero, Celia; de Groot, Frank; Rubio, Angel; de la Torre, Gema; Enrique Ortega, J.; Himpsel, F. J.

    2013-01-01

    To discover how molecular changes affect the electronic structure of dye molecules for solar cells, we have investigated four titanium phthalocyanines customized by axial and peripheral ligands (monodentate oxo versus bidentate catechol and tert-butyl versus tert-butylphenoxy, respectively). X-ray a

  13. Building-up novel coordination polymer with Zn(II) porphyrin dimer: Synthesis, structures, surface morphology and effect of axial ligands

    Indian Academy of Sciences (India)

    Sk Asif Ikbal; Sanfaori Brahma; Avinash Dhamija; Sankar Prasad Rath

    2014-09-01

    Highly flexible Zn(II)1,2-bis(meso-octaethylporphyrin)ethane (1) has been used as host in which two porphyrin rings are found to be face-to-face in non-coordinating solvents. Upon addition of one relatively smaller 4,4′-dipyridine (L1) and one extended N,N′-bispyridine-4-yl-methylene ethylenediamine (L2) guest ligands, the syn conformation of 1 is switched to the anti complexes 1·(L1)2 and 1·L2, respectively. Single crystal X-ray structures of all the complexes are reported in which a stable one-dimensional coordination polymer is produced only in 1·L2 that is, to the best of our knowledge, the first structural report of 1D-coordination polymer with porphyrin dimer. Solution structures of the complexes along with binding studies in solution between 1 and L have also been investigated. The morphology of the polymeric complex 1·L2 on silicon wafer surface was examined by Atomic Force Microscopy (AFM) in which the crystalline islands of well defined facets of size ranging from 200-550 nm perimeter and a height of 20-40 nm have been observed.

  14. Monophthalocyanine complexes of samarium and terbium with axial ligands:synthesis, structure and optoelectronic properties

    Institute of Scientific and Technical Information of China (English)

    Alexander A Maleev; Mikhail N Bochkarev; Anatoly P Pushkarev; Vasily A Ilichev; Mikhail A Lopatin; Maxim A Samsonov; Georgy K Fukin; Georgy L Pakhomov; Vladislav V Travkin; Ivan D Grishin

    2014-01-01

    The monophthalocyanine complexes of samarium and terbium containing axial 2-mercaptobenzothiazole (PcSm(MBT) (1)), 2-(2-benzoxazol-2-yl) phenolate (PcTb(OON) (2)) or 2-(2-benzothiazol-2-yl)phenolate (PcTb(SON) (3)) ligands were synthe-sized and identified by elemental, LDI-TOF and X-ray (for 1) analysis. Photoluminescence (PL) and electroluminescence (EL) spec-tra of the compounds contained only emission bands of phthalocyanine and axial ligands but did not contain the bands of f-f transi-tions. It was found that among the complexes 1, 2, 3 the latter had highest photoconductivity (~10–7 S/cm) and photovoltaic properties. An organic photovoltaic device (OPV) of configuration of ITO/3/C60/Alq3/Al revealed open-circuit voltage (VOC) of 0.24 V and short current density (ISC) of 0.3μA/cm2 under illumination by a xenon lamp at 17 mW/cm2.

  15. Pulsed EPR/ENDOR characterization of perturbations of the Cu(A) center ground state by axial methionine ligand mutations.

    Science.gov (United States)

    Slutter, C E; Gromov, I; Epel, B; Pecht, I; Richards, J H; Goldfarb, D

    2001-06-01

    The effect of axial ligand mutation on the Cu(A) site in the recombinant water soluble fragment of subunit II of Thermus thermophilus cytochrome c oxidase ba(3) has been investigated. The weak methionine ligand was replaced by glutamate and glutamine which are stronger ligands. Two constructs, M160T0 and M160T9, that differ in the length of the peptide were prepared. M160T0 is the original soluble fragment construct of cytochrome ba(3) that encodes 135 amino acids of subunit II, omitting the transmembrane helix that anchors the domain in the membrane. In M160T9 nine C-terminal amino acids are missing, including one histidine. The latter has been used to reduce the amount of a secondary T2 copper which is most probably coordinated to a surface histidine in M160T0. The changes in the spin density in the Cu(A) site, as manifested by the hyperfine couplings of the weakly and strongly coupled nitrogens, and of the cysteine beta-protons, were followed using a combination of advanced EPR techniques. X-band ( approximately 9 GHz) electron-spin-echo envelope modulation (ESEEM) and two-dimensional (2D) hyperfine sublevel correlation (HYSCORE) spectroscopy were employed to measure the weakly coupled (14)N nuclei, and X- and W-band (95 GHz) pulsed electron-nuclear double resonance (ENDOR) spectroscopy for probing the strongly coupled (14)N nuclei and the beta-protons. The high field measurements were extremely useful as they allowed us to resolve the T2 and Cu(A) signals in the g( perpendicular) region and gave (1)H ENDOR spectra free of overlapping (14)N signals. The effects of the M160Q and M160E mutations were: (i) increase in A( parallel)((63,65)Cu), (ii) larger hyperfine coupling of the weakly coupled backbone nitrogen of C153, (iii) reduction in the isotropic hyperfine interaction, a(iso), of some of the beta-protons making them more similar, (iv) the a(iso) value of one of the remote nitrogens of the histidine residues is decreased, thus distinguishing the two

  16. Equilibria and kinetics for pH-dependent axial ligation of bromomethyl(aquo)cobaloxime by aliphatic amine ligands

    Indian Academy of Sciences (India)

    M Bhoopal; N Ravi Kumar Reddy; S Satyanarayana

    2003-04-01

    Kinetics and equilibria of axial ligation of bromomethyl(aquo) cobaloxime by a series of straight chain primary amines (methylamine, ethylamine, propylamine, butylamine, pentylamine, hexylamine), cycloamines (cyclopentylamine, cyclohexylamine, cycloheptylamine) and secondary amines (N,N-dimethylamine, N,N-diethylamine) have been measured as functions of pH by spectrophotometric technique in aqueous solution, ionic strength 1 M (KCl) at 25°C. The rate of substitution of H2O varies with the Ka of incoming ligand, thus establishing nucleophilic participation of the ligand in the transition state. Binding and kinetic data are interpreted based on the basicity and steric influence of the entering ligand. To compare the rate constants of the entering ligands, pH independent second-order rate constants (on) are calculated.

  17. 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.

  18. Effects of Axial Non-uniform Tip Clearances on Aerodynamic Performance of a Transonic Axial Compressor

    Institute of Scientific and Technical Information of China (English)

    Hongwei MA; Baihe LI

    2008-01-01

    This paper presents a numerical investigation of effects of axial non-uniform tip clearances on the aerodynamic performance of a transonic axial compressor rotor (NASA Rotor 37). The three-dimensional steady flow field within the rotor passage was simulated with the datum tip clearance of 0.356 mm at the design wheel speed of 17188.7 rpm. The simulation results are well consistent with the measurement results, which verified the numeri-cal method. Then the three-dimensional steady flow field within the rotor passage was simulated respectively with different axial non-uniform tip clearances. The calculation results showed that optimal axial non-uniform tip clearances could improve the compressor performance, while the efficiency and the pressure ratio of the com-pressor were increased. The flow mechanism is that the axial non-uniform tip clearance can weaken the tip leak-age vortex, blow down low-energy fluids in boundary layers and reduce both flow blockage and tip loss.

  19. 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.

  20. Synthesis, Spectroscopic, and Biological Studies on New Zirconium(IV Porphyrins with Axial Ligand

    Directory of Open Access Journals (Sweden)

    Gauri D. Bajju

    2013-01-01

    Full Text Available A series of parasubstituted tetraphenylporphyrin zirconium(IV salicylate complexes (SA/5-SSAZr(IVRTPP, R = p-H, p-CH3, p-NO2, p-Cl, SA = salicylate, and 5-SSA = 5-sulfosalicylate have been synthesized, and the spectral properties of free base porphyrins, their corresponding metallated, and axially ligated zirconium(IV porphyrin compounds were compared with each other. A detailed analysis of ultraviolet-visible (UV-vis, proton nulcear magnetic resonance (1H NMR spectroscopy, infrared (IR spectroscopy, and elemental analysis suggested the transformation from free base porphyrins to zirconium(IV porphyrins. The ability of the metal in this complex for extra coordination of solvent molecules was confirmed by ESI-MS spectra. Besides the fluorescence, cyclic voltammetry, and thermogravimetric studies, the complexes were also screened for antimicrobial and anticancer activities. Among all the complexes, 5-SSAZr(p-NO2TPP shows high antibacterial activity.

  1. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kuehn, F.E.; Wachter, W. [Technische Univ. Muenchen (Germany). Anorganisch-Chemisches Inst.; Goncalves, I.S. [Nova de Lisboa Univ. (Portugal). Inst. de Tecnologia Quimica e Biologica]|[Aveiro Univ. (Portugal). Dept. de Quimica; Lopes, A.D.; Lopes, J.P.; Romao, C.C. [Nova de Lisboa Univ. (Portugal). Inst. de Tecnologia Quimica e Biologica; Mink, J. [Hungarian Academy of Sciences (Hungary). Inst. of Isotope and Surface Chemistry]|[Veszprem Univ. (Hungary). Dept. of Analytical Chemistry; Hajba, L. [Veszprem Univ. (Hungary). Dept. of Analytical Chemistry; Parola, A.J.; Pina, F.; Sotomayor, J. [Nova de Lisboa Univ. (Portugal). Faculdade de Ciencias e Tecnologia

    1999-02-15

    Reaction of Re{sub 2}{l_brace}{mu}-O{sub 2}CC(CH{sub 3}){sub 3}{r_brace}{sub 4}Cl{sub 2} with [(CO){sub 5}M-CN]Na (M=Cr, Mo, W) leads to tetranuclear complexes of formula Re{sub 2}{l_brace}{mu}-O{sub 2}CC(CH{sub 3}){sub 3}{r_brace}{sub 4}[-NC-M(CO){sub 5}]{sub 2} (M=Cr, Mo, W). These complexes were characterized by {sup 1}H-, {sup 13}C-, and {sup 95}Mo-NMR, IR and Raman spectroscopy, elemental analysis and examined by cyclic voltammetry. The applied methods show the donor capabilities of the [(CO){sub 5}M-CN]{sup -} ligands which shift electron density towards the Re centers weakening the Re-Re quadruple bond. The Re-Re bond lengths and the {nu}(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.)

  3. Effect of axial mixing on RDC and PSE columns performance

    CERN Document Server

    Bastani, D

    2001-01-01

    Using the experimental data obtained from two RDC columns at two different sizes (7.62 and 21.9 cm) and one PSE column with 21.5 cm size, the effect of axial mixing on the performance of these columns was studied. Comparison between the experimental and theoretical (neglecting the axial mixing) number of transfer units indicates that, this effect in PSE columns is more than RDC columns (400% and 200% respectively). These results show that this effect can increase the height of the PSE column up to 4 times for a specific efficiency. Also the results show that this effect is more in law interfacial tension systems, which shows no need of application of agitation facilities when these systems are used.

  4. Coenzyme B12 model studies: Equilibrium constants for the H-dependent axial ligation of benzyl(aquo)cobaloxime by various N- and S-donor ligands

    Indian Academy of Sciences (India)

    D Sudarshan Reddy; N Ravi Kumar Reddy; V Sridhar; S Satyanarayana

    2002-02-01

    Equilibria of the axial ligation of benzyl(aquo)cobaloximes by imidazole, 1-methyl imidazole, histidine, histamine, glycine, ethyl glycine ester, thiourea and urea have been spectrophotometrically measured in aqueous solutions of ionic strength 1.0 M (KCl) at 25°C as a function of H. The equilibrium constants are in the order CN- > 1-methyl imidazole > imidazole > histidine > histamine > glycine > ethyl glycine ester > thiourea > urea. The order of stability of benzyl(ligand)cobaloxime is explained based on the basicity of the ligand, Co(III) → - back bonding and soft-soft and soft-hard interaction. Imidazole, substituted imidazoles, histidine and histamine form more stable complexes than glycine, ethyl glycine ester in contrast to the basicity of the ligands. Benzyl(ligand)cobaloximes were isolated and characterized by elemental analysis, IR and 1H NMR spectra.

  5. Excited state intramolecular proton transfer (ESIPT) in six-coordinated zinc(ii)-quinoxaline complexes with ligand hydrogen bonds: their fluorescent properties sensitive to axial positions.

    Science.gov (United States)

    Sakai, Ken-Ichi; Takahashi, Sami; Kobayashi, Ataru; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Dosen, Masaaki; Kato, Masako; Nagashima, Umpei

    2010-02-28

    Zinc(ii)-quinoxaline complexes, [Zn(hqxc)(2)(py)(2)] and [Zn(hqxc)(2)(DMSO)(2)] (hqxc = 3-hydroxy-2-quinoxalinecarboxylate, py = pyridine, DMSO = dimethyl sulfoxide), were prepared and characterized by X-ray crystallography and fluorescence spectroscopy. In both complexes, the zinc ion is six-coordinated by two equatorial bidentate hqxc ligands with an intramolecular hydrogen bond and two axial monodentate ligands such as pyridine or DMSO. In spite of similar coordination geometries, there is a remarkable difference between their solid-state fluorescent properties. The pyridine complex is strongly fluorescent (fluorescence quantum yield Phi = 0.22), giving rise to a significantly Stokes-shifted spectrum. From its thin film photopumped by a nitrogen gas laser, amplified spontaneous emission was observed. These results suggest that the fluorescence occurs by way of excited-state intramolecular proton-transfer (ESIPT) in the hydrogen bond of hqxc. On the other hand, the DMSO complex shows fluorescent intensity (Phi = 0.08) lower than that of the pyridine complex, and shows normal emission in addition to ESIPT emission. From IR measurements for these complexes, it is concluded that axial ligands influence the hydrogen bond strength of the equatorial hqxc ligand via zinc and thus the ESIPT efficiency.

  6. The Effect of Axial Stress on YBCO Coils

    Energy Technology Data Exchange (ETDEWEB)

    Sampson, W.; Anerella, M.; Cozzolino, J.P.; Gupta, R.C.; Shiroyanagi, Y.; Evangelou, E.

    2011-03-28

    The large aspect ratio of typical YBCO conductors makes them ideal for constructing solenoids from pancake style coils. An advantage of this method is that each subunit can be tested before assembly into the finished magnet. The fact that conductors are available in relatively short lengths is another reason for using such a fabrication technique. The principal drawback is the large number of joints required to connect the coils together. When very high field solenoids such as those contemplated for the muon collider are built in this way the magnetic forces between pancakes can be very large. Extensive measurements have been made on the effect of stress on short lengths of conductor, but there is little or no data on the effect of intercoil loading. The experiment described in this paper was designed to test the ability of YBCO coils to withstand these forces. A spiral wound 'pancake' coil made from YBCO coated conductor has been stressed to a pressure of 100MPa in the axial direction at 77K. In this case axial refers to the coil so that the force is applied to the edge of the conductor. The effect on the critical current was small and completely reversible. Repeatedly cycling the pressure had no measureable permanent effect on the coil. The small current change observed exhibited a slight hysteretic behaviour during the loading cycle.

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

    Science.gov (United States)

    Savino, Salvatore; Denora, Nunzio; Iacobazzi, Rosa Maria; Porcelli, Letizia; Azzariti, Amalia; Natile, Giovanni; Margiotta, Nicola

    2016-01-01

    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(ethanedioato)Cl{2-(2-(4-(6,8-dichloro-3-(2-(dipropylamino)-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl)phenoxy)acetate)-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). PMID:27347942

  8. 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.

  9. 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)

  10. Axial ligand modulation of the electronic structures of binuclear copper sites: analysis of paramagnetic 1H NMR spectra of Met160Gln Cu(A).

    Science.gov (United States)

    Fernández, C O; Cricco, J A; Slutter, C E; Richards, J H; Gray, H B; Vila, A J

    2001-11-28

    Cu(A) is an electron-transfer copper center present in heme-copper oxidases and N2O reductases. The center is a binuclear unit, with two cysteine ligands bridging the metal ions and two terminal histidine residues. A Met residue and a peptide carbonyl group are located on opposite sides of the Cu2S2 plane; these weaker ligands are fully conserved in all known Cu(A) sites. The Met160Gln mutant of the soluble subunit II of Thermus thermophilus ba3 oxidase has been studied by NMR spectroscopy. In its oxidized form, the binuclear copper is a fully delocalized mixed-valence pair, as are all natural Cu(A) centers. The faster nuclear relaxation in this mutant suggests that a low-lying excited state has shifted to higher energies compared to that of the wild-type protein. The introduction of the Gln residue alters the coordination mode of His114 but does not affect His157, thereby confirming the proposal that the axial ligand-to-copper distances influence the copper-His interactions (Robinson, H.; Ang, M. C.; Gao, Y. G.; Hay, M. T.; Lu, Y.; Wang, A. H. Biochemistry 1999, 38, 5677). Changes in the hyperfine coupling constants of the Cys beta-CH2 groups are attributed to minor geometrical changes that affect the Cu-S-C(beta)-H(beta) dihedral angles. These changes, in addition, shift the thermally accessible excited states, thus influencing the spectral position of the Cys beta-CH2 resonances. The Cu-Cys bonds are not substantially altered by the Cu-Gln160 interaction, in contrast to the situation found in the evolutionarily related blue copper proteins. It is possible that regulatory subunits in the mitochondrial oxidases fix the relative positions of thermally accessible Cu(A) excited states by tuning axial ligand interactions.

  11. Effect of weld reinforcement on axial plastic buckling of welded steel cylindrical shells

    Institute of Scientific and Technical Information of China (English)

    Chu-lin YU; Zhi-ping CHEN; Ji WANG; Shun-juan YAN; Li-cai YANG

    2012-01-01

    The effect of weld reinforcement on axial plastic buckling of welded steel cylindrical shells is investigated through experimental and numerical buckling analysis using six welded steel cylindrical shell specimens.The relationship between the amplitude of weld reinforcement and the axial plastic buckling critical load is explored.The effect of the material yield strength and the number of circumferential welds on the axial plastic buckling is studied.Results show that circumferential weld reinforcement represents a severe imperfect form of axially compressed welded steel cylindrical shells and the axial plastic buckling critical load decreases with the increment of the mean amplitude of circumferential weld reinforcement.The material yield strength and the number of circumferential welds are found to have no significant effect on buckling waveforms; however,the axial plastic buckling critical load can be decreased to some extent with the increase of the number of circumferential welds.

  12. Fibromyalgia in patients with axial spondyloarthritis: epidemiological profile and effect on measures of disease activity.

    Science.gov (United States)

    Salaffi, Fausto; De Angelis, Rossella; Carotti, Marina; Gutierrez, Marwin; Sarzi-Puttini, Piercarlo; Atzeni, Fabiola

    2014-08-01

    To determine the prevalence of fibromyalgia (FM) in patients with ankylosing spondylitis (AS) or psoriatic arthritis (PsA) characterized by axial involvement (axial-PsA), and to assess the discriminative ability of different versions of the Ankylosing Spondylitis Disease Activity Score (ASDAS) and the Bath Ankylosing Spondylitis Activity Disease Activity Index (BASDAI) in measuring disease activity in three different cohorts of patients with axial spondyloarthritis (axial-SpA), FM, or both (axial-SpA + FM), this study was divided into two phases: (1) 402 patients with definite AS or axial-PsA were examined to diagnose FM and estimate its prevalence; and (2) 419 patients (111 with axial-SpA, 248 with FM, and 60 with aSpA + FM) were evaluated using the different versions of the ASDAS and BASDAI to assess the effect on disease activity. The overall prevalence of FM in the axial-SpA population was 14.9 %, significantly higher among women (p axial-PsA was 17.2 %. Although the BASDAI scores correlated with those of ASDAS-C-reactive protein (CRP) and ASDAS-erythrocyte sedimentation rate (ESR) (p axial-SpA and more prevalent in female patients. Our findings suggest that ASDAS is better than BASDAI in distinguishing patients with disease activity from those with functional impairment. The use of ASDAS may be very useful in clinical practice as it allows treating patients with the most appropriate therapy.

  13. Setting an upper limit on the myoglobin iron(IV)hydroxide pK(a): insight into axial ligand tuning in heme protein catalysis.

    Science.gov (United States)

    Yosca, Timothy H; Behan, Rachel K; Krest, Courtney M; Onderko, Elizabeth L; Langston, Matthew C; Green, Michael T

    2014-06-25

    To provide insight into the iron(IV)hydroxide pK(a) of histidine ligated heme proteins, we have probed the active site of myoglobin compound II over the pH range of 3.9-9.5, using EXAFS, Mössbauer, and resonance Raman spectroscopies. We find no indication of ferryl protonation over this pH range, allowing us to set an upper limit of 2.7 on the iron(IV)hydroxide pK(a) in myoglobin. Together with the recent determination of an iron(IV)hydroxide pK(a) ∼ 12 in the thiolate-ligated heme enzyme cytochrome P450, this result provides insight into Nature's ability to tune catalytic function through its choice of axial ligand.

  14. Effectiveness of Adalimumab in Non-radiographic Axial Spondyloarthritis

    Science.gov (United States)

    Cantarini, Luca; Fabbroni, Marta; Talarico, Rosaria; Costa, Luisa; Caso, Francesco; Cuneo, Gian Luca; Frediani, Bruno; Faralli, Gabriele; Vitale, Antonio; Brizi, Maria Giuseppina; Sabadini, Luciano; Galeazzi, Mauro

    2015-01-01

    Abstract The primary aim of the study was to evaluate the long-term effectiveness of adalimumab (ADA) in a cohort of non-radiographic axial spondyloarthritis (nr-axSpA), and the secondary aims were to identify predictive factors of response and evaluate radiological progression. We evaluated 37 patients (male/female: 12/25; mean age 49 ± 14; mean disease duration: 6.3 ± 5.8) with active nr-axSpA (Assessment of SpondyloArthritis International Society criteria), despite the treatment with ≥1 nonsteroidal anti-inflammatory drug for at least 3 months, initiating the treatment with ADA 40 mg every other week. Patients were treated for 24 months, and evaluated at baseline, 6, 12, and 24 months. Outcome measures included Ankylosing Spondylitis Disease Activity Score, Bath Ankylosing Spondylitis Disease Activity Index (BASDAI), and Bath Ankylosing Spondylitis Functional Index. Radiograph of the spine and sacroiliac joints and magnetic resonance of the sacroiliac joints were performed at baseline and according to the standard of assessment for the disease. The proportion of patients that achieved a BASDAI50 response at 6, 12 and 24 months was 51.3%, 70.3%, and 76.8%, respectively. Treatment was well tolerated with no unexpected adverse events and/or serious adverse events. All patients remained on treatment for 2 years, with a good compliance. We did not identify any predictive factor of response to therapy. Moreover, modified Stoke Ankylosing Spondylitis Spine Score and Spondyloarthritis Research Consortium of Canada scores showed a trend of improvement during the study period. ADA was effective on clinical and radiological outcomes at 2-year follow-up; thus, early treatment with ADA may prevent radiographic damage and be associated with low disease activity or remission. Moreover, data from this cohort study have confirmed safety and tolerability profile of ADA in nr-axSpA in the long term. PMID:26222847

  15. Chemical bonding of chlorophylls and plant aminic axial ligands impact harvesting of visible light and quenching of fluorescence.

    Science.gov (United States)

    Ioannidis, Nikolaos E; Tsiavos, Theodoros; Kotzabasis, Kiriakos

    2012-01-01

    In the present work, we tested the mode of interaction of all three polyamines (putrescine, spermidine and spermine) with chlorophyll a and b, as well as pheophytin a and b. The results showed that all three polyamines bind to the Mg ion of chlorophyll ring as probed by Raman spectroscopy. The coordination of spermine with Chl b has the most interesting features from all pigments tested. Spermine induces reversible increases and decreases of the fluorescence yield of Chl b at about 661 nm. Interestingly, equilibrium between a high-fluorescence yield conformation and a low yield is feasible by the interaction of chlorophyll b and aminic ligands. Furthermore, absorption data for the diagnostic regions of 518 and 535 nm are provided for all combinations of pigments and ligands. The significance and consistence of these results with respect to photochemical and bioenergetic principles are discussed.

  16. An effective theory for QCD with an axial chemical potential

    CERN Document Server

    Andrianov, Alexander A; Espriu, Domenec; Planells, Xumeu

    2013-01-01

    We consider the low energy realization of QCD in terms of meson fields when an axial chemical potential is present; a situation that may be relevant in heavy ion collisions. We shall demonstrate that the presence of an axial charge constitutes an explicit source of parity breaking. The eigenstates of strong interactions do not have a definite parity and interactions that would otherwise be forbidden compete with the familiar ones. In this work, we first focus on scalars and pseudoscalars that are described by a generalized linear sigma model; and next, we give some hints on how the Vector Meson Dominance model describes the vector sector.

  17. 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...

  18. Fusion of ligand-coated nanoparticles with lipid bilayers: effect of ligand flexibility.

    Science.gov (United States)

    Van Lehn, Reid C; Alexander-Katz, Alfredo

    2014-08-07

    Amphiphilic, monolayer-protected gold nanoparticles (AuNPs) have recently been shown to insert into and fuse with lipid bilayers, driven by the hydrophobic effect. The inserted transmembrane state is stabilized by the "snorkeling" of charged ligand end groups out of the bilayer interior. This snorkeling process is facilitated by the backbone flexibility of the alkanethiol ligands that comprise the monolayer. In this work, we show that fusion is favorable even in the absence of backbone flexibility by modeling the ligands as rigid rods. For rigid ligands, snorkeling is still accommodated by rotations of the ligand with respect to the grafting point, but the process incurs a more significant free energy penalty than if the backbone were fully flexible. We show that the rigid rod model predicts similar trends in the free energy change for insertion as the previous flexible model when the size of the AuNPs is varied. However, the rigidity of the ligand backbone reduces the overall magnitude of the free energy change compared to that of the flexible model. These results thus generalize previous findings to systems with hindered backbone flexibility due to either structural constraints or low temperature.

  19. Effect of flow maldistribution and axial conduction on compact microchannel heat exchanger

    Science.gov (United States)

    Baek, Seungwhan; Lee, Cheonkyu; Jeong, Sangkwon

    2014-03-01

    When a compact microchannel heat exchanger is operated at cryogenic environments, it has potential problems of axial conduction and flow maldistribution. To analyze these detrimental effects, the heat exchanger model that includes both axial conduction and flow maldistribution effect is developed in consideration of the microchannel heat exchanger geometry. A dimensionless axial conduction parameter (λ) is used to describe the axial conduction effect, and the coefficient of variation (CoV) is introduced to quantify the flow maldistribution condition. The effectiveness of heat exchanger is calculated according to the various values of the axial conduction parameter and the CoV. The analysis results show that the heat exchanger effectiveness is insensitive when λ is less than 0.005, and effectiveness is degraded with the large value of CoV. Three microchannel heat exchangers are fabricated with printed circuit heat exchanger (PCHE) technology for validation purpose of the heat exchanger model. The first heat exchanger is a conventional heat exchanger, the second heat exchanger has the modified cross section to eliminate axial conduction effect, and the third heat exchanger has the modified cross section and the cross link in parallel channel to mitigate flow maldistribution effect. These heat exchangers are tested in cryogenic single-phase, and two-phase environments. The third heat exchanger shows the ideal thermal characteristic, while the other two heat exchangers experience some performance degradation due to axial conduction or flow maldistribution. The impact of axial conduction and flow maldistribution effects are verified by the simulation results and compared with the experimental results.

  20. Effect of Control Blade History, and Axial Coolant Density and Burnup Profiles on BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Marshall, William BJ J [ORNL

    2016-01-01

    A technical basis for peak reactivity boiling water reactor (BWR) burnup credit (BUC) methods was recently generated, and the technical basis for extended BWR BUC is now being developed. In this paper, a number of effects related to extended BWR BUC are analyzed, including three major operational effects in BWRs: the coolant density axial distribution, the use of control blades during operation, and the axial burnup profile. Specifically, uniform axial moderator density profiles are analyzed and compared to previous results and an additional temporal fidelity study combing moderator density profiles for three different fuel assemblies is presented. Realistic control blade histories and cask criticality results are compared to previously generated constructed control blade histories. Finally, a preliminary study of the axial burnup profile is provided.

  1. A Tethered Ru-S Complex with an Axial Chiral Thiolate Ligand for Cooperative Si-H Bond Activation: Application to Enantioselective Imine Reduction.

    Science.gov (United States)

    Wübbolt, Simon; Maji, Modhu Sudan; Irran, Elisabeth; Oestreich, Martin

    2017-02-13

    An axial chiral version of the 2,6-dimesitylphenyl group attached to sulfur is reported. Its multistep preparation starts from (S)-binol, and the thiol group is established by a racemization-free thermal Newman-Kwart rearrangement. The new chiral thiolate ligand decorated with one mesityl group is used in the synthesis of a tethered ruthenium chloride complex. Its spectroscopic characterization revealed solvent-dependent epimerization at the ruthenium center. The major diastereomer is crystallographically characterized. Chloride abstraction with tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (NaBArF4) yields the corresponding coordinatively unsaturated ruthenium complex with the Ru-S bond exposed. Si-H bond activation at this Ru-S bond proceeds in syn fashion but with moderate facial selectivity (d.r. = 70:30), generating diastereomeric chiral-at-ruthenium hydrosilane adducts. Their application to catalytic imine hydrosilylation led to promising enantioinduction (40% ee), thereby providing proof of concept for asymmetric catalysis involving cooperative Si-H bond activation.

  2. Effect of inlet box on performance of axial flow fans

    Institute of Scientific and Technical Information of China (English)

    Jingyin LI; Hua TIAN; Xiaofang YUAN

    2008-01-01

    Numerical investigations on 3D flow fields in an axial flow fan with and without an inlet box have been extensively conducted, focusing on the variation of fan performance caused by the internal flow fields and the velocity evenness at the exit of the inlet box. It is interest-ing to find that although the inlet box is well designed in accordance with basic design principles, there is a flow separation region in it. Furthermore, this flow separation and the resulting uneven velocity distribution at the exit lead to some decrease in the efficiency and an increase in the total pressure rise of the fan. This research shows that the inlet box needs further improvement and such a check on the flow fields is of value for the design of inlet boxes.

  3. The Effect of Ultrapolish on a Transonic Axial Rotor

    Science.gov (United States)

    Roberts, William B.; Thorp, Scott; Prahst, Patricia S.; Strazisar, Anthony

    2005-01-01

    Back-to-back testing has been done using NASA fan rotor 67 in the Glenn Research Center W8 Axial Compressor Test Facility. The rotor was baseline tested with a normal industrial RMS surface finish of 0.5-0.6 m (20-24 microinches) at 60, 80 and 100% of design speed. At design speed the tip relative Mach number was 1.38. The blades were then removed from the facility and ultrapolished to a surface finish of 0.125 m (5 microinch) or less and retested. At 100% speed near the design point, the ultrapolished blades showed approximately 0.3 - 0.5% increase in adiabatic efficiency. The difference was greater near maximum flow. Due to increased relative measurement error at 60 and 80% speed, the performance difference between the normal and ultrapolished blades was indeterminate at these speeds.

  4. Precise investigation of the axial ligand substitution mechanism on a hydrogenphosphato-bridged lantern-type platinum(III) binuclear complex in acidic aqueous solution.

    Science.gov (United States)

    Iwatsuki, Satoshi; Mizushima, Chiho; Morimoto, Naoyuki; Muranaka, Shinji; Ishihara, Koji; Matsumoto, Kazuko

    2005-10-31

    Detailed equilibrium and kinetic studies on axial water ligand substitution reactions of the "lantern-type" platinum(III) binuclear complex, [Pt(2)(mu-HPO(4))(4)(H(2)O)(2)](2)(-), with halide and pseudo-halide ions (X(-) = Cl(-), Br(-), and SCN(-)) were carried out in acidic aqueous solution at 25 degrees C with I = 1.0 M. The diaqua Pt(III) dimer complex is in acid dissociation equilibrium in aqueous solution with -log K(h1) = 2.69 +/- 0.04. The consecutive formation constants of the aquahalo complex () and the dihalo complex () were determined spectrophotometrically to be log = 2.36 +/- 0.01 and log = 1.47 +/- 0.01 for the reaction with Cl(-) and log = 2.90 +/- 0.04 and log = 2.28 +/- 0.01 for the reaction with Br(-), respectively. In the kinetic measurements carried out under the pseudo-first-order conditions with a large excess concentration of halide ion compared to that of Pt(III) dimer (C(X)()- > C(Pt)), all of the reactions proceeded via a one-step first-order reaction, which is a contrast to the consecutive two-step reaction for the amidato-bridged platinum(III) binuclear complexes. The conditional first-order rate constant (k(obs)) depended on C(X)()- as well as the acidity of the solution. From kinetic analyses, the rate-limiting step was determined to be the first substitution process that forms the monohalo species, which is in rapid equilibrium with the dihalo complex. The reaction with 4-penten-1-ol was also kinetically investigated to examine the reactivity of the lantern complex with olefin compounds.

  5. Axial dispersion in segmented gas-liquid flow: Effects of alternating channel curvature

    Science.gov (United States)

    Muradoglu, Metin

    2010-12-01

    The effects of channel curvature on the axial dispersion in segmented gas-liquid flows are studied computationally in a two-dimensional setting using a finite-volume/front-tracking method. Passive tracer particles are used to visualize and quantify the axial dispersion. The molecular diffusion is modeled by random walk of tracer particles. It is found that there is significant axial dispersion in serpentine channels even in the absence of molecular diffusion. The lubricating thin liquid layer that persists on the wall of a straight channel is periodically broken in the serpentine channel leading to enhanced axial dispersion. It is also found that the axial dispersion is always larger in the serpentine channel than that in the straight channel but the effects of channel curvature are more pronounced at high Peclet numbers, i.e., Pe>104. A model is proposed based on the difference between the liquid film thicknesses on the inner and outer side of the bend in the limit as Pe→∞. Good agreement is found between the computational results and the model when the liquid slug is well mixed by the chaotic advection.

  6. Effect of Solid Properties on Axial Liquid Dispersion in Bubble Column

    Directory of Open Access Journals (Sweden)

    Ali Raad Mohammed Jawad

    2012-01-01

    Full Text Available Experiments were conducted to study axial liquid dispersion coefficient in slurry bubble column of 0.15 m inside diameter and 1.6 m height using perforated plate gas distributor of 54 holes of a size equal to 1 mm diameter and with a 0.24 free area of holes to the cross sectional area of the column. The three phase system consists of air, water and PVC used as the solid phase. The effect of solid loading (0, 30 and 60 kg/m3 and solid diameter (0.7, 1.5 and 3 mm on the axial liquid dispersion coefficient at different axial location (25, 50 and 75 cm and superficial gas velocity covered homogeneous-heterogeneous flow regime (1-10 cm/s were studied in the present work. The results show that the axial liquid dispersion coefficient increases with increasing superficial gas velocity, axial distance, solid concentration and an inverse relationship with particles diameter

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

    CERN Document Server

    Copetti, Christian; Landsteiner, Karl

    2016-01-01

    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.

  8. Atropoisomerismo: o efeito da quiralidade axial em substâncias bioativas Atropisomerism: the effect of the axial chirality in bioactive compounds

    Directory of Open Access Journals (Sweden)

    Anderson Rouge dos Santos

    2007-02-01

    Full Text Available 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-functionalyzed biphenyl derivatives, but a lot of other organic functionalities can present this structural phenomenon, characterized by the presence of chiral properties in compounds that don't 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.

  9. Ligand and ensemble effects in adsorption on alloy surfaces

    DEFF Research Database (Denmark)

    Liu, Ping; Nørskov, Jens Kehlet

    2001-01-01

    Density functional theory is used to study the adsorption of carbon monoxide, oxygen and nitrogen on various Au/Pd(111) bimetallic alloy surfaces. By varying the Au content in the surface we are able to make a clear separation into geometrical (or ensemble) effects and electronic (or ligand...

  10. Axial buckling and transverse vibration of ultrathin nanowires: low symmetry and surface elastic effect

    Science.gov (United States)

    Lei, Xiao; Narsu, B.; Yun, Guohong; Li, Jiangang; Yao, Haiyan

    2016-05-01

    Surface effects play a deterministic role in the physical and mechanical properties of nanosized materials and structures. In this paper, we present a self-consistent theoretical scheme for describing the elasticity of nanowires. The natural frequency and the critical compression force of axial buckling are obtained analytically, taking into consideration the influences of lower symmetry, additional elastic parameters, surface reconstruction, surface elasticity, and residual surface stress. Applications of the present theory to elastic systems for the    axially oriented Si and Cu nanowires and Ag    axially oriented nanowires yield good agreement with experimental data and calculated results. The larger positive value of the new elastic parameter c12α taken into account for Si    oriented nanowires drives the curves of natural frequency and critical compression force versus thickness towards the results obtained from density functional theory simulation. Negative surface stress decreases the critical load for axial buckling, thus making the nanowires very easy to bend into various structures. The present study is envisaged to provide useful insights for the design and application of nanowire-based devices.

  11. Evaluation of electromagnetic shielding effectiveness of multi-axial fabrics and their reinforced PES composites

    Indian Academy of Sciences (India)

    RAMAZAN ERDEM

    2016-08-01

    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 electromagnetic shielding applications. The electromagnetic shielding effectiveness (EMSE) of these structures was determined by using coaxial transmission line measurement technique. There were eight different multi-axial fabrics constructed. It was observed that the amount and the orientation of carbon and stainless steel yarns influenced the EMSE performances of multi-axial fabrics and their reinforced PES composites. The structures containing both carbon filaments and stainless steel yarns exhibited better EMSE than the ones including only one type of conductive yarns or filaments. Also, the EMSE performance of multi-axial fabrics was found better than their reinforced composites. The best EMSE results were obtained for the fabric, including two layers of yarns (steel and carbon) on top of each otherin the centre with the angle of 45 and $−$45$^{\\circ}$.

  12. Axial Dispersion in Segmented Gas-Liquid Flow: Effects of the Channel Curvature

    Science.gov (United States)

    Muradoglu, Metin

    2009-11-01

    The effects of channel curvature on the axial dispersion in segmented gas-liquid flows have been studied computationally in a two-dimensional setting using a front-tracking/finite-volume method. Passive tracer particles are used to visualize and quantify the axial dispersion. The molecular diffusion is modeled by random walk of tracer particles. It is found that there is significant axial dispersion in serpentine channels even in the absence of molecular diffusion and dispersion increases with channel curvature. It is known that there is no dispersion in straight channels since a lubricating thin liquid layer persists on the wall. However this lubricating liquid layer is periodically broken in the curved channel case leading to enhanced axial dispersion. It is found that the dispersion increases as the Peclet number (Pe) decreases both in straight and curved channels. Difference between the straight and curved channel decreases continuously as the Peclet number decreases and virtually disappears at low Peclet numbers, i.e., Pestudy. A model is proposed based on the difference between the liquid film thicknesses on the inner and outer side of the bend in the limit as Pe->∞. Good agreement is found between the computational results and the model when the liquid slug is well mixed by the chaotic advection.

  13. Development of highly effective cryogenic printed circuit heat exchanger (PCHE) with low axial conduction

    Science.gov (United States)

    Baek, Seungwhan; Kim, Jin-Hyuck; Jeong, Sangkwon; Jung, Jeheon

    2012-07-01

    This paper presents the results of an experimental investigation of the thermal and hydraulic performance of a printed circuit heat exchanger (PCHE) for use in the cryogenic temperature region. Compact PCHEs with multiple corrugated, longitudinal flow microchannels were fabricated using chemical etching and diffusion bonding to evaluate their thermal and hydraulic performance. The testing of the PCHEs was conducted with helium gas at cryogenic temperatures. The pressure drop and thermal effectiveness values obtained from the measured pressures and temperatures are discussed. The thermal performance was predominantly affected by the axial conduction heat transfer in the low Reynolds number ranges of theses experiments. A simple performance calculation model is presented, and the effectiveness calculated from the model is compared with the experimental data. The design of the cryogenic PCHE was then modified to reduce axial conduction losses.

  14. Axial-torsional fatigue: A study of tubular specimen thickness effects

    Science.gov (United States)

    Bonacuse, Peter J.; Kalluri, Sreeramesh

    1990-01-01

    A room-temperature experimental program was conducted on AISI type 316 stainless steel to determine the effect of wall thickness on the cyclic deformation behavior and fatigue life of thin-wall, tubular, axial-torsional fatigue specimens. The following experimental variables were examined in this study: the depth of the surface work-hardened layer produced in specimen machining, and the effects of strain range and axial-torsional strain phasing. Tubular fatigue specimens were fabricated with wall thicknesses of 1.5, 2.0, and 2.5 mm. One as-fabricated specimen from each wall thickness was sectioned for microstructural examination and microhardness measurement. A specimen of each wall thickness was tested at each of three conditions - high strain range in-phase, low strain range in-phase, and low strain range out-of-phase - for a total of nine axial-torsional fatigue experiments. The machining-induced work-hardened zone, as a percentage of the gage section material, was found to have a minimal effect on both deformation behavior and fatigue life. Also, little or no variation in fatigue life or deformation behavior as a function of wall thickness was observed. Out-of-phase fatigue tests displayed shorter fatigue lives and more cyclic hardening than in-phase tests.

  15. Axial-torsional fatigue - A study of tubular specimen thickness effects

    Science.gov (United States)

    Bonacuse, Peter J.; Kalluri, Sreeramesh

    1993-01-01

    Experiments were carried out at room temperature on AISI type 316 stainless steel to determine the effect of wall thickness on the cyclic deformation behavior and fatigue life of thin-wall tubular axial-torsional fatigue specimens. The experimental variables examined included the depth of the surface work-hardened layer produced in specimen machining, and the effects of strain range and axial-torsional strain phasing. Tubular fatigue specimens had wall thicknesses of 1.5, 2.0, and 2.5 mm. One as-fabricated specimen from each wall thickness was sectioned for microstructural examination and microhardness measurement. A specimen of each wall thickness was tested in axial-torsional fatigue experiments for each of the three conditions: high strain range in-phase, low strain range in-phase, and low strain range out-of-phase. The machining-induced work-hardened zone, as a percentage of the gage section material, was found to have a minimal effect on both deformation behavior and fatigue life. Out-of-phase fatigue tests displayed shorter fatigue lives and more cyclic hardening than in-phase tests.

  16. The effect of cross-link distributions in axially-ordered, cross-linked networks

    Science.gov (United States)

    Bennett, C. Brad; Kruczek, James; Rabson, D. A.; Matthews, W. Garrett; Pandit, Sagar A.

    2013-07-01

    Cross-linking between the constituent chains of biopolymers has a marked effect on their materials’ properties. In certain of these materials, such as fibrillar collagen, increases in cross-linking lead to an increase in the melting temperature. Fibrillar collagen is an axially-ordered network of cross-linked polymer chains exhibiting a broadened denaturation transition, which has been explained in terms of the successive denaturation with temperature of multiple species. We model axially-ordered, cross-linked materials as stiff chains with distinct arrangements of cross-link-forming sites. Simulations suggest that systems composed of chains with identical arrangements of cross-link-forming sites exhibit critical behavior. In contrast, systems composed of non-identical chains undergo a crossover. This model suggests that the arrangement of cross-link-forming sites may contribute to the broadening of the denaturation transition in fibrillar collagen.

  17. Marangoni effects on a thin liquid film coating a sphere with axial or radial thermal gradients

    Science.gov (United States)

    Kang, Di; Nadim, Ali; Chugunova, Marina

    2016-11-01

    We study the time evolution of a thin liquid film coating the outer surface of a sphere in the presence of gravity, surface tension and thermal gradients. We derive the fourth-order nonlinear partial differential equation that models the thin film dynamics, including Marangoni terms arising from the dependence of surface tension on temperature. We consider two different heating regimes with axial or radial thermal gradients. We analyze the stability of a uniform coating under small perturbations and carry out numerical simulations in COMSOL for a range of parameter values. In the case of an axial temperature gradient, we find steady states with either uniform film thickness, or with drops forming at the top or bottom of the sphere, depending on the total volume of liquid in the film, dictating whether gravity or Marangoni effects dominate. In the case of a radial temperature gradient, a stability analysis reveals the most unstable non-axisymmetric modes on an initially uniform coating film.

  18. Unconventional spin Hall effect and axial current generation in a Dirac semimetal

    Science.gov (United States)

    Okuma, Nobuyuki; Ogata, Masao

    2016-04-01

    We investigate electrical transport in a three-dimensional massless Dirac fermion model that describes a Dirac semimetal state realized in topological materials. We derive a set of interdependent diffusion equations with eight local degrees of freedom, including the electric charge density and the spin density, that respond to an external electric field. By solving the diffusion equations for a system with a boundary, we demonstrate that a spin Hall effect with spin accumulation occurs even though the conventional spin current operator is zero. The Noether current associated with chiral symmetry, known as the axial current, is also discussed. We demonstrate that the axial current flows near the boundary and that it is perpendicular to the electric current.

  19. On the effect of excited states in lattice calculations of the nucleon axial charge

    CERN Document Server

    Hansen, Maxwell T

    2016-01-01

    Excited-state contamination is one of the dominant uncertainties in lattice calculations of the nucleon axial-charge, $g_A$. Recently published results in leading-order chiral perturbation theory (ChPT) predict the excited-state contamination to be independent of the nucleon interpolator and positive. However, empirical results from numerical lattice calculations show negative contamination (downward curvature), indicating that present-day calculations are not in the regime where the leading-order ChPT predictions apply. In this paper we show that, under plausible assumptions, one can reproduce the behavior of lattice correlators by taking into account final-state $N \\pi$ interactions, in particular the effect of the Roper resonance, and by postulating a sign change in the infinite-volume $N \\to N \\pi$ axial-vector transition amplitude.

  20. Understanding ligand effects in gold clusters using mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Grant E.; Laskin, Julia

    2016-01-01

    This review summarizes recent research on the influence of phosphine ligands on the size, stability, and reactivity of gold clusters synthesized in solution. Sub-nanometer clusters exhibit size- and composition-dependent properties that are unique from those of larger nanoparticles. The highly tunable properties of clusters and their high surface-to-volume ratio make them promising candidates for a variety of technological applications. However, because “each-atom-counts” toward defining cluster properties it is critically important to develop robust synthesis methods to efficiently prepare clusters of predetermined size. For decades phosphines have been known to direct the size-selected synthesis of gold clusters. Despite the preparation of numerous species it is still not understood how different functional groups at phosphine centers affect the size and properties of gold clusters. Using electrospray ionization mass spectrometry (ESI-MS) it is possible to characterize the effect of ligand substitution on the distribution of clusters formed in solution at defined reaction conditions. In addition, ligand exchange reactions on preformed clusters may be monitored using ESI-MS. Collision induced dissociation (CID) may also be employed to obtain qualitative insight into the fragmentation of mixed ligand clusters and the relative binding energies of differently substituted phosphines. Quantitative ligand binding energies and cluster stability may be determined employing surface induced dissociation (SID) in a custom-built Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS). Rice-Ramsperger-Kassel-Marcus (RRKM) based modeling of the SID data allows dissociation energies and entropy values to be extracted that may be compared with the results of high-level theoretical calculations. The charge reduction and reactivity of atomically precise gold clusters, including partially ligated species generated in the gas-phase by in source CID, on well

  1. Understanding ligand effects in gold clusters using mass spectrometry.

    Science.gov (United States)

    Johnson, Grant E; Laskin, Julia

    2016-06-21

    This review summarizes recent research on the influence of phosphine ligands on the size, stability, and reactivity of gold clusters synthesized in solution. Sub-nanometer clusters exhibit size- and composition-dependent properties that are unique from those of larger nanoparticles. The highly tunable properties of clusters and their high surface-to-volume ratio make them promising candidates for a variety of technological applications. However, because "each-atom-counts" toward defining cluster properties it is critically important to develop robust synthesis methods to efficiently prepare clusters of predetermined size. For decades phosphines have been known to direct the size-selected synthesis of gold clusters. Despite the preparation of numerous species it is still not understood how different functional groups at phosphine centers affect the size and properties of gold clusters. Using electrospray ionization mass spectrometry (ESI-MS) it is possible to characterize the effect of ligand substitution on the distribution of clusters formed in solution at defined reaction conditions. In addition, ligand exchange reactions on preformed clusters may be monitored using ESI-MS. Collision induced dissociation (CID) may also be employed to obtain qualitative insight into the fragmentation of mixed ligand clusters and the relative binding energies of differently substituted phosphines. Quantitative ligand binding energies and cluster stability may be determined employing surface induced dissociation (SID) in a custom-built Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR-MS). Rice-Ramsperger-Kassel-Marcus (RRKM) based modeling of the SID data allows dissociation energies and entropy values to be extracted. The charge reduction and reactivity of atomically precise gold clusters, including partially ligated species generated in the gas-phase by in source CID, on well-defined surfaces may be explored using ion soft landing (SL) in a custom

  2. Equilibria and kinetics for H-dependent axial ligation of alkyl(aquo) cobaloximes with aromatic and aliphatic N-donor ligands

    Indian Academy of Sciences (India)

    V Sridhar; D Sudarshan Reddy; N Ravikumar Reddy; S Satyanarayana

    2002-02-01

    Equilibria and kinetics of the reaction of bromomethyl(aquo) cobaloxime with histamine, histidine, glycine and ethyl glycine ester and iodomethyl(aquo) cobaloxime with cyanide, imidazole and substituted imidazoles were studied as a function of H at 25°C, 1.0 M ionic strength (KCl) by spectrophotometry technique. The rate of substitution of H2O varies with the of the incoming ligand, thus establishing the existence of nucleophilic participation of the ligand in the transition state. Dissociation kinetic reactions were also studied as a function of H. Binding and kinetic data were interpreted based on the basicity, steric crowd of the entering ligand and HSAB principle. To compare the rate constants of the entering ligands H independent second-order rate constants were calculated.

  3. Low-temperature UV-visible and NMR spectroscopic investigations of O(2) binding to ((6)L)Fe(II), a ferrous heme bearing covalently tethered axial pyridine ligands.

    Science.gov (United States)

    Ghiladi, Reza A; Karlin, Kenneth D

    2002-05-06

    In this report, we describe the reversible dioxygen reactivity of ((6)L)Fe(II) (1) [(6)L = partially fluorinated tetraphenylporphyrin with covalently appended TMPA moiety; TMPA = tris(2-pyridylmethyl)amine] using a combination of low-temperature UV-vis and multinuclear ((1)H and (2)H) NMR spectroscopies. Complex 1, or its pyrrole-deuterated analogue ((6)L-d(8))Fe(II) (1-d(8)), exhibits downfield shifted pyrrole resonances (delta 28-60 ppm) in all solvents utilized [CH(2)Cl(2), (CH(3))(2)C(O), CH(3)CN, THF], indicative of a five-coordinate high-spin ferrous heme, even when there is no exogenous axial solvent ligand present (i.e., in methylene chloride). Furthermore, ((6)L)Fe(II) (1) exhibits non-pyrrolic upfield and downfield shifted peaks in CH(2)Cl(2), (CH(3))(2)C(O), and CH(3)CN solvents, which we ascribed to resonances arising from the intra- or intermolecular binding of a TMPA-pyridyl arm to the ferrous heme. Upon exposure to dioxygen at 193 K in methylene chloride, ((6)L)Fe(II) (1) [UV-vis: lambda(max) = 433 (Soret), 529 (sh), 559 nm] reversibly forms a dioxygen adduct [UV-vis: lambda(max) = 422 (Soret), 542 nm], formulated as the six-coordinate low-spin [delta(pyrrole) 9.3 ppm, 193 K] heme-superoxo complex ((6)L)Fe(III)-(O(2)(-)) (2). The coordination of the tethered pyridyl arm to the heme-superoxo complex as axial base ligand is suggested. In coordinating solvents such as THF, reversible oxygenation (193 K) of ((6)L)Fe(II) (1) [UV-vis: lambda(max) = 424 (Soret), 542 nm] also occurs to give a similar adduct ((6)L)Fe(III)-(O(2)(-)) (2) [UV-vis: lambda(max) = 418 (Soret), 537 nm. (2)H NMR: delta(pyrrole) 8.9 ppm, 193 K]. Here, we are unable to distinguish between a bound solvent ligand or tethered pyridyl arm as axial base ligand. In all solvents, the dioxygen adducts decompose (thermally) to the ferric-hydroxy complex ((6)L)Fe(III)-OH (3) [UV-vis: lambda(max) = 412-414 (Soret), 566-575 nm; approximately delta(pyrrole) 120 ppm at 193 K]. This study on the O(2

  4. Effects of inflow conditions on discrete frequency noise generated by small, axial flow fans

    Science.gov (United States)

    Washburn, K. B.; Lauchle, G. C.

    1985-09-01

    Discrete frequency acoustic radiation is generated by subsonic axial flow fans through both steady and unsteady blade loading. Steady loading is a function of pumping requirement, and unsteady loading is generated by spatially periodic inflow distortions. The latter effect is the dominant generation mechanism when small fans are used to cool electronic equipment. Fans mounted to exhaust out of a device ingest distortions created by all objects within the unit. This work represents an empirical survey of noise generated by small axial flow cooling fans in the presence of upstream obstructions and various inlet configurations. The obstructions include a cylinder, a thin rectangle, a thick rectangle, and an electronic card gate model. Each of these represents obstructions found in a typical installation. Simple and modified inlet baffles, finger guards, and honeycomb flow straighteners are investigated. Design recommendations are offered to minimize discrete tone generation. These include aerodynamic shaping of unaviodable obstructions, a minimum axial distance of 0.3 fan radii for obstructions in the inlet, the avoidance of blockage in lateral inflow and the use of an inlet baffle to smooth inlet distortions. Account is taken of the spatial restictions of typical installations.

  5. Equilibria and kinetics for pH-dependent axial ligation of ethylester and methylester(aquo)cobaloximes with aromatic and aliphatic N-donor ligands and a molecular mechanistic study of the Co-C bond

    Indian Academy of Sciences (India)

    J V Madhuri; V Malathi; S Satyanarayana

    2004-03-01

    Equilibrium constants are determined for the reaction of ethylester and methyl ester (aquo) cobaloximes with histamine, histidine, glycine and ethyl glycine ester as a function of pH at 25°C, using spectrophotometric technique. The functional dependence of p on the substitution rate of H2O varies with the p of the incoming ligand, establishing the existence of nucleophilic participation of the ligand in the transition state. This data is interpreted with the help of kinetic data where dissociation kinetic reactions were also studied as a function of pH. Binding and kinetic data were correlated based on the basicity, steric hindrance of the entering ligand and HSAB principle. To compare the rate constants of the entering ligands pH-independent second-order rate constants were calculated. The effect of incoming ligand on Co-C bond is studied using molecular mechanics.

  6. Assembling Stabilization of the Rayleigh-Taylor Instability by the Effects of Finite Larmor Radius and Sheared Axial Flow

    Institute of Scientific and Technical Information of China (English)

    Jian Guangde; Huang Lin; Qiu Xiaoming

    2005-01-01

    The assembling stabilizing effect of the finite Larmor radius (FLR) and the sheared axial flow (SAF) on the Rayleigh-Taylor instability in Z-pinch implosions is studied by means of the incompressible finite Larmor radius magnetohydrodynamic (MHD) equations. The finite Larmor radius effects are introduced in the momentum equation with the sheared axial flow through an anisotropic ion stress tensor. In this paper a linear mode equation is derived that is valid for arbitrary kL, where k is the wave number and L is the plasma shell thickness. Numerical solutions are presented. The results indicate that the short-wavelength modes of the RayleighTaylor instability are easily stabilized by the individual effect of the finite Larmor radius or the sheared axial flow. The assembling effects of the finite Larmor radius and sheared axial flow can heavily mitigate the Rayleigh-Taylor instability, and the unstable region can be compressed considerably.

  7. 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.

  8. Spin filter due to spin Hall effect with axially asymmetric potential

    Science.gov (United States)

    Yokoyama, Tomohiro; Eto, Mikio

    2010-02-01

    We examine a three-terminal spin filter including an artificial potential created by antidot, scanning tunnel microscope (STM) tip, etc., fabricated on semiconductor heterostructures with strong spin-orbit interaction. When the potential is attractive and its strength is properly tuned, the resonant scattering takes place, which enhances the extrinsic spin Hall effect. As a result, the efficiency of the spin filter can be more than 50% when the potential is axially symmetric. The efficiency becomes smaller when the symmetry is broken, but we still expect an efficient spin filter unless the degree of asymmetry is too large.

  9. Chiral extrapolation of nucleon axial charge gA in effective field theory

    Science.gov (United States)

    Li, Hong-na; Wang, P.

    2016-12-01

    The extrapolation of nucleon axial charge gA is investigated within the framework of heavy baryon chiral effective field theory. The intermediate octet and decuplet baryons are included in the one loop calculation. Finite range regularization is applied to improve the convergence in the quark-mass expansion. The lattice data from three different groups are used for the extrapolation. At physical pion mass, the extrapolated gA are all smaller than the experimental value. Supported by National Natural Science Foundation of China (11475186) and Sino-German CRC 110 (NSFC 11621131001)

  10. Effect of axial groove and resin luting cements on the retention of complete cast metal crowns

    Directory of Open Access Journals (Sweden)

    K Rajkumar

    2009-01-01

    Full Text Available Background : The design of the tooth preparation and the cementing medium are important consid-erations in the retention of crowns and fixed partial dentures. The purpose of this invitro study was to determine the effect of axial groove on the retention of complete cast metal crowns using two resin luting cements. Methods: Forty freshly extracted intact human molar teeth were prepared in their long axis to receive complete cast metal crowns. The specimens were randomly divided into two groups (one control and one study group. An axial groove of uniform size and shape was made on the prepared teeth under the study group. Axial surface area of prepared teeth specimens was measured. Complete cast metal crowns were fabricated for each specimen. Specimens of each group were divided into subgroups of 10 samples and were cemented with two resin luting cements, RelyX Unicem® and Calibra®, re-spectively. The cemented crowns were loaded in tension using a Universal Instron testing machine. The maximal tensile strength was recorded. Data were compared using the Mann-Whitney U test (α=0.05. Results: No significant differences in the tensile stress values were noted between the control (mean: 5.76±0.392 MPa and study (mean: 5.93±0.751 MPa groups cemented with RelyX Unicem. No sig-nificant differences in the tensile stress values were noted between the control (mean: 4.92±0.641 MPa and study (mean: 5.15 ±0.478 MPa groups cemented with Calibra. However, significant dif-ference in the tensile stress values was found between the two resin cements in the control and study groups. Conclusion: Axial groove placed in tooth preparations for resin bonded complete cast metal crowns had no statistically significant effect on retention. The use of (RelyX Unicem® yielded greater reten-tion values when compared to Calibra®.

  11. Effect of Radial Density Configuration on Wave Field and Energy Flow in Axially Uniform Helicon Plasma

    Science.gov (United States)

    Chang, Lei; Li, Qingchong; Zhang, Huijie; Li, Yinghong; Wu, Yun; Zhang, Bailing; Zhuang, Zhong

    2016-08-01

    The effect of the radial density configuration in terms of width, edge gradient and volume gradient on the wave field and energy flow in an axially uniform helicon plasma is studied in detail. A three-parameter function is employed to describe the density, covering uniform, parabolic, linear and Gaussian profiles. It finds that the fraction of power deposition near the plasma edge increases with density width and edge gradient, and decays in exponential and “bump-on-tail” profiles, respectively, away from the surface. The existence of a positive second-order derivative in the volume density configuration promotes the power deposition near the plasma core, which to our best knowledge has not been pointed out before. The transverse structures of wave field and current density remain almost the same during the variation of density width and gradient, confirming the robustness of the m=1 mode observed previously. However, the structure of the electric wave field changes significantly from a uniform density configuration, for which the coupling between the Trivelpiece-Gould (TG) mode and the helicon mode is very strong, to non-uniform ones. The energy flow in the cross section of helicon plasma is presented for the first time, and behaves sensitive to the density width and edge gradient but insensitive to the volume gradient. Interestingly, the radial distribution of power deposition resembles the radial profile of the axial component of current density, suggesting the control of the power deposition profile in the experiment by particularly designing the antenna geometry to excite a required axial current distribution. supported by National Natural Science Foundation of China (No. 11405271)

  12. Axial myopathy

    DEFF Research Database (Denmark)

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

    2016-01-01

    musculature involvement in the majority of myopathies in which paraspinal musculature was examined. Even in diseases named after a certain pattern of non-axial muscle affection, such as facioscapulohumeral and limb girdle muscular dystrophies, affection of the axial musculature was often severe and early...

  13. Stall Characteristics and Tip Clearance Effects in Forward Swept Axial Compressor Rotors

    Institute of Scientific and Technical Information of China (English)

    Ramakrishna PV; Govardhan M

    2009-01-01

    Tilting the blade sections to the flow direction (blade sweep) would increase the operating range of an axial com-pressor due to modifications in the pressure and velocity fields on the suction surface. On the other hand, blade tip gap, though finite, has great influence on the performance of a turbomachine. The present paper investigates the combined effect of these two factors on various flow characteristics in'a low speed axial flow compressor. For this present study, nine computational domains were modeled; three rotor sweep configurations (0°, 20° and 30°) and for three different clearance levels for each rotor. Commercial CFD solver ANSYS CFX 11.0 is used for the simulations. Results indicated that tip chordline sweep is found to improve the stall margin of the compressor by modifying the suction surface boundary layer migration phenomenon. Diffusion Factor (DF) contours showed the severity of stalling with unswept rotor. For the swept rotors, the zones of high probable stall are less severe and they become less in size with increasing sweep. Increment in the tip gap is found to gradually affect the perform-ance of unswept rotor, while the effect is very high for the two swept rotors for the earlier increments. As a mini-mum clearance is unavoidable, swept rotors suffer relatively higher deviation from the idealistic behavior than the unswept rotor due to tip clearance.

  14. 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.

  15. The Effect of Amplitude Modulation on the Axial Resolution of Doppler-Based Ultrasonic Topography Measurement

    DEFF Research Database (Denmark)

    RezaNejad Gatabi, Javad; Das, Sayantan; Forouzbakhsh, Farshid

    2016-01-01

    of the Doppler measurement techniques. A modified Doppler measurement system that significantly improves the measurement accuracy is also presented. The fabricated sensor has 72-μm measurement accuracy using 40-kHz transducers. This technique can also be employed in cost-effective displacement measurement...... variation of the received signal. Amplitude variation significantly affects the measurement accuracy when the surface axial displacement range is comparable with the ultrasonic wavelength. This paper presents a theoretical and experimental study of the effect of amplitude modulation on the performance......Ultrasonic Doppler-based systems for surface topography measurements are attractive alternatives to the transit-time-based methods. Sensors used in Doppler systems are less dependent on the speed of the sound in air, although contemporary Doppler measurement systems are sensitive to the amplitude...

  16. Parametric analysis of thermal effect on hydrostatic slipper bearing capacity of axial piston pump

    Institute of Scientific and Technical Information of China (English)

    汤何胜; 訚耀保; 张阳; 李晶

    2016-01-01

    Hydrostatic slipper was often used in friction bearing design, allowing improvement of the latter’s dynamic behavior. The influence of thermal effect on hydrostatic slipper bearing capacity of axial piston pump was investigated. A set of lumped parameter mathematical models were developed based on energy conservation law of slipper/ swash plate pair. The results show that thermal equilibrium clearance due to solid thermal deformation periodically changes with shaft rotational angle. The slipper bearing capacity increases dramatically with decreasing thermal equilibrium clearance. In order to improve the slipper bearing capacity, length-to-diameter ratio of fixed damper varies from 3.5 to 8.75 and radius ratio of slipper varies from 1.5 to 2.0. In addition, the higher slipper thermal conductivity is useful to improve slipper bearing capability, but the thermal equilibrium clearance is not compromised.

  17. Application of nonlocal models to nano beams. Part I: Axial length scale effect.

    Science.gov (United States)

    Kim, Jun-Sik

    2014-10-01

    Applicability of nonlocal models to nano-beams is discussed in terms of physical implications via the similarity between a nonlocal Euler-Bernoulli (EB) beam theory and a classical Rankine-Timoshenko (RT) beam theory. The nonlocal EB beam model, Eringen's model, is briefly reviewed and the classical RT beam theory is recast by the primary variables of the EB model. A careful comparison of these two models reveals that the scale parameter used to the Eringen's model has a strike resemblance to the shear flexibility in the RT model. This implies that the nonlocal model employed in literature consider the axial length scale effect only. In addition, the paradox for a cantilevered nano-beam subjected to tip shear force is clearly explained by finding appropriate displacement prescribed boundary conditions.

  18. Effect of Deformation Condition on Axial CompressivePrecision Forming Process of Tube with Curling Die

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The effect of the deformation condition on the axial compressive precision forming process of tube with curling die was investigated by using a rigid-plastic FEM. The results show that the forming accuracy depends mainly on geometric condition rρ/d0, little on tube material properties and friction condition; the relative gap Δ/2rρ of double-walled tubes obtained decreases with increasing rρ/d0, and there is a parameter k for a given t0/d0 or rρ/t0, when rρ,/d0>k, Δ/2rρ<1,otherwise Δ/2rρ>1.

  19. The effects of compressive sensing on extracted features from tri-axial swallowing accelerometry signals.

    Science.gov (United States)

    Sejdić, Ervin; Movahedi, Faezeh; Zhang, Zhenwei; Kurosu, Atsuko; Coyle, James L

    2016-04-17

    Acquiring swallowing accelerometry signals using a comprehensive sensing scheme may be a desirable approach for monitoring swallowing safety for longer periods of time. However, it needs to be insured that signal characteristics can be recovered accurately from compressed samples. In this paper, we considered this issue by examining the effects of the number of acquired compressed samples on the calculated swallowing accelerometry signal features. We used tri-axial swallowing accelerometry signals acquired from seventeen stroke patients (106 swallows in total). From acquired signals, we extracted typically considered signal features from time, frequency and time-frequency domains. Next, we compared these features from the original signals (sampled using traditional sampling schemes) and compressively sampled signals. Our results have shown we can obtain accurate estimates of signal features even by using only a third of original samples.

  20. Effect of Control Blade History, and Axial Coolant Density and Burnup Profiles on BWR Burnup Credit

    Energy Technology Data Exchange (ETDEWEB)

    Ade, Brian J [ORNL; Marshall, William BJ J [ORNL; Martinez-Gonzalez, Jesus S [ORNL

    2015-05-01

    Oak Ridge National Laboratory (ORNL) and the US Nuclear Regulatory Commission (NRC) have initiated a multiyear project to investigate the application of burnup credit (BUC) for boiling water reactor (BWR) fuel in storage and transportation systems (often referred to as casks) and spent fuel pools (SFPs). This work is divided into two main phases. The first phase investigated the applicability of peak reactivity methods currently used in SFPs to transportation and storage casks and the validation of reactivity calculations and spent fuel compositions within these methods. The second phase focuses on extending BUC beyond peak reactivity. This paper documents the analysis of the effects of control blade insertion history, and moderator density and burnup axial profiles for extended BWR BUC.

  1. Microwave Radiation Effect on Axial Fluid Permeability in False Heartwood of Beech (Fagus sylvatica L.

    Directory of Open Access Journals (Sweden)

    Vojtěch Koiš

    2016-10-01

    Full Text Available This study evaluated the effect of microwave radiation on the fluid permeability and compression strength parallel to the grain of beech false heartwood. European beech (Fagus sylvatica L. was selected, and samples of false heartwood with dimensions of 30×20×20 mm3 were used. The microwave treatment was carried out in a laboratory device at a frequency of 2.45 GHz. The testing samples were divided into three groups (untreated, treated at 20-s intervals, and treated at 30-s intervals. The permeability was measured in the axial direction using distilled water. The coefficient of specific permeability was calculated using Darcy’s law. The results showed that the coefficient of specific permeability increased by up to 159% in comparison with untreated samples. The compression strength parallel to the grain decreased by up to 15%.

  2. The effects of compressive sensing on extracted features from tri-axial swallowing accelerometry signals

    Science.gov (United States)

    Sejdić, Ervin; Movahedi, Faezeh; Zhang, Zhenwei; Kurosu, Atsuko; Coyle, James L.

    2016-05-01

    Acquiring swallowing accelerometry signals using a comprehensive sensing scheme may be a desirable approach for monitoring swallowing safety for longer periods of time. However, it needs to be insured that signal characteristics can be recovered accurately from compressed samples. In this paper, we considered this issue by examining the effects of the number of acquired compressed samples on the calculated swallowing accelerometry signal features. We used tri-axial swallowing accelerometry signals acquired from seventeen stroke patients (106 swallows in total). From acquired signals, we extracted typically considered signal features from time, frequency and time-frequency domains. Next, we compared these features from the original signals (sampled using traditional sampling schemes) and compressively sampled signals. Our results have shown we can obtain accurate estimates of signal features even by using only a third of original samples.

  3. Secondary interactions or ligand scrambling? Subtle steric effects govern the iridium(I) coordination chemistry of phosphoramidite ligands.

    Science.gov (United States)

    Osswald, Tina; Rüegger, Heinz; Mezzetti, Antonio

    2010-01-25

    The like and unlike isomers of phosphoramidite (P*) ligands are found to react differently with iridium(I), which is a key to explaining the apparently inconsistent results obtained by us and other research groups in a variety of catalytic reactions. Thus, the unlike diastereoisomer (aR,S,S)-[IrCl(cod)(1 a)] (2 a; cod=1,5-cyclooctadiene, 1 a=(aR,S,S)-(1,1'-binaphthalene)-2,2'-diyl bis(1-phenylethyl)phosphoramidite) forms, upon chloride abstraction, the monosubstituted complex (aR,S,S)-[Ir(cod)(1,2-eta-1 a,kappaP)](+) (3 a), which contains a chelating P* ligand that features an eta(2) interaction between a dangling phenyl group and iridium. Under analogous conditions, the like analogue (aR,R,R)-1 a' gives the disubstituted species (aR,R,R)-[Ir(cod)(1 a',kappaP)(2)](+) (4 a') with monodentate P* ligands. The structure of 3 a was assessed by a combination of X-ray and NMR spectroscopic studies, which indicate that it is the configuration of the binaphthol moiety (and not that of the dangling benzyl N groups) that determines the configuration of the complex. The effect of the relative configuration of the P* ligand on its iridium(I) coordination chemistry is discussed in the context of our preliminary catalytic results and of apparently random results obtained by other groups in the iridium(I)-catalyzed asymmetric allylic alkylation of allylic acetates and in rhodium(I)-catalyzed asymmetric cycloaddition reactions. Further studies with the unlike ligand (aS,R,R)-(1,1'-binaphthalene)-2,2'-diyl bis{[1-(1-naphthalene-1-yl)ethyl]phosphoramidite} (1 b) showed a yet different coordination mode, that is, the eta(4)-arene-metal interaction in (aS,R,R)-[Ir(cod)(1,2,3,4-eta-1 b,kappaP)](+) (3 b).

  4. Effect of tip flange on tip leakage flow of small axial flow fans

    Science.gov (United States)

    Zhang, Li; Jin, Yingzi; Jin, Yuzhen

    2014-02-01

    Aerodynamic performance of an axial flow fan is closely related to its tip clearance leakage flow. In this paper, the hot-wire anemometer is used to measure the three dimensional mean velocity near the blade tips. Moreover, the filtered N-S equations with finite volume method and RNG k-ɛ turbulence model are adopted to carry out the steady simulation calculation of several fans that differ only in tip flange shape and number. The large eddy simulation and the FW-H noise models are adopted to carry out the unsteady numerical calculation and aerodynamic noise prediction. The results of simulation calculation agree roughly with that of tests, which proves the numerical calculation method is feasible.The effects of tip flange shapes and numbers on the blade tip vortex structure and the characteristics are analyzed. The results show that tip flange of the fan has a certain influence on the characteristics of the fan. The maximum efficiencies for the fans with tip flanges are shifted towards partial flow with respect to the design point of the datum fan. Furthermore, the noise characteristics for the fans with tip flanges have become more deteriorated than that for the datum fan. Tip flange contributes to forming tip vortex shedding and the effect of the half-cylinder tip flange on tip vortex shedding is obvious. There is a distinct relationship between the characteristics of the fan and tip vortex shedding. The research results provide the profitable reference for the internal flow mechanism of the performance optimization of small axial flow fans.

  5. Investigation of the Effects of Airfoil-probes on the Aerodynamic Performance of an Axial Compressor

    Institute of Scientific and Technical Information of China (English)

    HE Xiang; MA Hongwei; REN Minglin; XIANG Honghui

    2012-01-01

    In order to investigate the effects of the airfoil-probes on the aerodynamic performance of an axial compressor,a numerical simulation of 3D flow field is performed in a 1.5-stage axial compressor with airfoil-probes installed at the stator leading-edge (LE).The airfoil-probes have a negative influence on the compressor aerodynamic performance at all operating points.A streamwise vortex is induced by the airfoil-probe along both sides of the blade.At the mid-operating point,the vortex is notable along the pressure side and is relatively small along the suction side (SS).At the near-stall point,the vortex is slightly suppressed in the pressure surface (PS),but becomes remarkable in the suction side.A small local-separation is induced by the interactions between the vortex and the end-wall boundary layer in the corner region near the hub.That the positive pitch angle of the airfoil-probe at 6.5% span is about 15° plays an important role in the vortex evolution near the hub,which causes the fact that the airfoil-probe near the hub has the largest effects among the four airfoil-probes.In order to get a further understanding of the vortex evolution in the stator in the numerical simulation,a flow visualization experiment in a water tunnel is performed.The flow visualization results give a deep insight into the evolution of the vortex induced by the airfoil-probe.

  6. Cationic Gold Clusters Ligated with Differently Substituted Phosphines: Effect of Substitution on Ligand Reactivity and Binding

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Grant E.; Olivares, Astrid M.; Hill, David E.; Laskin, Julia

    2015-01-01

    We present a systematic study of the effect of the number of methyl (Me) and cyclohexyl (Cy) functional groups in monodentate phosphine ligands on the solution-phase synthesis of ligated sub-nanometer gold clusters and their gas-phase fragmentation pathways. Small mixed ligand cationic gold clusters were synthesized using ligand exchange reactions between pre-formed triphenylphosphine ligated (PPh3) gold clusters and monodentate Me- and Cy-substituted ligands in solution and characterized using electrospray ionization mass spectrometry (ESI-MS) and collision-induced dissociation (CID) experiments. Under the same experimental conditions, larger gold-PPh3 clusters undergo efficient exchange of unsubstituted PPh3 ligands for singly Me- and Cy-substituted PPh2Me and PPh2Cy ligands. The efficiency of ligand exchange decreases with an increasing number of Me or Cy groups in the substituted phosphine ligands. CID experiments performed for a series of ligand-exchanged gold clusters indicate that loss of a neutral Me-substituted ligand is preferred over loss of a neutral PPh¬3 ligand while the opposite trend is observed for Cy-substituted ligands. The branching ratio of the competing ligand loss channels is strongly correlated with the electron donating ability of the phosphorous lone pair as determined by the relative proton affinity of the ligand. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3< PPh2Cy < PPhCy2< PCy3. Furthermore, the difference in relative ligand binding energies increases with the number of substituted PPh3-mMem or PPh3-mCym ligands (L) exchanged onto each cluster. This study provides the first experimental determination of the relative binding energies of ligated gold clusters containing differently substituted monophosphine ligands, which are important to controlling their synthesis and reactivity in solution. The results also indicate that ligand substitution is an important

  7. Effect of Higher Order Axial Electron Temperature on Self-Focusing of Electromagnetic Pulsed Beam in Collisional Plasma

    Institute of Scientific and Technical Information of China (English)

    夏雄平; 易林

    2012-01-01

    Effect of higher order axial electron temperature on self-focusing of electromagnetic pulsed beam in collisional plasma is investigated.It is shown that higher order axial electron temperature T p4 is not trivial than T p0 and T p2,which can modify slightly radial redistribution of electron density and increases effective dielectric constant.As a result,on one hand,slightly reduce electromagnetic beam self-focusing in the course of oscillatory convergence,on the other hand,quicken beam divergence in the course of steady divergence,i.e.,higher order axial electron temperature T p4 can decrease the influence of collisional nonlinearity in collisional plasma.

  8. FFT Analysis on Coupling Effect of Axial and Torsional Vibrations in Circular Cross Section Beam of Steam Turbine Generators

    Directory of Open Access Journals (Sweden)

    Xiang Xu

    2013-09-01

    Full Text Available This paper presents a novel method to nonlinearly investigate the dynamics of the coupled axial and torsional vibrations in the circular cross section beam of the steam turbine generator using the FFT analysis. Firstly, the coupled axial and torsional vibrations of a beam are proved by equivalent law of shearing stress and different boundary conditions. Then, a nonlinear mathematical model of the coupled axial and torsional vibrations is established by the Galerkin method. Lastly, the fast Fourier transform (FFT is employed to investigate the coupled effect of the beam vibration. A practical calculation example is calculated numerically and the coupled mechanism of the beam’s axial and torsional vibrations is analyzed in detail. The analysis results show that the frequencies of the coupled response would be existed in some special orders and the coupled response frequencies are smaller than the single vibration. Since for the first time the coupled mechanism of the beam’s axial and torsional vibrations is theoretically analyzed, the findings in this work may provide directive reference for practical engineering problems in design of steam turbine generators.

  9. 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.

  10. 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......) for improved diagnosis of patients with non-radiographic axial SpA, and in particular on the classification utility of the MRI criteria as defined by the Assessment of Spondyloarthritis International Society (ASAS). New and more sensitive methods for evaluation of MRI of the sacroiliac joints have been...

  11. Effects of axial load and structural damping on wave propagation in periodic Timoshenko beams on elastic foundations under moving loads

    Science.gov (United States)

    Ding, Lan; Zhu, Hong-Ping; Wu, Li

    2016-07-01

    The propagation and attenuation properties of waves in ordered and disordered periodic composite Timoshenko beams, which consider the effects of axial static load and structural damping, resting on elastic foundations are studied when the system is subjected to moving loads of constant amplitude with a constant velocity. The transfer matrix methodology is adopted to formulate the model in a reference coordinate system moving with the load. The localization factor is calculated to determine the wave velocity pass bands and stop bands. The interactions between the static axial load and moving load, structural damping and disorder on the bands are analyzed.

  12. Effect of Axial Pre-Compression on Lateral Performance of Masonry Under Cyclic Loading

    Directory of Open Access Journals (Sweden)

    Syed HassanFarooq

    2011-10-01

    Full Text Available Strengthening of masonry against seismic events is very essential and getting maximum attention of researchers around the globe. An extensive experimental program was carried out to study the in-plane lateral performance of un-reinforced masonry, strengthened and retrofitted masonry wall panels under lateral cyclic loading. Twenty tests were carried out; four tests under monotonic lateral loading, twelve tests under static cyclic loading and four tests under pure compression. The test results were analyzed in five groups and this paper presents the analysis of group 4, which deals with effect of axial pre-compression on masonry seismic performance. Three single leaf panels with aspect ratio of 0.67 having size 1.65x1.1m were constructed using same material and workmanship. All the three un-reinforced walls were tested under 0, 0.5 and 1.0MPa vertical pre-compression and displacement controlled static cyclic loading. The wall tested under 0.5MPa pre-compression was reference specimen. The key parameters studied were hysterics behavior, peak lateral load, ultimate lateral displacement, energy dissipation, ductility, response factor and damping ratio. It was observed that level of axial pre-compression has significant effect on lateral capacity, failure mode and performance of masonry. In case of zero pre-compression the lateral capacity was very less and wall went into rocking failure at early stages of loading. Increase in pre-compression to 1.0MPa enhanced the lateral capacity by a factor of 1.92 times. After analysis of test results, it is found that pre-compression has significant effect on lateral capacity, failure mode and performance of masonry. In case of zero pre-compression the lateral capacity was very less and wall went into rocking failure at early stages of loading. Increase in pre-compression to 1.0MPa enhanced the lateral capacity by a factor of 1.92 times. After analysis of test results, it is found that pre-compression has very

  13. Vacuum effects in magnetic field with with account for fermion anomalous magnetic moment and axial-vector interaction

    Science.gov (United States)

    Bubnov, Andrey; Gubina, Nadezda; Zhukovsky, Vladimir

    2016-05-01

    We study vacuum polarization effects in the model of Dirac fermions with additional interaction of an anomalous magnetic moment with an external magnetic field and fermion interaction with an axial-vector condensate. The proper time method is used to calculate the one-loop vacuum corrections with consideration for different configurations of the characteristic parameters of these interactions.

  14. 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.

  15. Investigation of near-axial interference effects in long-range acoustic propagation in the ocean

    Science.gov (United States)

    Grigorieva, Natalie S.; Fridman, Gregory M.

    2002-05-01

    The observed time-of-arrival patterns from a number of long-range ocean acoustic propagation experiments show early geometrical-like arrivals followed by a crescendo of energy that propagates along the sound-channel axis and is not resolved into individual arrivals. The two-dimensional reference point source problem for the parabolic index of refraction squared is investigated to describe in a simple model case the interference of near-axial waves which resulted in forming the so-called axial wave and propose a formula for the axial wave in more general cases. Using the method proposed by Buldyrev [V. Buldyrev, Tr. Mat. Inst. Steklov 115, 78-102 (1971)], the integral representation for the exact solution is transformed in such a way to extract ray summands corresponding to rays radiated from the source at angles less than a certain angle, the axial wave, and a term corresponding to the sum of all the rays having launch angles greater than the indicated angle. Numerical results for the axial wave and the last term are obtained for parameters corresponding to long-range ocean acoustic propagation experiments. The generalization of the obtained formula for the axial wave to the case of an arbitrary range-independent sound speed is given and discussed. [Work supported by VSP Grant No. N00014-01-4003.

  16. Stepped tip gap effects on a transonic axial-flow compressor rotor

    Science.gov (United States)

    Thompson, Donald William

    The effects of stepped tip gaps and clearance levels on the performance, flowfield, and stall characteristics of a transonic axial-flow compressor rotor were experimentally and numerically determined. A theory and mechanism for relocation of blockage in the rotor tip region was developed. A two-stage compressor with no inlet guide vanes was tested in a modern transonic compressor research facility. The first-stage rotor was unswept and was tested for an optimum tip clearance with variations in stepped gaps machined into the casing near the aft tip region of the rotor. Nine casing geometries were investigated consisting of three step profiles at each of three clearance levels. For small and intermediate clearances, stepped tip gaps were found to improve pressure ratio, efficiency, and flow range for most operating conditions. At 100% design rotor speed, stepped tip gaps produced a doubling of mass flow range with as much as a 2.0% increase in mass flow and a 1.5% improvement in efficiency. The flowfield characteristics associated with performance improvements were experimentally and numerically analyzed. Stepped tip gaps were found to have no significant effect on the stall characteristics of the rotor; the stability characteristics attributable to tip geometry were determined by the clearance over the forward portion of the rotor blade. This study provides guidelines for engineers to improve compressor performance for an existing design by applying an optimum casing profile.

  17. Effect of ligands on thermal dissipation from gold nanorods.

    Science.gov (United States)

    Alper, Joshua; Hamad-Schifferli, Kimberly

    2010-03-16

    Thermal interface conductance was measured for soluble gold nanorods (NRs) coated with mercaptocarboxylic acids (HS-(CH(2))(n)COOH, n = 5, 10, 15), thiolated polyethylene glycols (MW = 356, 1000, 5000), and HS-(CH(2))(15)-COOH-coated NRs further coated with alternating layers of poly(diallyldimethylammonium chloride) and poly(sodium styrenesulfonate). Ferguson analysis determined ligand thickness. The thermal-diffusion-dominated regime of transient absorption spectra was fit to a continuum heat diffusion finite element model to obtain the thermal interface conductance, G, which varied with ligand chemistry but not molecule length. The results suggest that the ability to exclude water from the NR surface governs ligand G values.

  18. 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

  19. Axial anomaly effects in finite isospin $\\chi$PT in a magnetic field

    CERN Document Server

    Adhikari, Prabal

    2015-01-01

    In this paper, we consider finite isospin chiral perturbation theory including the effects of the axial anomaly (through the Wess-Zumino-Witten term) in a strong magnetic field. We firstly prove that in a strong external magnetic field ($H_{\\rm ext}$) or more precisely the Schwinger limit, where photon back-reactions are suppressed, only neutral pions can condense and the condensation of charged pions is forbidden. Secondly, we find that the $\\pi^{0}$ domain wall is an example of a phase that can exist in a strong magnetic field and suggest the existence of a new phase transition line from the normal vacuum state to the $\\pi^{0}$ domain wall state. This phase transition exists for non-zero pion masses if the baryon chemical potential exceeds a critical value $16\\pi f_{\\pi}^{2}m_{\\pi}/eH_{\\rm ext}$. The phase transition line persists away from the Schwinger limit when the photons can back-react to the external magnetic field.

  20. Effects of a Kind of Non-smooth Blade on the Performance of an Axial Fan

    Institute of Scientific and Technical Information of China (English)

    Hongwei MA; Jibo GUO

    2006-01-01

    This paper presents an experimental investigation of effects of a kind of streamwise-grooved blade on the performance of an axial-flow fan. The flow field at 25% chord downstream from the trailing edge at hub was measured using a 5-hole pressure probe at different mass-flow conditions. The fan performance of the groove blades was compared with that of the smooth blades. The measurement results indicate that: (1) the non-smooth blades increase mass flow of the fan at the same throttle conditions except a near stall condition; (2) the non-smooth blades reduce the relative total pressure loss in the rotor passage and increase the fan's total pressure rise at the test mass-flow conditions except the near stall condition; (3) Negative benefits are obtained at a near stall condition when the smooth blades are replaced by the non-smooth ones. The fan mass flow decreases 0.9%while the total-pressure rise decreases 2.4% at the near stall condition.

  1. Effect of axial vibration on free surface flows in cylindrical liquid

    Institute of Scientific and Technical Information of China (English)

    Pan Xiu-Hong; Jin Wei-Qing

    2005-01-01

    The influence of axial vibration on free surface flows in an open cylindrical container was studied by optical in situ observation method under isothermal conditions. This ground-based experiment was performed on an electromagnetic vibrator with oscillatory frequency of 100Hz. Water-glycerol mixture was chosen as the model liquid. Results showed that small amplitude (< 100μm) could generate a new type of steady streaming flows on a free surface, which were mainly driven by the combination of propagating surface wave and Stokes layer effect. The steady flow manifested various patterns according to the vibration amplitude level. Higher amplitude made steady flow periodical or turbulent,which could be characterized by the critical vibrational dimensionless Reynolds number (Nre)c. The calculated value of (Nre)c was of the magnitude of 10-2 - 10-1. In addition, surface streaming velocities were measured by the particle scattering technique. It was found that the velocity increased parabolically with vibration amplitude and decreased with viscosity for a fixed flow pattern.

  2. The effect of calibrated nonlocal constant on the modal parameters and stability of axially compressed CNTs

    Science.gov (United States)

    Fathi, Reza; Lotfan, Saeed

    2016-05-01

    Nowadays investigating the vibration behavior of carbon nanotubes (CNTs) has drawn considerable attention due to the superior mechanical properties of the CNTs. One of the powerful theoretical methods to study the vibration behavior of CNTs is implementing the nonlocal theory. Most of studies on the vibration behavior of CNTs have assumed a fixed value for small scale parameter for all vibration modes, however, this value is mode-dependent. Therefore, in this paper, the small scale parameter is calibrated for a single-walled carbon nanotube (SWCNT) with respect to each vibration mode. For this propose, the governing equation of motion based on the nonlocal beam theory is extracted by applying the Hamilton's principle. Then, by using the power series method, an eigenvalue problem is defined to derive the calibrated value of small scale constant and nonlocal mode shapes of the CNT. By using the expansion theory, the equation of motion is discretized, and the effect of nonlocality on the modal parameters and stability of the CNT under compressive force is investigated. Finally, the possibility of estimating nonlocal parameter based on simulated frequency domain response of the system by using modal analysis methods is studied. The results show that the calibration of small scale constant is important and the critical axial force is highly sensitive to this value.

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

    Science.gov (United States)

    Wang, Chunxiang; Liu, Yanhui; Fan, Yangtao; Liu, Yijun; Li, Qiancheng; Xu, Houqiang

    2016-06-01

    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.

  4. 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

  5. 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.)

  6. 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...

  7. Effect of impeller reflux balance holes on pressure and axial force of centrifugal pump

    Institute of Scientific and Technical Information of China (English)

    CAO Wei-dong; DAI Xun; HU Qi-xiang

    2015-01-01

    The size of impeller reflux holes for centrifugal pump has influence on the pressure distribution of front and rear shrouds and rear pump chamber, as well as energy characteristics of whole pump and axial force. Low specific-speed centrifugal pump with Q=12.5 m3/h,H=60 m,n=2950 r/min was selected to be designed with eight axial reflux balance holes with 4.5 mm in diameter. The simulated Q-H curve and net positive suction head (NPSH) were in good agreement with experimental results, which illustrated that centrifugal pump with axial reflux balance holes was superior in the cavitation characteristic; however, it showed to little superiority in head and efficiency. The pressure in rear pump chamber at 0.6 times rate flow is 29.36% of pressure difference between outlet and inlet, which reduces to 29.10% at rate flow and 28.33% at 1.4 times rate flow. As the whole, the pressure distribution on front and rear shrouds from simulation results is not a standard parabola, and axial force decreases as flow rate increases. Radical reflux balance holes chosen to be 5.2 mm and 5.9 mm in diameter were further designed with other hydraulic parts unchanged. With structural grids adopted for total flow field, contrast numerical simulation on internal flow characteristics was conducted based on momentum equations and standard turbulence model (κ-ε). It is found that axial force of pump with radical reflux balance holes of 5.2 mm and 5.9 mm in diameter is significantly less than that with radical reflux balance holes of 4.5 mm in diameter. Better axial force balance is obtained as the ratio of area of reflux balance holes and area of sealing ring exceeds 6.

  8. The effect of variable stator on performance of a highly loaded tandem axial flow compressor stage

    Science.gov (United States)

    Eshraghi, Hamzeh; Boroomand, Masoud; Tousi, Abolghasem M.; Fallah, Mohammad Toude; Mohammadi, Ali

    2016-06-01

    Increasing the aerodynamic load on compressor blades helps to obtain a higher pressure ratio in lower rotational speeds. Considering the high aerodynamic load effects and structural concerns in the design process, it is possible to obtain higher pressure ratios compared to conventional compressors. However, it must be noted that imposing higher aerodynamic loads results in higher loss coefficients and deteriorates the overall performance. To avoid the loss increase, the boundary layer quality must be studied carefully over the blade suction surface. Employment of advanced shaped airfoils (like CDAs), slotted blades or other boundary layer control methods has helped the designers to use higher aerodynamic loads on compressor blades. Tandem cascade is a passive boundary layer control method, which is based on using the flow momentum to control the boundary layer on the suction surface and also to avoid the probable separation caused by higher aerodynamic loads. In fact, the front pressure side flow momentum helps to compensate the positive pressure gradient over the aft blade's suction side. Also, in comparison to the single blade stators, tandem variable stators have more degrees of freedom, and this issue increases the possibility of finding enhanced conditions in the compressor off-design performance. In the current study, a 3D design procedure for an axial flow tandem compressor stage has been applied to design a highly loaded stage. Following, this design is numerically investigated using a CFD code and the stage characteristic map is reported. Also, the effect of various stator stagger angles on the compressor performance and especially on the compressor surge margin has been discussed. To validate the CFD method, another known compressor stage is presented and its performance is numerically investigated and the results are compared with available experimental results.

  9. The Effect of Variable Stator on Performance of a Highly Loaded Tandem Axial Flow Compressor Stage

    Institute of Scientific and Technical Information of China (English)

    Hamzeh Eshraghi; Masoud Boroomand; Abolghasem M.Tousi; Mohammad Toude Fallah; Ali Mohammadi

    2016-01-01

    Increasing the aerodynamic load on compressor blades helps to obtain a higher pressure ratio in lower rotational speeds.Considering the high aerodynamic load effects and structural concerns in the design process,it is possible to obtain higher pressure ratios compared to conventional compressors.However,it must be noted that imposing higher aerodynamic loads results in higher loss coefficients and deteriorates the overall performance.To avoid the loss increase,the boundary layer quality must be studied carefully over the blade suction surface.Employment of advanced shaped airfoils (like CDAs),slotted blades or other boundary layer control methods has helped the designers to use higher aerodynamic loads on compressor blades.Tandem cascade is a passive boundary layer control method,which is based on using the flow momentum to control the boundary layer on the suction surface and also to avoid the probable separation caused by higher aerodynamic loads.In fact,the front pressure side flow momentum helps to compensate the positive pressure gradient over the aft blade's suction side.Also,in comparison to the single blade stators,tandem variable stators have more degrees of freedom,and this issue increases the possibility of finding enhanced conditions in the compressor off-design performance.In the current study,a 3D design procedure for an axial flow tandem compressor stage has been applied to design a highly loaded stage.Following,this design is numerically investigated using a CFD code and the stage characteristic map is reported.Also,the effect of various stator stagger angles on the compressor performance and especially on the compressor surge margin has been discussed.To validate the CFD method,another known compressor stage is presented and its performance is numerically investigated and the results are compared with available experimental results.

  10. SU(3)--Breaking Effects in Axial--Vector Couplings of Octet Baryons

    CERN Document Server

    Gensini, P M; Gensini, Paolo M.; Violini, Galileo

    1993-01-01

    Present evidence on baryon axial--vector couplings is reviewed, the main emphasis being on internal consistency between asymmetry and rate data. A complete account of all {\\sl small} terms in the Standard Model description of these latter leads to {\\sl both} consistency {\\sl and} evidence for breaking of flavour SU(3) in the axial couplings of octet baryons. Talk presented at "5th Int. Sympos. on Meson--Nucleon Physics and the Structure of the Nucleon", Boulder, CO, sept. 1993. To be published in $\\pi N$ Newsletter.

  11. Functional Importance of Tyrosine 294 and the Catalytic Selectivity for the Bis-Fe(IV) State of MauG Revealed by Replacement of This Axial Heme Ligand with Histidine

    Energy Technology Data Exchange (ETDEWEB)

    Tarboush, Nafez Abu; Jensen, Lyndal M.R.; Feng, Manliang; Tachikawa, Hiroyasu; Wilmot, Carrie M.; Davidson, Victor L. (UMMC); (UMM); (Jackson)

    2010-12-07

    The diheme enzyme MauG catalyzes the posttranslational modification of a precursor protein of methylamine dehydrogenase (preMADH) to complete the biosynthesis of its protein-derived tryptophan tryptophylquinone (TTQ) cofactor. It catalyzes three sequential two-electron oxidation reactions which proceed through a high-valent bis-Fe(IV) redox state. Tyr294, the unusual distal axial ligand of one c-type heme, was mutated to His, and the crystal structure of Y294H MauG in complex with preMADH reveals that this heme now has His-His axial ligation. Y294H MauG is able to interact with preMADH and participate in interprotein electron transfer, but it is unable to catalyze the TTQ biosynthesis reactions that require the bis-Fe(IV) state. This mutation affects not only the redox properties of the six-coordinate heme but also the redox and CO-binding properties of the five-coordinate heme, despite the 21 {angstrom} separation of the heme iron centers. This highlights the communication between the hemes which in wild-type MauG behave as a single diheme unit. Spectroscopic data suggest that Y294H MauG can stabilize a high-valent redox state equivalent to Fe(V), but it appears to be an Fe(IV)=O/{pi} radical at the five-coordinate heme rather than the bis-Fe(IV) state. This compound I-like intermediate does not catalyze TTQ biosynthesis, demonstrating that the bis-Fe(IV) state, which is stabilized by Tyr294, is specifically required for this reaction. The TTQ biosynthetic reactions catalyzed by wild-type MauG do not occur via direct contact with the Fe(IV)=O heme but via long-range electron transfer through the six-coordinate heme. Thus, a critical feature of the bis-Fe(IV) species may be that it shortens the electron transfer distance from preMADH to a high-valent heme iron.

  12. 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...... imaging (MRI) scans were performed during upright standing and supine positions with and without axial load. In section 2, MRI scans were performed exclusively in supine positions, one with flexion of the lumbar spine (psoas-relaxed position), an extended position (legs straight), and an extended position...... of precautions taken to secure immobility during the vertical scans. This seemingly makes our standing posture less valuable as a standard of reference. In section 2, DCSA was reduced at all 5 lumbar levels after extension, and further reduced at 2 levels after adding compression (P

  13. 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

  14. The effect of suspension concentration on the buildup evolution in a HGMF-axial magnetic filter

    Science.gov (United States)

    Murariu, V.; Rezlescu, N.; Rotariu, O.; Badescu, V.

    1998-01-01

    In this work the influence of solid particles concentration from suspension on the buildup evolution for a single wire from a magnetic filter working in axial configuration is presented. The buildup differential equations are solved and the surface contour of the buildup at different moments is obtained. It is evidenced the existence of a suspension concentration for which the radial deposit extension is maximum.

  15. The effect of the longitudinal polarization component in multi-axial nulling interferometry for exoplanet detection

    NARCIS (Netherlands)

    Spronck, J.F.P.; Pereira, S.F.

    2009-01-01

    We show a fundamental limitation of multi-axial beam combiners in nulling interferometry. The longitudinal electric field induced by the focusing optics can drastically limit the performance of such a nulling interferometer. We further analyze the filtering capabilities of a single-mode optical fibe

  16. 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

    2016-06-01

    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 (high voltage gain (~6) and ultralow static power dissipation (high-performance high-density logic circuit using a low-temperature fabrication process, which makes it suitable for flexible electronics.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 (high voltage gain (~6) and ultralow static power dissipation (high-performance high-density logic circuit using a low-temperature fabrication process, which makes it suitable for flexible electronics. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01040g

  17. Effects of slot closure by soft magnetic powder wedge material in axial-field permanent magnet brushless machines

    Science.gov (United States)

    Gair, S.; Eastham, J. F.; Canova, A.

    1996-04-01

    The article reports on a study of the effects of slot closure in axial-field permanent magnet brushless machines by a two-dimensional finite element method (2D FEM) of analysis. The closure of the slots is made by using soft magnetic powder wedge material. Parameter values and machine performance for the open and closed slot configuration are computed. In order to test the 2D FEM model, calculated results are compared with measurements and favorable agreement is shown.

  18. 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.

  19. Effects of Shrouded Stator Cavity Flows on Multistage Axial Compressor Aerodynamic Performance

    Science.gov (United States)

    Wellborn, Steven R.; Okiishi, Theodore H.

    1996-01-01

    Experiments were performed on a low-speed multistage axial-flow compressor to assess the effects of shrouded stator cavity flows on aerodynamic performance. Five configurations, which involved changes in seal-tooth leakage rates and/or elimination of the shrouded stator cavities, were tested. Data collected enabled differences in overall individual stage and the third stage blade element performance parameters to be compared. The results show conclusively that seal-tooth leakage ran have a large impact on compressor aerodynamic performance while the presence of the shrouded stator cavities alone seemed to have little influence. Overall performance data revealed that for every 1% increase in the seal-tooth clearance to blade-height ratio the pressure rise dropped up to 3% while efficiency was reduced by 1 to 1.5 points. These observed efficiency penalty slopes are comparable to those commonly reported for rotor and cantilevered stator tip clearance variations. Therefore, it appears that in order to correctly predict overall performance it is equally important to account for the effects of seal-tooth leakage as it is to include the influence of tip clearance flows. Third stage blade element performance data suggested that the performance degradation observed when leakage was increased was brought about in two distinct ways. First, increasing seal-tooth leakage directly spoiled the near hub performance of the stator row in which leakage occurred. Second, the altered stator exit now conditions caused by increased leakage impaired the performance of the next downstream stage by decreasing the work input of the downstream rotor and increasing total pressure loss of the downstream stator. These trends caused downstream stages to progressively perform worse. Other measurements were acquired to determine spatial and temporal flow field variations within the up-and-downstream shrouded stator cavities. Flow within the cavities involved low momentum fluid traveling primarily

  20. Effect of radial plasma transport at the magnetic throat on axial ion beam formation

    Science.gov (United States)

    Zhang, Yunchao; Charles, Christine; Boswell, Rod

    2016-08-01

    Correlation between radial plasma transport and formation of an axial ion beam has been investigated in a helicon plasma reactor implemented with a convergent-divergent magnetic nozzle. The plasma discharge is sustained under a high magnetic field mode and a low magnetic field mode for which the electron energy probability function, the plasma density, the plasma potential, and the electron temperature are measured at the magnetic throat, and the two field modes show different radial parametric behaviors. Although an axial potential drop occurs in the plasma source for both field modes, an ion beam is only observed in the high field mode while not in the low field mode. The transport of energetic ions is characterized downstream of the plasma source using the delimited ion current and nonlocal ion current. A decay of ion beam strength is also observed in the diffusion chamber.

  1. General solution of collector performance with axial conduction and end effects

    Science.gov (United States)

    Shouman, A. R.; Tag, I. A.

    The Phillips solution of the flat-plate solar collector is extended and utilized to examine the influence of the end losses on collector performance. The results of this study show that the influence of the end temperatures of the absorber plate is more significant than the losses due to the axial conductivity of an insulated end collector plate. It will be shown that for an insulated end collector, the loss in the heat removal factor due to axial conductivity is negligible in the region of interest for flat-plate collectors. However, the end temperatures of the collector plate have more significant influence on the same factor, showing losses in some regions and improvements in other regions. This study emphasizes the necessity of measuring the temperature of the absorber plate at both the fluid inlet and exit locations in order to determine accurately the collector performance parameters.

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

    OpenAIRE

    Krebs, H; Epelbaum, E.; Meißner, U.-G

    2016-01-01

    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 singl...

  3. Temperature effect on buckling properties of ultra-thin-walled lenticular collapsible composite tube subjected to axial compression

    Institute of Scientific and Technical Information of China (English)

    Bai Jiangbo; Xiong Junjiang

    2014-01-01

    This paper seeks to outline the temperature effect on the buckling properties of ultra-thin-walled lenticular collapsible composite tube (LCCT) subjected to axial compression. The buckling tests of the LCCT specimens subjected to axial compression were carried out on INSTRON-500N servo-hydraulic machine in dry state and at the temperatures of 25 ?C, 100 ?C and ?80 ?C. The load-displacement curves and buckling initiation loads were measured and the buckling initiation mechanism was discussed from experimental observations. Experiments show that the buckling initiation load, on average, is only about 2.2% greater at the low temperature of ?80 ?C than at the room temperature of 25 ?C due to the material hardening, demonstrating an insignificant increase in the buckling initiation load, whereas it is about 19.5%lower at the high temperature of 100 ?C than at the room temperature owing to the material softening, implying a significant decrease in the buckling initiation load. The failure mode of the LCCT in axial compres-sion tests at three different temperatures can be reckoned to be characteristic of the buckling initi-ation and propagation around the central region until rupture. The finite element (FE) model is presented to simulate the buckling initiation mechanism based on the eigenvalue-based methodol-ogy. Good correlation between experimental and numerical results is achieved.

  4. Octet-baryon axial-vector charges and SU(3)-breaking effects in the semileptonic hyperon decays

    CERN Document Server

    Ledwig, T; Geng, L S; Vacas, M J Vicente

    2014-01-01

    The octet-baryon axial-vector charges and the g1/f1 ratios measured in the semileptonic hyperon decays are studied up to O(p^3) using the covariant baryon chiral perturbation theory with explicit decuplet contributions. We clarify the role of different low-energy constants and find a good convergence for the chiral expansion of the axial-vector charges of the baryon octet, g1(0), with O(p^3) corrections typically around 20% of the leading ones. This is a consequence of strong cancellations between different next-to-leading order terms. We show that considering only non-analytic terms is not enough and that analytic terms appearing at the same chiral order play an important role in this description. The same effects still hold for the chiral extrapolation of the axial-vector charges and result in a rather mild quark-mass dependence. As a result, we report a determination of the leading order chiral couplings, D=0.623(61)(17) and F=0.441(47)(2), as obtained from a completely consistent chiral analysis up to O(p...

  5. Effects of peripheral benzodiazepine receptor ligands on proliferation and differentiation of human mesenchymal stem cells.

    Science.gov (United States)

    Lee, D H; Kang, S K; Lee, R H; Ryu, J M; Park, H Y; Choi, H S; Bae, Y C; Suh, K T; Kim, Y K; Jung, Jin Sup

    2004-01-01

    The peripheral benzodiazepine receptor (PBR) has been known to have many functions such as a role in cell proliferation, cell differentiation, steroidogenesis, calcium flow, cellular respiration, cellular immunity, malignancy, and apoptosis. However, the presence of PBR has not been examined in mesenchymal stem cells. In this study, we demonstrated the expression of PBR in human bone marrow stromal cells (hBMSCs) and human adipose stromal cells (hATSCs) by RT-PCR and immunocytochemistry. To determine the roles of PBR in cellular functions of human mesenchymal stem cells (hMSCs), effects of diazepam, PK11195, and Ro5-4864 were examined. Adipose differentiation of hMSCs was decreased by high concentration of PBR ligands (50 microM), whereas it was increased by low concentrations of PBR ligands (<10 microM). PBR ligands showed a biphasic effect on glycerol-3-phosphate dehydrogenase (GPDH) activity. High concentration of PBR ligands (from 25 to 75 microM) inhibited proliferation of hMSCs. However, clonazepam, which does not have an affinity to PBR, did not affect adipose differentiation and proliferation of hMSCs. The PBR ligands did not induce cell death in hMSCs. PK11195 (50 microM) and Ro5-5864 (50 microM) induced cell cycle arrest in the G(2)/M phase. These results indicate that PBR ligands play roles in adipose differentiation and proliferation of hMSCs.

  6. Comparison Between Mitigation Effects of the Finite Larmor Radius and Sheared Axial Flow on Rayleigh-Taylor Instability in Z-Pinch implosions

    Institute of Scientific and Technical Information of China (English)

    邱孝明; 黄林; 简广德

    2002-01-01

    A magnetohydrodynamic (MHD) formulation is derived to investigate and compare the mitigation effects of both the sheared axial flow and finite Larmor radius (FLR) on the Rayleigh-Taylor (RT) instability in Z-pinch implosions. The sheared axial flow is introduced into MHD equations in a conventional way and the FLR effect into the equations via а/аt → -i(ω + ik2⊥ρi2Ωi), as proposed in our previous paper [Chin. Phys. Lett. 2002, 19:217] , where k2⊥ρ2i is referred to FLR effect from the general kinetic theory of magnetized plasma. Therefore the linearized continuity and momentum equations for the perturbed massdensity and velocity include both the sheared axial flow and the FLR effect. It is found that the effect of sheared axial flow with a lower peak velocity can mitigate RT instability in the whole wavenumber region and the effect of sheared axial flow with a higher one can mitigate RT instability only in the large wavenumber region (for normalized wavenumber κ> 2.4); The effect of FLR can mitigate RT instability in the whole wavenumber region and the mitigation effect is stronger than that of the sheared axial flow with a lower peak velocity in the almost whole wavenumber region.

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

    CERN Document Server

    Krebs, H; Meißner, U -G

    2016-01-01

    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.

  8. Phospholipid electrospun nanofibers: effect of solvents and co-axial processing on morphology and fiber diameter

    DEFF Research Database (Denmark)

    Jørgensen, Lars; Qvortrup, Klaus; Chronakis, Ioannis S.

    2015-01-01

    Asolectin phospholipid nano-microfibers were prepared using electrospinning processing. The asolectin fibers were studied by scanning electron microscopy, and the fiber morphology was found to be strongly dependent on the phospholipid concentration and the solvents used. The solvents studied were...... does not follow the theoretically predicted value of similar to 0.35 mu m because of the intermolecular aggregation between the reverse micelles formed in the highly concentrated asolectin solutions. However, when co-axial solvent electrospinning was applied, where the outer needle contains a pure...

  9. Effects of inlet circumferential fluctuation on the sweep aerodynamic performance of axial fans/compressors

    Science.gov (United States)

    Gui, Xingmin; Zhu, Fang; Wan, Ke; Jin, Donghai

    2013-10-01

    Swept blades have been widely used in the transonic fan/compressor of aircraft engines with the aids of 3D CFD simulation since the design concept of controlling the shock structure was firstly proposed and successfully tested by Dr. Wennerstrom in the 1980s. However, some disadvantage phenomenon has also been induced by excessively 3D blade geometries on the structure stress insufficiency, vibration and reliability. Much confusion in the procedure of design practice leading us to recognize a new view on the flow mechanism of sweep aerodynamical induction: the new radial equilibrium established by the influence of inlet circumferential fluctuation (CF) changes the inlet flows of blading and induces the performance modification of axial fans/compressors blade. The view is verified by simplified models through numerical simulation and circumferentially averaged analysis in the present paper. The results show that the CF source items which originate from design parameters, such as the spanwise distributions of the loading and blading geometries, contribute to the changing of averaged incidence spanwise distribution, and further more affect the performance of axial fans/compressors with swept blades.

  10. Effect of axial ligands on the spectroelectrochemical properties of zinc phthalocyanine films. In situ Raman and electroreflection spectra

    NARCIS (Netherlands)

    Palys, B.J.; Ham, van den D.M.W.; Otto, C.

    1994-01-01

    Electroreflection and Raman spectra (in situ and ex situ) of zinc phthalocyanine (ZnPc) films (80 nm thick) have been studied. Raman spectra were resonantly and preresonantly enhanced. Both electroreflection and Raman experiments reveal the homogeneous inclusion of electrolyte anions upon oxidation

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

    Institute of Scientific and Technical Information of China (English)

    Liu Yu-Min; Yu Zhong-Yuan

    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 Schrodinger 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Seong, Seung-Hwan; Choi, Chi-Woong; Jeong, Tae-Kyung; Ha, Gi-Seok [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    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.

  13. Effects of urea and acetic acid on the heme axial ligation structure of ferric myoglobin at very acidic pH.

    Science.gov (United States)

    Droghetti, Enrica; Sumithran, Suganya; Sono, Masanori; Antalík, Marián; Fedurco, Milan; Dawson, John H; Smulevich, Giulietta

    2009-09-01

    The heme iron coordination of ferric myoglobin (Mb) in the presence of 9.0M urea and 8.0M acetic acid at acidic pH values has been probed by electronic absorption, magnetic circular dichroism and resonance Raman spectroscopic techniques. Unlike Mb at pH 2.0, where heme is not released from the protein despite the acid denaturation and the loss of the axial ligand, upon increasing the concentration of either urea or acetic acid, a spin state change is observed, and a novel, non-native six-coordinated high-spin species prevails, where heme is released from the protein.

  14. Effect of Organic Ligands on Biological Availability of Inorganic Phosphorus in Soils

    Institute of Scientific and Technical Information of China (English)

    FENG Ke; LU Hai-Ming; SHENG Hai-Jun; WANG Xiao-Li; MAO Jian

    2004-01-01

    Citrate, oxalate, tartrate and malate were added into soils during the growth period of ryegrass to study the effect of different organic ligands on the release various inorganic P (Pi) fractions in a yellow-brown soil and a paddy soil. The results showed that oxalate was most effective in promoting the release of total Pi in the yellow-brown soil and tartrate in the paddy soil. The dominant Pi fractions released from the yellow-brown soil were calcium phosphate (Ca-P) and aluminum phosphate (Al-P) and those from the paddy soil were iron phosphate (Fe-P) and reductant soluble phosphate (O-P) mobilized by tartrate. Phosphorous-mobilizing capability of organic acids in the yellow-brown soil revealed the following order: oxalate > citrate > malate > tartrate. In the paddy soil, the order was tartrate > citrate ≈ oxalate > malate. It was demonstrated that organic ligands were different in their capabilities of mobilizing Pi and the same organic ligand showed also a discrepancy in mobilizing P in different soils. Although the addition of organic ligands into soils could increase the amount of P taken up by ryegrass, the more uptake of P, however, was not only due to the more release of Pi, but also partly from organic P. In many cases, organic ligands promoted the release of the total of the total Pi, while different fractions showed different trends: some increased and others decreased.

  15. Effect of blade surface roughness on performance of axial flow fans with different blade cambers

    Science.gov (United States)

    Kaneko, K.; Setoguchi, T.; Nakano, T.; Inoue, M.

    1985-07-01

    Three kinds of axial fan rotor blades with different cambers were designed, and performance tests with various blade surface roughnesses were conducted. The total pressure coefficient, the fan efficiency, and the torque coefficient decrease with increasing surface roughness. The selection of the design camber has a significant influence on the deterioration of fan performance with surface roughness. For a smooth surface, a high-cambered blade indicates a more favorable performance than a low-cambered rotor blade, but such a blade is very sensitive to surface roughness and exhibits a remarkable deterioration in performance with increased roughness. For a low-cambered rotor blade, the torque coefficient changes little with increasing roughness. The empirical relation between turning angle variation of a two-dimensional cascade and surface roughness agrees well with these results only for a rotor blade designed for the optimum angle of attack.

  16. 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.

  17. Effect of Partial Span Aspiration on the Performance of a Transonic Axial Compressor Rotor: A Numerical Study

    Directory of Open Access Journals (Sweden)

    Vijaykumar Jain

    2015-01-01

    Full Text Available Aspiration in an axial compressor is normally regarded as sucking out the low momentum boundary layer from blade suction surface, thus lowering the chances of flow separation and consequently that of stall under off-design operation. However, the suction mass flow does not take part in useful work and leads to loss of engine power output. This paper deals with a new concept of natural aspiration to energize blade suction surface boundary layer by injecting some fluid from pressure to suction side through a part span slot on the blade. The energized boundary layer has lesser tendency to separate, thus enhancing stall margin. Numerical simulations were carried out to study the effect of aspiration slot location and geometry on the performance and stall margin of a transonic axial compressor rotor. The computational results without aspiration slot were in fair agreement with the published experimental data. The modified rotor, with part span aspiration, showed ~3.2% improvement in stall margin at design rotational speed. The pressure ratio and efficiency of the aspirated rotor dropped by ~1.42% and ~2.0%, respectively, whereas the structural analysis did not indicate any adverse effect on the blade stress distribution in the presence of aspiration slot.

  18. 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.

  19. Ligand effects on the structures and magnetic properties of tricyanomethanide-containing copper(II) complexes.

    Science.gov (United States)

    Yuste, Consuelo; Bentama, Abdeslem; Stiriba, Salah-Eddine; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel

    2007-11-28

    The preparation, crystal structure and magnetic properties of four heteroleptic copper(II) complexes with the tricyanomethanide (tcm(-)) and the heterocyclic nitrogen donors 3,6-bis(2-pyridyl)pyridazine (dppn), 2,5-bis(2-pyridyl)pyrazine (2,5-dpp), 2,3-bis(2-pyridyl)pyrazine (2,3-dpp) and 2,3-bis(2-pyridyl)quinoxaline (2,3-dpq) are reported, {[Cu(2)(dppn)(OH)(tcm)(2)] x tcm}(n) (1), {[Cu(2,5-dpp)(tcm)] x tcm}(n) (2), {[Cu(2)(2,3-dpp)(2)(tcm)(3)(H(2)O)(0.5)] x tcm x 0.5H(2)O}(n) (3) and [Cu(2,3-dpq)(tcm)(2)](n) (4). 1 has a ladder-like structure with single mu-1,5-tcm ligands forming the sides and a bis-bidentate dppn and a single mu-hydroxo providing the rung. Each copper atom in 1 exhibits a distorted square pyramidal CuN(4)O surrounding: the basal plane is built by the hydroxo-oxygen, a nitrile-nitrogen atom from a tcm group and one pyrazine and a pyridyl nitrogen atoms from the dppn whereas the apical position is filled by a nitrile-nitrogen atom from a symmetry-related tcm ligand. The structures of 2-4 consists of zig-zag (2 and 3)/linear (4) chains of copper(II) ions which are bridged by either bis-bidentate 2,5-dpp (2) and 2,3-dpp (3) molecules or single mu-1,5-tcm (4) groups. The copper atoms in 2 and 4 are five coordinated with distorted trigonal bipyramidal (2) and square pyramidal (4) CuN(5) surroundings. The axial positions in 2 are occupied by two pyridyl-nitrogen atoms from two 2,5-dpp ligands whereas the trigonal plane is built by a nitrile-nitrogen from a terminally bound tcm group and two pyrazine nitrogen atoms from two 2,5-dpp molecules. The basal plane in 4 is defined by a pyridyl and a pyrazine nitrogen atoms from the bidentate 2,3-dpq ligand and two nitrile nitrogen atoms from two tcm groups (one terminal and the other bridging) whereas the apical position is filled by a nitrile nitrogen from another tcm ligand. The crystallographically independent copper atoms in 3 [Cu(1) and Cu(2)] exhibit elongated octahedral geometries being defined by four

  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. IDENTIFICATION OF SPECIFIC PEPTIDE LIGANDS FOR B-LYMPHOMA CELL AND ITS EFFECT ON TYROSINE PHOSPHORYLATION AND CELL APOPTOSIS

    Institute of Scientific and Technical Information of China (English)

    宋良文; 马宪梅; 崔雪梅; 李扬; 王晓民

    2004-01-01

    Objective To search novel method for diagnosis and therapy of B-lymphoma, specific small molecular peptide ligands against binding site of tumor cells were screened and its effects on signal transduction and cell apoptosis were tested. Methods Specific peptide ligands were screened by binding with site of human B lymphoma cell (OC1LY8) using peptide-bead libraries. The identified peptides were characterized with responsible cells by rebinding test. The role of tyrosine phosphorylation of peptide ligand was tested by Western blot;and its apoptosispromoting role was observed by confocal fluorescent microscope. Results Specific peptide ligand was able to bind specifically to site on cell surface and enter into cytoplasm. Tetrameric peptide ligand was able to strongly trigger signal transduction resulting in tyrosine phosphorylation and cellular apoptosis in OC1LY8 cell line.Conclusion Screened peptide ligand can effectively bind with OC1LY8 cell, stimulate cellular tyrosine phosphorylation and induce cellular apoptosis.

  2. FEA modeling of effect of axial feeding velocity on strain field of rotary swaging process of pure magnesium

    Institute of Scientific and Technical Information of China (English)

    RONG Li; NIE Zuo-ren; ZUO Tie-yong

    2006-01-01

    A coupled thermal-mechanical model of the rotary swaging of pure magnesium was developed using the general finite-element software program MSC/Marc to visualize the effect of axial feeding velocity on the rotary swaging process. The radial displacement occurring in one pulse impact increases in proportion to axial feeding velocity (vax). When the other processing parameters are fixed, the surface roughness of the swaged bar increases with vax and is in parabolic relation with vax. There exists a minimum velocity vax, min below which the decrease of vax will no longer improve the surface roughness. Under the technological conditions of this simulation, when the finial diameter d=6.6 mm, vax, min=1.82 m/min, and when d=7.0 mm, vax, min=1.83 m/min. If Ra=3.2 is required for the end product, then vax, max=6.02 m/min is gotten for d=6.6 mm and vax, max=7.05 m/min for d=7.0mm. The increase of vax has no notable influence on strain distribution along radial direction. The errors between the experimental and simulated height of the spiral spine-like ridges are below 8.0%.

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

    Energy Technology Data Exchange (ETDEWEB)

    Said Abdel-Khalik

    2005-07-02

    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.

  4. Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces

    DEFF Research Database (Denmark)

    Kitchin, J.R.; Nørskov, Jens Kehlet; Barteau, M.A.;

    2004-01-01

    Periodic density functional calculations are used to illustrate how the combination of strain and ligand effects modify the electronic and surface chemical properties of Ni, Pd, and Pt monolayers supported on other transition metals. Strain and the ligand effects are shown to change the width...

  5. Effects of near-zero Dirac eigenmodes on axial U(1) symmetry at finite temperature

    CERN Document Server

    Tomiya, Akio; Fukaya, Hidenori; Hashimoto, Shoji; Noaki, Junichi

    2014-01-01

    We study the axial U(1)A symmetry of Nf = 2 QCD at finite temperature using the Dirac eigenvalue spectrum. The gauge configurations are generated employing the Mobius domain-wall fermion action on 16^3x8 and 32^3x8 lattices. The physical spatial size of these lattices is around 2 fm and 4 fm, respectively, and the simulated temperature is around 200 MeV, which is slightly above the critical temperature of the chiral phase transition. Although the Mobius domain-wall Dirac operator is expected to have a good chiral symmetry and our data actually show small values of the residual mass, we observe significant violation of the Ginsparg-Wilson relation for the low- lying eigenmodes of the Mobius domain-wall Dirac operator. Using the reweighting technique, we compute the overlap-Dirac operator spectrum on the same set of configurations and find a significant difference of the spectrum between the two Dirac operators for the low-lying eigenvalues. The overlap-Dirac spectrum shows a gap from zero, which is insensitive...

  6. 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)

  7. Thermal effect on the dynamic response of axially functionally graded beam subjected to a moving harmonic load

    Science.gov (United States)

    Wang, Yuewu; Wu, Dafang

    2016-10-01

    Dynamic response of an axially functionally graded (AFG) beam under thermal environment subjected to a moving harmonic load is investigated within the frameworks of classical beam theory (CBT) and Timoshenko beam theory (TBT). The Lagrange method is employed to derive the equations of thermal buckling for AFG beam, and then with the critical buckling temperature as a parameter the Newmark-β method is adopted to evaluate the dynamic response of AFG beam under thermal environments. Admissible functions denoting transverse displacement are expressed in simple algebraic polynomial forms. Temperature-dependency of material constituent is considered. The rule of mixture (Voigt model) and Mori-Tanaka (MT) scheme are used to evaluate the beam's effective material properties. A ceramic-metal AFG beam with immovable boundary condition is considered as numerical illustration to show the thermal effects on the dynamic behaviors of the beam subjected to a moving harmonic load.

  8. Rotor tip clearance effects on overall and blade-element performance of axial-flow transonic fan stage

    Science.gov (United States)

    Moore, R. D.

    1982-01-01

    The effects of tip clearance on the overall and blade-element performance of an axial-flow transonic fan stage are presented. The 50-centimeter-diameter fan was tested at four tip clearances (nonrotating) from 0.061 to 0.178 centimeter. The calculated radial growth of the blades was 0.040 centimeter at design conditions. The decrease in overall stage performance with increasing clearance is attributed to the loss in rotor performance. For the rotor the effects of clearance on performance parameters extended to about 70 percent of blade span from the tip. The stage still margin based on an assumed operating line decreased from 15.3 to 0 percent as the clearance increased from 0.061 to 0.178 centimeter.

  9. 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

  10. Kondo effect in organometallic complexes with vibrating ligand shells

    Energy Technology Data Exchange (ETDEWEB)

    Kiselev, M.N. [Institut fuer Theoretische Physik und Astrophysik, Universitaet Wuerzburg, 97074 (Germany)]. E-mail: kiselev@physik.uni-wuerzburg.de; Kikoin, K. [Physics Department, Ben-Gurion University, Beer-Sheva 84105 (Israel); Wegewijs, M.R. [Institut fuer Theoretische Physik-Lehrstuhl A, RWTH Aachen, 52056 Aachen (Germany)

    2007-03-15

    We investigate transport through a mononuclear rare-earth metal-organic shell complex with strong tunnel coupling between the shell and two electrodes. The ground state of this molecule is a singlet while the first excited state is a triplet. We show that modulation of the tunnel barrier due to a molecular distortion which couples to the tunneling induces the Kondo effect, provided the discrete vibrational energy compensates the singlet/triplet gap. We discuss also the possibility of tuning the phonon-induced Kondo tunneling by external magnetic field and the finite bias Kondo anomaly.

  11. An experimental study on the effects of tip clearance on flow field and losses in an axial flow compressor rotor

    Science.gov (United States)

    Lakshminarayana, B.; Zhang, J.; Murthy, K. N. S.

    1987-01-01

    Detailed measurement of the flow field in the tip region of a compressor rotor was carried out using a Laser Doppler Velocimeter (LDV) and a Kiel probe at two different tip clearance heights. At both clearance sizes, the relative stagnation pressure and the axial and tangential components of relative velocities were measured upstream, inside the passage and downstream of the rotor, up to about 20 percent of the blade span from the annulus wall. The velocities, outlet angles, losses, momentum thickness, and force defect thickness are compared for the two clearances. A detailed interpretation of the effect of tip clearance on the flow field is given. There are substantial differences in flow field, on momentum thickness, and performance as the clearance is varied. The losses increase linearly within the passage and their values increase in direct proportion to tip clearance height. No discernable vortex (discrete) is observed downstream of the rotor.

  12. 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.

  13. Effect of Two Interacting Localized Defects on the Critical Load for Thin Cylindrical Shells Under Axial Compression

    Directory of Open Access Journals (Sweden)

    Abdellatif Khamlichi

    2010-01-01

    Full Text Available Problem statement: Many modern structures are made from thin shells. Design of these elements depends to a large extent on their buckling behavior which is hugely affected by the initial geometric imperfections. Approach: For axially compressed isotropic circular cylindrical shells, axisymmetric localized geometric imperfections were found to reduce severely the buckling strength. Among various axisymmetric shapes of localized defects that were investigated, the entering triangular form was recognized to yield the most adverse case. Since multiple localized defects may be present in the same shell structure and interact, studying their mutual effect on the buckling load is of great importance for shell design. Results: In this study, the effect of two interacting entering triangular localized axisymmetric initial geometric imperfections on shell buckling strength under uniform axial compression was modeled by means of the finite element method. A special software package which was dedicated to buckling analysis of quasi axisymmetric shells was used in order to compute the buckling load either via the linear Euler buckling analysis or through the full non linear iterative procedure. A set of five factors including shell aspect ratios, defect characteristics and the distance separating the localized initial geometric imperfections had been found to govern the buckling problem. A statistical approach based on the Taguchi method was used then to study their relative influence on the buckling load reduction. It was shown by comparison with the single imperfection case that further diminution of the critical load was obtained. Conclusion/Recommendations: In the range of investigated parameters, the distance separating the localized geometric imperfections and imperfection wavelength were found to yield major influences on the critical load. Further studies must be performed in order to assess shell buckling strength in the presence of more than two

  14. Light axial vector mesons

    CERN Document Server

    Chen, Kan; Liu, Xiang; Matsuki, Takayuki

    2015-01-01

    Inspired by the abundant experimental observation of axial vector states, we study whether the observed axial vector states can be categorized into the conventional axial vector meson family. In this paper we carry out analysis based on the mass spectra and two-body Okubo-Zweig-Iizuka-allowed decays. Besides testing the possible axial vector meson assignments, we also predict abundant information for their decays and the properties of some missing axial vector mesons, which are valuable to further experimental exploration of the observed and predicted axial vector mesons.

  15. 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 (Pcement 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.

  16. Modeling of Axially Loaded Nanowires Embedded in Elastic Substrate Media with Inclusion of Nonlocal and Surface Effects

    Directory of Open Access Journals (Sweden)

    Suchart Limkatanyu

    2013-01-01

    Full Text Available Nonlocal and surface effects are incorporated into a bar-elastic substrate element to account for small-scale and size-dependent effects on axial responses of nanowires embedded in elastic substrate media. The virtual displacement principle, employed to consistently derive the governing differential equation as well as the boundary conditions, forms the core of the displacement-based finite element formulation of the nanowire-elastic substrate element. The element displacement shape functions, analytically derived based on homogeneous solution to the governing differential equilibrium equation of the problem, result in the exact element stiffness matrix and equivalent load vector. Two numerical simulations employing the proposed model are performed to study characteristics and behavior of the nanowire-substrate system. The first simulation involves investigation of responses of the wire embedded in elastic substrate. The second examines influences of several system parameters on the contact stiffness and reveals the size-dependent effect on the effective Young's modulus of the system.

  17. Effect of air gap variation on the performance of single stator single rotor axial flux permanent magnet generator

    Science.gov (United States)

    Kasim, Muhammad; Irasari, Pudji; Hikmawan, M. Fathul; Widiyanto, Puji; Wirtayasa, Ketut

    2017-02-01

    The axial flux permanent magnet generator (AFPMG) has been widely used especially for electricity generation. The effect of the air gap variation on the characteristic and performances of single rotor - single stator AFPMG has been described in this paper. Effect of air gap length on the magnetic flux distribution, starting torque and MMF has been investigated. The two dimensional finite element magnetic method has been deployed to model and simulated the characteristics of the machine which is based on the Maxwell equation. The analysis has been done for two different air gap lengths which were 2 mm and 4 mm using 2D FEMM 4.2 software at no load condition. The increasing of air gap length reduces the air-gap flux density. For air gap 2 mm, the maximum value of the flux density was 1.04 T while 0.73 T occured for air gap 4 mm.. Based on the experiment result, the increasing air gap also reduced the starting torque of the machine with 39.2 Nm for air gap 2 mm and this value decreased into 34.2 Nm when the air gap increased to 4 mm. Meanwhile, the MMF that was generated by AFPMG decreased around 22% at 50 Hz due to the reduction of magnetic flux induced on stator windings. Overall, the research result showed that the variation of air gap has significant effect on the machine characteristics.

  18. Chelate effects in sulfate binding by amide/urea-based ligands.

    Science.gov (United States)

    Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W; Bowman-James, Kristin

    2015-07-01

    The influence of chelate and mini-chelate effects on sulfate binding was explored for six amide-, amide/amine-, urea-, and urea/amine-based ligands. Two of the urea-based hosts were selective for SO4(2-) in water-mixed DMSO-d6 systems. Results indicated that the mini-chelate effect provided by a single urea group with two NH binding sites appears to provide enhanced binding over two amide groups. Furthermore, additional urea binding sites incorporated into the host framework appeared to overcome to some extent competing hydration effects with increasing water content.

  19. Lanthanide dinuclear complexes constructed from mixed oxygen-donor ligands: the effect of substituent positions of the neutral ligand on the magnetic dynamics in Dy analogues.

    Science.gov (United States)

    Zhu, Wen-Hua; Li, Shan; Gao, Chen; Xiong, Xia; Zhang, Yan; Liu, Li; Powell, Annie K; Gao, Song

    2016-03-21

    Two series of lanthanide dinuclear complexes with the general formulae, [Ln(n-PNO)(Bza)3(H2O)] {Bza = benzoic acid; n = 3, n-PNO = 3-picoline N-oxide, Dy(1) and Er(2); and n = 4, n-PNO = 4-picoline N-oxide, Nd(3), Eu(4), Gd(5), Tb(6), Dy(7), Er(8) and Y(9)} have been successfully synthesized by the hydrothermal method. Single-crystal X-ray diffraction experiments illustrate that the two series of compounds possess similar carboxylic ligand-bridged dinuclear structure and coordination geometry around the lanthanide ions despite the different methyl-substituent positions on the neutral ligand. Comparative studies of the Dy analogues in the static-field measurements reveal only a little difference with a small butterfly-shaped opening for complex 1 and a close hysteresis loop for 7 at 2.0 K. However, systematic investigations of the alternating-current (ac) measurements indicate that the different substituent positions of the picoline N-oxide ligand have a significant effect on the magnetic relaxation dynamics. A more substantial suppression of the quantum tunnelling of magnetization (QTM) effect and pronounced slow magnetic relaxation were observed in complex 7 as compared to 1 under both zero and a 1 kOe static field.

  20. Molecular-Level Study of the Effect of Prior Axial Compression/Torsion on the Axial-Tensile Strength of PPTA Fibers

    Science.gov (United States)

    2013-07-16

    strength and appre- ciable changes in the associated probability density function. Keywords effect of compression and torsion, Kevlar , PPTA, tensile...properties 1. Introduction The work described in the present manuscript concerns p- phenylene terephthalamide (PPTA) polymeric fibers such as Kevlar ...Engineering Innovation Building, Clemson, SC 29634-0921; and C.-F. Yen and B.A. Cheeseman, Army Research Laboratory—Weapons & Materials Research Directorate

  1. 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.

  2. Study on the Effects of End-bend Cantilevered Stator in a 2-stage Axial Compressor

    Institute of Scientific and Technical Information of China (English)

    Songtao WANG; Xin DU; Zhongqi WANG

    2009-01-01

    Leading edge recambering is applied to the cantilevered stator vanes in a 2-stage compressor in this paper. Dif-ferent curving effects are produced when the end-bend stator vanes are stacked in different ways. Stacking on the leading edge induces a positive curving effect near the casing.When it is stacked on the centre of gravity, a nega-tive curving effect takes place. The numerical investigation shows that the flow field is redistributed when the end-bend stators with leading edge stacking are applied. The variations in the stage matching for the mainstream and near the hub have an impact on the performance of the 2-stage compressor. The isentropic efficiency and the total pressure ratio of the compressor are increased near the design condition. The compressor total pressure ratio is decreased near choke and near stall. The maximum flow rate is reduced and the stall margin is decreased.

  3. Cardioprotective effect of the PPAR ligand tetradecylthioacetic acid in type 2 diabetic mice.

    Science.gov (United States)

    Khalid, Ahmed M; Hafstad, Anne Dragøy; Larsen, Terje S; Severson, David L; Boardman, Neoma; Hagve, Martin; Berge, Rolf K; Aasum, Ellen

    2011-06-01

    Tetradecylthioacetic acid (TTA) is a novel peroxisome proliferator-activated receptor (PPAR) ligand with marked hypolipidemic and insulin-sensitizing effects in obese models. TTA has recently been shown to attenuate dyslipidemia in patients with type 2 diabetes, corroborating the potential for TTA in antidiabetic therapy. In a recent study on normal mice, we showed that TTA increased myocardial fatty acid (FA) oxidation, which was associated with decreased cardiac efficiency and impaired postischemic functional recovery. The aim of the present study was, therefore, to elucidate the effects of TTA treatment (0.5%, 8 days) on cardiac metabolism and function in a hyperlipidemic type 2 diabetic model. We found that TTA treatment increased myocardial FA oxidation, not only in nondiabetic (db/+) mice but also in diabetic (db/db) mice, despite a clear lipid-lowering effect. Although TTA had deleterious effects in hearts from nondiabetic mice (decreased efficiency and impaired mitochondrial respiratory capacity), these effects were not observed in db/db hearts. In db/db hearts, TTA improved ischemic tolerance, an effect that is most likely related to the antioxidant property of TTA. The present study strongly advocates the need for investigation of the cardiac effects of PPAR ligands used in antidiabetic/hypolipidemic therapy, because of their pleiotropic properties.

  4. Electronic spectra and photophysics of platinum(II) complexes with alpha-diimine ligands - Solid-state effects. I - Monomers and ligand pi dimers

    Science.gov (United States)

    Miskowski, Vincent M.; Houlding, Virginia H.

    1989-01-01

    Two types of emission behavior for Pt(II) complexes containing alpha-diimine ligands have been observed in dilute solution. If the complex also has weak field ligands such as chloride, ligand field (d-d) excited states become the lowest energy excited states. If only strong field ligands are present, a diimine 3(pi-pi/asterisk/) state becomes the lowest. In none of the cases studied did metal-to-ligand charge transfer excited state lie lowest.

  5. Effects of Tip Clearance and Casing Recess on Heat Transfer and Stage Efficiency in Axial Turbines

    Science.gov (United States)

    Ameri, A. A.; Steinthorsson, E.; Rigby, David L.

    1998-01-01

    Calculations were performed to assess the effect of the tip leakage flow on the rate of heat transfer to blade, blade tip and casing. The effect on exit angle and efficiency was also examined. Passage geometries with and without casing recess were considered. The geometry and the flow conditions of the GE-E 3 first stage turbine, which represents a modem gas turbine blade were used for the analysis. Clearance heights of 0%, 1%, 1.5% and 3% of the passage height were considered. For the two largest clearance heights considered, different recess depths were studied. There was an increase in the thermal load on all the heat transfer surfaces considered due to enlargement of the clearance gap. Introduction of recessed casing resulted in a drop in the rate of heat transfer on the pressure side but the picture on the suction side was found to be more complex for the smaller tip clearance height considered. For the larger tip clearance height the effect of casing recess was an orderly reduction in the suction side heat transfer as the casing recess height was increased. There was a marked reduction of heat load and peak values on the blade tip upon introduction of casing recess, however only a small reduction was observed on the casing itself. It was reconfirmed that there is a linear relationship between the efficiency and the tip gap height. It was also observed that the recess casing has a small effect on the efficiency but can have a moderating effect on the flow underturning at smaller tip clearances.

  6. 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.

  7. Study of Sweep and Induced Dihedral Effects in Subsonic Axial Flow Compressor Passages—Part I: Design Considerations—Changes in Incidence, Deflection, and Streamline Curvature

    Directory of Open Access Journals (Sweden)

    P. V. Ramakrishna

    2009-01-01

    Full Text Available This article presents the study of Tip Chordline Sweeping (TCS and Axial Sweeping (AXS of low-speed axial compressor rotor blades against the performance of baseline unswept rotor (UNS for different tip clearance levels. The first part of the paper discusses the changes in design parameters when the blades are swept, while the second part throws light on the effect of sweep on tip leakage flow-related phenomena. 15 domains are studied with 5 sweep configurations (0∘, 20∘ TCS, 30∘ TCS, 20∘ AXS, and 30∘ AXS and for 3 tip clearances (0.0%, 0.7%, and 2.7% of the blade chord. A commercial CFD package is employed for the flow simulations and analysis. Results are well validated with experimental data. Forward sweep reduced the flow incidences. This is true all over the span with axial sweeping while little higher incidences below the mid span are observed with tip chordline sweeping. Sweeping is observed to lessen the flow turning. AXS rotors demonstrated more efficient energy transfer among the rotors. Tip chordline sweep deflected the flow towards the hub while effective positive dihedral induced with axial sweeping resulted in outward deflection of flow streamlines. These deflections are more at lower mass flow rates.

  8. 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....... Comparison with a simple theory for drainage of thin films is performed. It is found that recirculations deform the fluid-fluidinterface significantly in situations dominated by buoyancy forces. Also, a deviation from the concentric annular geometry is shown to induce azimuthal transport of fluid. Finally......, the efficiency of the displacement is analysed for various flow situations....

  9. 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.

  10. Effects of axial power shapes on CHF locations in a single tube and in rod bundle assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Han, B.; Yang, B.W.; Zhang, H.; Zha, Y.; Zhang, Y. [Xi' an Jiaotong Univ. (China). School of Nuclear Science and Technology

    2016-07-15

    Currently, the prediction of rod bundle CHF is dependent on CHF correlations derived from CHF data. A simple correction factor, such as F-factor, is often used to account for the axial power shape differences based on a simple accumulated energy concept, which has totally no consideration on the impact of true local condition on CHF mechanism. Subsequently, as expected, large uncertainty is often associated with the CHF value and CHF location predictions. For the purpose of obtaining different power shapes effects on CHF, CFD calculated parameter values were used to predict the possible CHF occurrence location. The possible CHF location prediction method proposed in this paper is calculated void fraction, heat transfer coefficient (HTC), liquid temperature distribution and detailed local parameters. And the uniform and non-uniform CHF were analyzed. The prediction of possible CHF locations in a 5 x 5 rod bundle may provide useful information for the design of a full-length CHF test, enhance the accuracy of CHF and CHF location prediction, and reduce the costs of the experimentation.

  11. Effect of anterior chamber depth on the choice of intraocular lens calculation formula in patients with normal axial length

    Directory of Open Access Journals (Sweden)

    Mohammad Miraftab

    2014-01-01

    Full Text Available Purpose: To compare the accuracy of  Sanders-Retzlaff-Kraff II (SRK II and 3 rd and 4 th generation intraocular lens (IOL formulas and to compare the effect of different anterior chamber depths among the IOL formulas in cataract patients with normal axial length (AL; 22.0-24.5 millimeters, mm. Materials and Methods: A retrospective chart review was performed of patients with normal AL who underwent cataract surgery. The SRK II and 3 rd generation IOL formulas (Hoffer Q, SRK T, Holladay 1 were compared to the 4 th generation Haigis formula. For analysis, preoperative anterior chamber depth (ACD was divided into three subgroups: ≤3, 3-3.5, and ≥ 3.5 mm. The mean error (ME and mean absolute error (MAE of each formula was compared for each subgroup against the total. The difference between the ME and MAE of the formulas were compared for each ACD subgroup. P 0.05, all comparisons. Conclusion: The SRK II formula can predict refraction in patients with normal AL and ACD less than 3 mm with less error and is preferred over other formulas. The Haigis formula is the preferred choice in patients with a normal AL and ACD longer than 3.5 mm. The prediction accuracy of Hoffer Q, SRK T, and Holladay 1 is comparable in normal AL.

  12. Measurements of distributed polarized radio sources from spinning spacecraft - Effect of a tilted axial antenna ISEE-3 application and results

    Science.gov (United States)

    Fainberg, J.; Hoang, S.; Manning, R.

    1985-01-01

    An analysis is presented of the system response of a satellite receiver-antenna system to locate a radio source when the satellite is tilted on its axis. The satellite is spin stabilized but experiences a tilt due to either a mechanical misalignment or a shift in the electrical axis caused by parasitic currents in other spacecraft structures. The shorter the antenna, the more significant the effects. Numerical techniques are developed for obtaining the Stokes parameters and the angular parameters of a uniform conical source sensed by a linear antenna in order to derive the average power response of a synthesized dipole to a point on a distributed polarized source. Relative gains are calculated along the antenna at different angles to the source. The techniques are applied to sample ISEE-3 satellite data for Type III solar radio bursts which were sensed by an axial and an equatorial antenna. The two antennas permit localization of the source and quantification of the polarization and angular extent of the source. The resulting high precision in calculations of all three source parameters commends use of the model in analyses of data from the planned ULYSSES mission.

  13. Time and space correlated investigations of confinement effects due to static axial magnetic fields acting on laser produced carbon plasmas

    Science.gov (United States)

    Favre, Mario; Wyndham, Edmund; Veloso, Felipe; Bhuyan, Heman; Reyes, Sebastian; Ruiz, Hugo Marcelo; Caballero-Bendixsen, Luis Sebastian

    2016-10-01

    We present further detailed studies of the dynamics and plasma properties of a laser produced Carbon plasma expanding in a static axial magnetic field. The laser plasmas are produced in vacuum, 1 .10-6 Torr, using a graphite target, with a Nd:YAG laser, 3.5 ns, 340 mJ at 1.06 μm, focused at 2 .109 W/cm2, and propagate in static magnetic fields of maximum value 0.2 T. 15 ns time and spaced resolved OES is used to investigate plasma composition. 50 ns time resolved plasma imaging is used to visualize the plasma dynamics. A mm size B-dot probe is used, in combination with a Faraday cup, to characterize the interaction between the expanding plasma and the magnetic field. As a result of time and space correlated measurements, unique features of the laser plasma dynamics in the presence of the magnetic field are identified, which highlight the confinement effects of the static magnetic field Funded by project FONDECYT 1141119.

  14. Effects of axially variable diking rates on faulting at slow spreading mid-ocean ridges

    Science.gov (United States)

    Tian, Xiaochuan; Choi, Eunseo

    2017-01-01

    Magma supply for dike injection can be highly variable within a segment of a slow-spreading mid-ocean ridge but the tectonic impact of this variability is not fully understood. Here, we use three-dimensional numerical models to quantify the effects of variable diking rates on the faulting mode at a 20 km-long slow spreading ridge segment. In addition to end-member faulting modes in which long-lived detachment faults or short-lived normal faults form along the whole segment, we newly identify a transitional mode in which a detachment and a short-lived normal fault form simultaneously but in respective domains separated by a transfer fault. Different faulting modes can be better correlated with the average dike intrusion rate, rather than the highest or lowest rate along the segment. Along-axis stress coupling tends to homogenize fault offset along the segment, inhibiting the domination of a particular faulting mode associated with an extreme local diking rate. This homogenizing effect explains why detachment faults can sometimes form even in the regions previously considered as unfavorable. Our results further suggest that a long (>15 km) and continuous detachment, partially overlain by younger faults, can create an oceanic core complex when faults weaken fast and diking rate is low. When faults weaken slow and diking rate is moderate, however, faulting occurs in the transitional mode, producing a detachment over only a part of the segment length.

  15. THERMO-PIEZOELECTRIC EFFECTS ON THE POSTBUCKLING OF AXIALLY-LOADED HYBRID LAMINATED CYLINDRICAL PANELS

    Institute of Scientific and Technical Information of China (English)

    沈惠申

    2004-01-01

    A compressive postbuckling analysis is presented for a laminated cylinderical panel with piezoelectric actuators subjected to the combined action of mechanical, electrical and thermal loads. The temperature field considered is assumed to be a uniform distribution over the panel surface and through the panel thickness and the electric field is assumed to be the transverse component Ez only. The material properties are assumed to be independent of the temperature and the electric field. The governing equations are based on the classicalshell theory with von Ka rman-Donnell-type of kinematic nonlinearity. The nonlinear prebuckling deformations and initial geometric imperfections of the panel are both taken into account. A boundary layer theory of shell buckling, which includes the effects of nonlinearprebuckling deformations, large deflections in the postbuckling range, and initial geometric imperfections of the shell, is extended to the case of hybrid laminated cylindrical panels of finite length. A singular perturbation technique is employed to determine the buckling loads and postbuckling equilibrium paths. The numerical illustrations concern the compressive postbuckling behavior of perfect and imperfect, cross-ply laminated cylindrical thin panels with fully covered or embedded piezoelectric actuators under different sets of thermal and electrical loading conditions. The effects played by temperature rise, applied voltage,stacking sequence, the character of in-plane boundary conditions, as well as initial geometric imperfections are studied.

  16. Functional characterization and analgesic effects of mixed cannabinoid receptor/T-type channel ligands

    Directory of Open Access Journals (Sweden)

    You Haitao

    2011-11-01

    Full Text Available Abstract Background Both T-type calcium channels and cannabinoid receptors modulate signalling in the primary afferent pain pathway. Here, we investigate the analgesics activities of a series of novel cannabinoid receptor ligands with T-type calcium channel blocking activity. Results Novel compounds were characterized in radioligand binding assays and in vitro functional assays at human and rat CB1 and CB2 receptors. The inhibitory effects of these compounds on transient expressed human T-type calcium channels were examined in tsA-201 cells using standard whole-cell voltage clamp techniques, and their analgesic effects in response to various administration routes (intrathecally, intraplantarly, intraperitoneally assessed in the formalin model. A series of compounds were synthesized and evaluated for channel and receptor activity. Compound NMP-7 acted as non-selective CB1/CB2 agonist while NMP4 was found to be a CB1 partial agonist and CB2 inverse agonist. Furthermore, NMP-144 behaved as a selective CB2 inverse agonist. All of these three compounds completely inhibited peak Cav3.2 currents with IC50 values in the low micromolar range. All compounds mediated analgesic effects in the formalin model, but depending on the route of administration, could differentially affect phase 1 and phase 2 of the formalin response. Conclusions Our results reveal that a set of novel cannabinioid receptor ligands potently inhibit T-type calcium channels and show analgesic effects in vivo. Our findings suggest possible novel means of mediating pain relief through mixed T-type/cannabinoid receptor ligands.

  17. Study of Sweep and Induced Dihedral Effects in Subsonic Axial Flow Compressor Passages—Part II: Detailed Study of the Effects on Tip Leakage Phenomena

    Directory of Open Access Journals (Sweden)

    P. V. Ramakrishna

    2010-01-01

    Full Text Available This article presents the detailed study of rotor tip leakage related phenomena in a low speed axial compressor rotor passages for three sweep configurations [Unswept (UNS, Tip Chordline Swept (TCS and Axially Swept (AXS]. Fifteen domains are numerically studied with 5 sweep configurations (0°, 20° TCS, 30° TCS, 20° AXS, and 30° AXS and for 3 tip clearances (0.0%, 0.7% and 2.7% of the blade chord. Results were well validated with experimental data. Observations near the tip reveal that UNS rotor shows high sensitivity than the swept rotors in the blade pressure distribution with change in tip clearance. AXS rotor has high loading capability and less tip clearance effect on blade loading at the near stall mass flow. Downstream shift of the vortex rollup along the chord is observed with increased flow coefficient and increment in the tip gap height. In particular, the effect of flow coefficient is more predominant on this effect. Tip vortex-related flow blockage is less with the swept rotors. Among the rotors, the AXS rotor is found to incur low total pressure losses attributable to tip leakage. Effect of incidence is observed on the flow leakage direction.

  18. 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.

  19. Effects of perforation number of blade on aerodynamic performance of dual-rotor small axial flow fans

    Science.gov (United States)

    Hu, Yongjun; Wang, Yanping; Li, Guoqi; Jin, Yingzi; Setoguchi, Toshiaki; Kim, Heuy Dong

    2015-04-01

    Compared with single rotor small axial flow fans, dual-rotor small axial flow fans is better regarding the static characteristics. But the aerodynamic noise of dual-rotor small axial flow fans is worse than that of single rotor small axial flow fans. In order to improve aerodynamic noise of dual-rotor small axial flow fans, the pre-stage blades with different perforation numbers are designed in this research. The RANS equations and the standard k-ɛ turbulence model as well as the FW-H noise model are used to simulate the flow field within the fan. Then, the aerodynamic performance of the fans with different perforation number is compared and analyzed. The results show that: (1) Compared to the prototype fan, the noise of fans with perforation blades is reduced. Additionally, the noise of the fans decreases with the increase of the number of perforations. (2) The vorticity value in the trailing edge of the pre-stage blades of perforated fans is reduced. It is found that the vorticity value in the trailing edge of the pre-stage blades decreases with the increase of the number of perforations. (3) Compared to the prototype fan, the total pressure rising and efficiency of the fans with perforation blades drop slightly.

  20. Symmetry: modeling the effects of masking noise, axial cueing and salience.

    Science.gov (United States)

    Chen, Chien-Chung; Tyler, Christopher W

    2010-04-06

    Symmetry detection is an interesting probe of pattern processing because it requires the matching of novel patterns without the benefit of prior recognition. However, there is evidence that prior knowledge of the axis location plays an important role in symmetry detection. We investigated how the prior information about the symmetry axis affects symmetry detection under noise-masking conditions. The target stimuli were random-dot displays structured to be symmetric about vertical, horizontal, or diagonal axes and viewed through eight apertures (1.2 degrees diameter) evenly distributed around a 6 degrees diameter circle. The information about axis orientation was manipulated by (1) cueing of axis orientation before the trial and (2) varying axis salience by including or excluding the axis region within the noise apertures. The percentage of correct detection of the symmetry was measured at for a range of both target and masking noise densities. The threshold vs. noise density function was flat at low noise density and increased with a slope of 0.75-0.8 beyond a critical density. Axis cueing reduced the target threshold 2-4 fold at all noise densities while axis salience had an effect only at high noise density. Our results are inconsistent with an ideal observer or signal-to-noise account of symmetry detection but can be explained by a multiple-channel model is which the response in each channel is the ratio between the nonlinear transform of the responses of sets of early symmetry detectors and the sum of external and intrinsic sources of noise.

  1. Predicting Allosteric Effects from Orthosteric Binding in Hsp90-Ligand Interactions: Implications for Fragment-Based Drug Design

    Science.gov (United States)

    Larsson, Andreas; Nordlund, Paer; Jansson, Anna; Anand, Ganesh S.

    2016-01-01

    A key question in mapping dynamics of protein-ligand interactions is to distinguish changes at binding sites from those associated with long range conformational changes upon binding at distal sites. This assumes a greater challenge when considering the interactions of low affinity ligands (dissociation constants, KD, in the μM range or lower). Amide hydrogen deuterium Exchange mass spectrometry (HDXMS) is a robust method that can provide both structural insights and dynamics information on both high affinity and transient protein-ligand interactions. In this study, an application of HDXMS for probing the dynamics of low affinity ligands to proteins is described using the N-terminal ATPase domain of Hsp90. Comparison of Hsp90 dynamics between high affinity natural inhibitors (KD ~ nM) and fragment compounds reveal that HDXMS is highly sensitive in mapping the interactions of both high and low affinity ligands. HDXMS reports on changes that reflect both orthosteric effects and allosteric changes accompanying binding. Orthosteric sites can be identified by overlaying HDXMS onto structural information of protein-ligand complexes. Regions distal to orthosteric sites indicate long range conformational changes with implications for allostery. HDXMS, thus finds powerful utility as a high throughput method for compound library screening to identify binding sites and describe allostery with important implications for fragment-based ligand discovery (FBLD). PMID:27253209

  2. Predicting Allosteric Effects from Orthosteric Binding in Hsp90-Ligand Interactions: Implications for Fragment-Based Drug Design.

    Directory of Open Access Journals (Sweden)

    Arun Chandramohan

    2016-06-01

    Full Text Available A key question in mapping dynamics of protein-ligand interactions is to distinguish changes at binding sites from those associated with long range conformational changes upon binding at distal sites. This assumes a greater challenge when considering the interactions of low affinity ligands (dissociation constants, KD, in the μM range or lower. Amide hydrogen deuterium Exchange mass spectrometry (HDXMS is a robust method that can provide both structural insights and dynamics information on both high affinity and transient protein-ligand interactions. In this study, an application of HDXMS for probing the dynamics of low affinity ligands to proteins is described using the N-terminal ATPase domain of Hsp90. Comparison of Hsp90 dynamics between high affinity natural inhibitors (KD ~ nM and fragment compounds reveal that HDXMS is highly sensitive in mapping the interactions of both high and low affinity ligands. HDXMS reports on changes that reflect both orthosteric effects and allosteric changes accompanying binding. Orthosteric sites can be identified by overlaying HDXMS onto structural information of protein-ligand complexes. Regions distal to orthosteric sites indicate long range conformational changes with implications for allostery. HDXMS, thus finds powerful utility as a high throughput method for compound library screening to identify binding sites and describe allostery with important implications for fragment-based ligand discovery (FBLD.

  3. 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

  4. Effect of biodegradable chelating ligand on iron bioavailability and radish growth

    OpenAIRE

    2010-01-01

    The effect of chelating ligands on iron (Fe) uptake and growth of radish (Raphanus sativus L.) was investigated. The ethylenediaminetetraacetic acid (EDTA) increased 55Fe uptake in roots of radish though its subsequent translocation from roots to shoots and leaves did not increase. About 70%-80% of the total 55Fe was distributed in the roots while about 5%-15% and 11%-17% were in shoots and leaves, respectively. The EDTA increased iron uptake into the roots of radish, but not in the above gro...

  5. Versatile cooperative ligand effects in group 9 transition metal catalysis: Applications in transfer hydrogenation & hydrogen autotransfer reactions, ketene & ketene imine synthesis and hydroformylation

    NARCIS (Netherlands)

    Tang, Z.

    2015-01-01

    Cooperative ligand effects of transition metal complexes have a profound impact on the reaction outcome of catalytic reactions, and development of (new) cooperative metal-ligand systems is a hot topic in current catalysis research. Conventional ligands with hydride-accepting/delivering activities ar

  6. C [bond] H activation by cationic platinum(II) complexes: ligand electronic and steric effects.

    Science.gov (United States)

    Zhong, H Annita; Labinger, Jay A; Bercaw, John E

    2002-02-20

    A series of bis(aryl)diimine-ligated methyl complexes of Pt(II) with various substituted aryl groups has been prepared. The cationic complexes [(ArN=CR [bond] CR=NAr)PtMe(L)](+)[BF(4)](-) (Ar = aryl; R = H, CH(3); L = water, trifluoroethanol) react smoothly with benzene at approximately room temperature in trifluoroethanol solvent to yield methane and the corresponding phenyl Pt(II) cations, via Pt(IV)-methyl-phenyl-hydrido intermediates. The reaction products of methyl-substituted benzenes suggest an inherent reactivity preference for aromatic over benzylic C [bond] H activation, which can however be overridden by steric effects. For the reaction of benzene with cationic Pt(II) complexes bearing 3,5-disubstituted aryl diimine ligands, the rate-determining step is C [bond] H activation, whereas for the more sterically crowded analogues with 2,6-dimethyl-substituted aryl groups, benzene coordination becomes rate-determining. This switch is manifested in distinctly different isotope scrambling and kinetic deuterium isotope effect patterns. The more electron-rich the ligand is, as assayed by the CO stretching frequency of the corresponding carbonyl cationic complex, the faster the rate of C [bond] H activation. Although at first sight this trend appears to be at odds with the common description of this class of reaction as electrophilic, the fact that the same trend is observed for the two different series of complexes, which have different rate-determining steps, suggests that this finding does not reflect the actual C [bond] H activation process, but rather reflects only the relative ease of benzene displacing a ligand to initiate the reaction; that is, the change in rates is mostly due to a ground-state effect. The stability of the aquo complex ground state in equilibrium with the solvento complex increases as the diimine ligand is made more electron-withdrawing. Several lines of evidence, including the mechanism of degenerate acetonitrile exchange for the methyl

  7. Immunomodulatory effects of viral TLR ligands on experimental asthma depend on the additive effects of IL-12 and IL-10.

    Science.gov (United States)

    Sel, Serdar; Wegmann, Michael; Sel, Sarper; Bauer, Stefan; Garn, Holger; Alber, Gottfried; Renz, Harald

    2007-06-15

    Based on epidemiological data, the hygiene hypothesis associates poor hygienic living conditions during childhood with a lower risk for the development of allergic diseases such as bronchial asthma. The role of viral infections, and especially of viral TLR ligands, within this context remains to be clarified. Viral TLR ligands involve dsRNA and ssRNA which are recognized by TLR-3 or TLR-7, respectively. In this study, we evaluated the impact of TLR-3 or TLR-7 activation on experimental asthma in mice. Systemic application of the synthetic TLR-3 or TLR-7 ligands polycytidylic-polyinosinic acid (p(I:C)) or R-848, respectively, during the sensitization phase prevented the production of OVA-specific IgE and IgG1 Abs and subsequently abolished all features of experimental asthma including airway hyperresponsiveness and allergic airway inflammation. Furthermore, administration of p(I:C) or R-848 to animals with already established primary allergic responses revealed a markedly reduced secondary response following allergen aerosol rechallenges. In contrast to wild-type animals, application of p(I:C) or R-848 to IL-12p35(-/-) mice had no effect on airway inflammation, goblet cell hyperplasia, and airway hyperresponsiveness. However, in the absence of IL-12, the numbers of eosinophils and lymphocytes in bronchoalveolar lavage fluids were still significantly reduced. These partial effects could also be abolished by neutralizing anti-IL-10 Abs in IL-12p35(-/-) mice. These data indicate that TLR-3 or TLR-7 activation by viral TLR ligands has both preventive as well as suppressive effects on experimental asthma which is mediated by the additive effects of IL-12 and IL-10.

  8. Nanoparticle assembly on topographical polymer templates: effects of spin rate, nanoparticle size, ligand, and concentration.

    Science.gov (United States)

    Pavan, Mariela J; Ploshnik, Elina; Shenhar, Roy

    2012-11-29

    The ability to assemble nanoparticles (NPs) into desired patterns in a controlled fashion is crucial for the study of collective properties and for the fabrication of a variety of NP-based devices. Drying-mediated assembly directed by a template provides a facile route for organizing NPs in predefined patterns. We utilize the branched topographical landscapes displayed by partially crystallized poly(ethylene glycol) (PEG) films as a generic template for studying the drying-mediated organization of dodecanethiol- and polystyrene thiol-protected gold NPs (Au-DT and Au-PS), and explore the combined effects of NP size and ligand, concentration, and spin rate on the distribution of NPs inside the channels. We show how NP concentration and the spin rate applied during NP deposition can be used to influence the tendency of NPs either to fill the channel uniformly or to localize near the channel edges, explain the important role of the enhanced aggregation tendency of larger NPs on the resulting morphologies, and demonstrate how this tendency can be tuned by the proper choice of ligands. The different effects are explained in the context of possible scenarios of drying-mediated assembly by analyzing the relevant interactions and forces acting on the NPs during solvent evaporation.

  9. Distinct effects of EGFR ligands on human mammary epithelial cell differentiation.

    Directory of Open Access Journals (Sweden)

    Chandrani Mukhopadhyay

    Full Text Available Based on gene expression patterns, breast cancers can be divided into subtypes that closely resemble various developmental stages of normal mammary epithelial cells (MECs. Thus, understanding molecular mechanisms of MEC development is expected to provide critical insights into initiation and progression of breast cancer. Epidermal growth factor receptor (EGFR and its ligands play essential roles in normal and pathological mammary gland. Signals through EGFR is required for normal mammary gland development. Ligands for EGFR are over-expressed in a significant proportion of breast cancers, and elevated expression of EGFR is associated with poorer clinical outcome. In the present study, we examined the effect of signals through EGFR on MEC differentiation using the human telomerase reverse transcriptase (hTERT-immortalized human stem/progenitor MECs which express cytokeratin 5 but lack cytokeratin 19 (K5(+K19(- hMECs. As reported previously, these cells can be induced to differentiate into luminal and myoepithelial cells under appropriate culture conditions. K5(+K19(- hMECs acquired distinct cell fates in response to EGFR ligands epidermal growth factor (EGF, amphiregulin (AREG and transforming growth factor alpha (TGFα in differentiation-promoting MEGM medium. Specifically, presence of EGF during in vitro differentiation supported development into both luminal and myoepithelial lineages, whereas cells differentiated only towards luminal lineage when EGF was replaced with AREG. In contrast, substitution with TGFα led to differentiation only into myoepithelial lineage. Chemical inhibition of the MEK-Erk pathway, but not the phosphatidylinositol 3-kinase (PI3K-AKT pathway, interfered with K5(+K19(- hMEC differentiation. The present data validate the utility of the K5(+K19(- hMEC cells for modeling key features of human MEC differentiation. This system should be useful in studying molecular/biochemical mechanisms of human MEC differentiation.

  10. Effects of Low Reynolds Number on Wake-Generated Unsteady Flow of an Axial-Flow Turbine Rotor

    Directory of Open Access Journals (Sweden)

    Matsunuma Takayuki

    2005-01-01

    Full Text Available The unsteady flow field downstream of axial-flow turbine rotors at low Reynolds numbers was investigated experimentally using hot-wire probes. Reynolds number, based on rotor exit velocity and rotor chord length Re out,RT , was varied from 3.2× 10 4 to 12.8× 10 4 at intervals of 1.0× 10 4 by changing the flow velocity of the wind tunnel. The time-averaged and time-dependent distributions of velocity and turbulence intensity were analyzed to determine the effect of Reynolds number. The reduction of Reynolds number had a marked influence on the turbine flow field. The regions of high turbulence intensity due to the wake and the secondary vortices were increased dramatically with the decreasing Reynolds number. The periodic fluctuation of the flow due to rotor-stator interaction also increased with the decreasing Reynolds number. The energy-dissipation thickness of the rotor midspan wake at the low Reynolds number Re out,RT =3.2× 10 4 was 1.5 times larger than that at the high Reynolds number Re out,RT =12.8× 10 4 . The curve of the −0.2 power of the Reynolds number agreed with the measured energy-dissipation thickness at higher Reynolds numbers. However, the curve of the −0.4 power law fitted more closely than the curve of the −0.2 power law at lower Reynolds numbers below 6.4× 10 4 .

  11. Effect of ionic strength on ligand exchange kinetics between a mononuclear ferric citrate complex and siderophore desferrioxamine B

    Science.gov (United States)

    Ito, Hiroaki; Fujii, Manabu; Masago, Yoshifumi; Waite, T. David; Omura, Tatsuo

    2015-04-01

    The effect of ionic strength (I) on the ligand exchange reaction between a mononuclear ferric citrate complex and the siderophore, desferrioxamine B (DFB), was examined in the NaCl concentration range of 0.01-0.5 M, particularly focusing on the kinetics and mechanism of ligand exchange under environmentally relevant conditions. Overall ligand exchange rate constants were determined by spectrophotometrically measuring the time course of ferrioxamine B formation at a water temperature of 25 °C, pH 8.0, and citrate/Fe molar ratios of 500-5000. The overall ligand exchange rate decreased by 2-11-fold (depending on the citrate/Fe molar ratios) as I increased from approximately 0.01 to 0.5 M. In particular, a relatively large decrease was observed at lower I (dissociation of citrate from the parent complexes) dominates in ferrioxamine formation under the experimental conditions used. The model also predicts that the higher rate of ligand exchange at lower I is associated with the decrease in the ferric dicitrate complex stability because of the relatively high electrical repulsion between ferric monocitrate and free citrate at lower I (note that the reactivity of ferric dicitrate with DFB is smaller than that for the monocitrate complex). Overall, the findings of this study contribute to the understanding of the potential effect of I on ligand exchange kinetics in natural waters and provide fundamental knowledge on iron transformation and bioavailability.

  12. Lattice pulling effect and strain relaxation in axial (In,Ga)N/GaN nanowire heterostructures grown on GaN-buffered Si(111) substrate

    Energy Technology Data Exchange (ETDEWEB)

    Kong, X.; Trampert, A. [Paul-Drude-Institut fuer Festkoerperelektronik, Hausvogteiplatz 5-7, 10117, Berlin (Germany); Albert, S.; Bengoechea-Encabo, A.; Sanchez-Garcia, M.A.; Calleja, E. [Dpto. Ingenieria Electronica, ETSI Telecomunicacion, Universidad Politecnica, Ciudad Universitaria, 28040, Madrid (Spain)

    2015-04-01

    Transmission electron microscopy and spatially resolved electron energy-loss spectroscopy have been applied to investigate the indium distribution and the interface morphology in axial (In,Ga)N/GaN nanowire heterostructures. The ordered axial (In,Ga)N/GaN nanowire heterostructures with an indium concentration up to 80% are grown by molecular beam epitaxy on GaN-buffered Si(111) substrates. We observed a pronounced lattice pulling effect in all the nanowire samples given in a broad transition region at the interface. The lattice pulling effect becomes smaller and the (In,Ga)N/GaN interface width is reduced as the indium concentration is increased in the (In,Ga)N section. The result can be interpreted in terms of the increased plastic strain relaxation via the generation of the misfit dislocations at the interface. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Does the reason for discontinuation of a first TNF inhibitor influence the effectiveness of a second TNF inhibitor in axial spondyloarthritis?

    DEFF Research Database (Denmark)

    Ciurea, Adrian; Exer, Pascale; Weber, Ulrich

    2016-01-01

    BACKGROUND: 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. METHODS: Patients with a clinical...... (p = 0.003). At least moderate disease activity as defined by an Ankylosing Spondylitis Disease Activity Score using the erythrocyte sedimentation rate (ASDAS-ESR)

  14. Modeling the construction of polymeric adsorbent media: Effects of counter-ions on ligand immobilization and pore structure

    Science.gov (United States)

    Riccardi, Enrico; Wang, Jee-Ching; Liapis, Athanasios I.

    2014-02-01

    Molecular dynamics modeling and simulations are employed to study the effects of counter-ions on the dynamic spatial density distribution and total loading of immobilized ligands as well as on the pore structure of the resultant ion exchange chromatography adsorbent media. The results show that the porous adsorbent media formed by polymeric chain molecules involve transport mechanisms and steric resistances which cause the charged ligands and counter-ions not to follow stoichiometric distributions so that (i) a gradient in the local nonelectroneutrality occurs, (ii) non-uniform spatial density distributions of immobilized ligands and counter-ions are formed, and (iii) clouds of counter-ions outside the porous structure could be formed. The magnitude of these counter-ion effects depends on several characteristics associated with the size, structure, and valence of the counter-ions. Small spherical counter-ions with large valence encounter the least resistance to enter a porous structure and their effects result in the formation of small gradients in the local nonelectroneutrality, higher ligand loadings, and more uniform spatial density distributions of immobilized ligands, while the formation of exterior counter-ion clouds by these types of counter-ions is minimized. Counter-ions with lower valence charges, significantly larger sizes, and elongated shapes, encounter substantially greater steric resistances in entering a porous structure and lead to the formation of larger gradients in the local nonelectroneutrality, lower ligand loadings, and less uniform spatial density distributions of immobilized ligands, as well as substantial in size exterior counter-ion clouds. The effects of lower counter-ion valence on pore structure, local nonelectroneutrality, spatial ligand density distribution, and exterior counter-ion cloud formation are further enhanced by the increased size and structure of the counter-ion. Thus, the design, construction, and functionality of

  15. Discriminative stimulus effects of benzodiazepine (BZ)(1) receptor-selective ligands in rhesus monkeys.

    Science.gov (United States)

    McMahon, Lance R; Gerak, Lisa R; Carter, Lawrence; Ma, Chunrong; Cook, James M; France, Charles P

    2002-02-01

    Drug discrimination was used to examine the effects of benzodiazepine (BZ)(1) receptor-selective ligands in rhesus monkeys. In diazepam-treated (5.6 mg/kg, p.o.) monkeys discriminating the nonselective BZ antagonist flumazenil (0.32 mg/kg, s.c.), the BZ(1)-selective antagonist beta-carboline-3-carboxylate-t-butyl ester (beta-CCt) substituted for flumazenil. The onset of action of beta-CCt was delayed with a dose of 5.6 mg/kg beta-CCt substituting for flumazenil 2 h after injection. In monkeys discriminating the nonselective BZ agonist midazolam (0.56 mg/kg, s.c.), the BZ(1)-selective agonists zaleplon (ED(50) = 0.78 mg/kg) and zolpidem (ED(50) = 1.73 mg/kg) substituted for midazolam. The discriminative stimulus effects of midazolam, zaleplon, and zolpidem were antagonized by beta-CCt (1.0-5.6 mg/kg, s.c.), and the effects of zaleplon and zolpidem were also antagonized by flumazenil (0.01-0.32 mg/kg, s.c.). Schild analyses supported the notion of a simple, competitive interaction between beta-CCt and midazolam (slope = -1.08; apparent pA(2) = 5.41) or zaleplon (slope = -1.57; apparent pA(2) = 5.49) and not between beta-CCt and zolpidem. Schild analyses also were consistent with a simple, competitive interaction between flumazenil and zaleplon (slope = -1.03; apparent pA(2) = 7.45) or zolpidem (slope = -1.11; apparent pA(2) = 7.63). These results suggest that the same BZ receptor subtype(s) mediate(s) the effects of midazolam, zolpidem, and zaleplon under these conditions and that selective binding of BZ ligands does not necessarily confer selective effects in vivo.

  16. 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.

  17. Neuroprotective effects of receptor imidazoline 2 and its endogenous ligand agmatine

    Institute of Scientific and Technical Information of China (English)

    Wei-Wen QIU; Rong-Yuan ZHENG

    2006-01-01

    Receptor imidazoline 2 (I2) is one of the imidazoline receptors with high affinity for [3H]-idazoxan. Receptor I2,being classified into I2A and I2B subtypes, is mainly localized to the outer membrane of mitochondria in liver, kidney and brain. Receptor I2, displaying high similarity of sequence with monoamine oxidase-B (MAO-B), is structurally related to MAO-B, but the I2 imidazoline binding site (I2BS) with ligand is distinct from the catalytic site of MAO-B. Agmatine is the endogenous ligand of receptor I2. Accumulating evidence have revealed that the activation of receptors I2 may produce neuroprotective effects by increasing expression of glial fibrillary acidic protein (GFAP) in astrocytes, inhibiting activity of MAO, reducing calcium overload in cells. Agmatine exerts neuroprotection against ischemia-hypoxia, injury, glutamateinduced neurotoxicity by activating imidazoline receptors, blocking N-methyl-D-aspartate (NMDA) receptor, inhibiting all isoforms of nitric oxide synthase (NOS), and selectively blocking the voltage-gated calcium channels (VGCC). It would be expected that agmatine is one of the potential neuroprotective agents.

  18. Effects of ligand binding on the mechanical properties of ankyrin repeat protein gankyrin.

    Directory of Open Access Journals (Sweden)

    Giovanni Settanni

    Full Text Available Ankyrin repeat proteins are elastic materials that unfold and refold sequentially, repeat by repeat, under force. Herein we use atomistic molecular dynamics to compare the mechanical properties of the 7-ankyrin-repeat oncoprotein Gankyrin in isolation and in complex with its binding partner S6-C. We show that the bound S6-C greatly increases the resistance of Gankyrin to mechanical stress. The effect is specific to those repeats of Gankyrin directly in contact with S6-C, and the mechanical 'hot spots' of the interaction map to the same repeats as the thermodynamic hot spots. A consequence of stepwise nature of unfolding and the localized nature of ligand binding is that it impacts on all aspects of the protein's mechanical behavior, including the order of repeat unfolding, the diversity of unfolding pathways accessed, the nature of partially unfolded intermediates, the forces required and the work transferred to the system to unfold the whole protein and its parts. Stepwise unfolding thus provides the means to buffer repeat proteins and their binding partners from mechanical stress in the cell. Our results illustrate how ligand binding can control the mechanical response of proteins. The data also point to a cellular mechano-switching mechanism whereby binding between two partner macromolecules is regulated by mechanical stress.

  19. Investigations of the Ligand Electronic Effects on α-Diimine Nickel(II Catalyzed Ethylene Polymerization

    Directory of Open Access Journals (Sweden)

    Lihua Guo

    2016-01-01

    Full Text Available The synthesis and characterization of a series of dibenzhydryl-based α-diimine Ni(II complexes bearing a range of electron-donating or -withdrawing groups are described. Polymerization with ethylene is investigated in detail, involving the activator effect, influence of polymerization conditions on catalyst activity, thermal stability, polymer molecular weight and melting point. All of these Ni(II complexes show great activity (up to 6 × 106 g of PE (mol of Ni−1·h−1, exceptional thermal stability (stable at up to 100 °C and generate polyethylene with very high molecular weight (Mn up to 1.6 × 106 and very narrow molecular weight distribution. In the dibromo Ni(II system, the electronic perturbations exhibit little variation on the ethylene polymerization. In the Ni(acac system, dramatic ligand electronic effects are observed in terms of catalytic activity and polyethylene molecular weight.

  20. Quantitative Analysis of Multivalent Ligand Presentation on Gold Glyconanoparticles and Their Effects on Protein Binding

    Science.gov (United States)

    Wang, Xin; Ramström, Olof; Yan, Mingdi

    2010-03-01

    Bio-functionalized nanomaterials, which combine functions of biological ligands and unique properties of nano-sized building blocks, have exhibited increased potential applications in biosensing, therapeutics, and diagnostics. Glyconanoparitcles carrying a monolayer of carbohydrate ligands on nanoparticles provide an excellent platform for sensitive protein recognitions. Using Au nanoparticles as the scaffold, multivalent interactions between glycan ligands and proteins have been demonstrated. However, quantitative analysis especially the binding affinity of the resulting glyconanoparticles is challenging to determine. Here we present a new characterization technique, based on fluorescent competition binding assays, for measuring dissociation constants for glyconanoparticles-protein interactions. Au nanoparticles coupled with a series of un-derivatized carbohydrates were prepared by a photocoupling chemistry. Dramatic binding affinity enhancement was observed due to the high ligand density on nanoparticles, which was highly relevant to ligand display, controlled by the linker type, chain length, ligand size and density.

  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. Effect of Axial Eye Length on Retinal Vessel Parameters in 6 to 12-Year-Old Malay Girls

    Science.gov (United States)

    Tai, Evelyn Li Min; Li, Ling-Jun; Wan-Hazabbah, Wan Hitam; Wong, Tien-Yin; Shatriah, Ismail

    2017-01-01

    Purpose Retinal vessel analysis is affected by both systemic and ocular factors. Malays are the major ethnicity in South East Asia. Data on the retinal microvasculature in Malays is limited, especially among children. We aim to evaluate the influence of ocular biometry on retinal vessel parameters in young Malay girls. Methods This was a cross-sectional, hospital-based study involving 86 Malay girls aged 6 to 12 years old in Hospital Universiti Sains Malaysia from 2015–2016. Ocular examination, refraction, biometry, retinal photography, and anthropometric measurements were performed. The central retinal arteriolar equivalent (CRAE), central retinal venular equivalent (CRVE) and overall fractal dimension (Df) were measured using validated computer-based methods (Singapore I vessel analyzer, SIVA version 3.0, Singapore). The associations of ocular biometry and CRAE, CRVE and Df were analyzed using multivariable analysis. Results The mean CRAE, CRVE and Df in Malay girls were 171.40 (14.40) um, 248.02 (16.95) um and 1.42 (0.05) respectively. Each 1 mm increase in axial length was associated with a reduction of 4.25 um in the CRAE (p = 0.03) and a reduction of 0.02 in the Df (p = 0.02), after adjustment for age, blood pressure and body mass index. No association was observed between axial length and CRVE. Anterior chamber depth and corneal curvature had no association with CRAE, CRVE or Df. Conclusion Axial length affects retinal vessel measurements. Narrower retinal arterioles and reduced retinal fractal dimension were observed in Malay girls with longer axial lengths. PMID:28107389

  3. 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

  4. Renormalization of myoglobin-ligand binding energetics by quantum many-body effects

    CERN Document Server

    Weber, Cedric; O'Regan, David D; Payne, Mike C

    2014-01-01

    We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, namely a linear-scaling density functional theory (DFT) approach wherein the treatment of localized iron 3d electrons is further refined using dynamical mean-field theory (DMFT). This combination of methods explicitly accounts for dynamical and multi-reference quantum physics, such as valence and spin fluctuations, of the 3d electrons, whilst treating a significant proportion of the protein (more than 1000 atoms) with density functional theory. The computed electronic structure of the myoglobin complexes and the nature of the Fe-O2 bonding are validated against experimental spectroscopic observables. We elucidate and solve a long standing problem related to the quantum-mechanical description of the respiration process, namely that DFT calculations predict a st...

  5. Organic Ligand, Competing Cation, and pH Effects on Dissolution of Zinc in Soils

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    A series of experiments were conducted to examine the interactive effects of an organic ligand,a competing cation,and pH on the dissolution of zinc(Zn)from three California soils,Maymen sandy loam,Merced clay,and Yolo clay loam.The concentrations of soluble Zn of the three soils were low in a background solution of Ca(NO3)2.Citric acid,a common organic ligand found in the rhizosphere,was effective in mobilizing Zn in these soils; its presence enhanced the concentration of Zn in soil solution by citrate forming a complex with Zn.The ability of Zn to form a complex with citric acid in the soil solution was dependent on the concentration of citric acid,pH,and the concentration of the competing cation Ca2+.The pH of the soil solution determined the extent of desorption of Zn in solid phase in the presence of citric acid.The amounts of Zn released from the solid phase were proportional to the concentration of citric acid and inversely proportional to the concentration of Ca(NO3)2 background solution,which supplied the competing cation Ca2+ for the formation of a complex with citrate.When the soil suspension was spiked with Zn,the adsorption of Zn by the soils was retarded by citric acid via the formation of the soluble Zn-citrate complex.The dissolution of Zn in the presence of citric acid was pH dependent in both adsorption and desorption processes.

  6. Looking for a synergic effect between NHCs and chiral P-ligands.

    Science.gov (United States)

    Toselli, Nicolas; Martin, David; Buono, Gérard

    2008-04-03

    The issue of the added value of NHCs in asymmetric catalysis with respect to trusted chiral P-ligands was addressed: considering a prototypical asymmetric allylic alkylation reaction as a model, the association of a priori inhibiting and achiral NHCs with modular P-ligand resulted in enhancement of er up to 508% and increased rates.

  7. Optimization of axial blowers. Optimierung von Axial-Ventilatoren

    Energy Technology Data Exchange (ETDEWEB)

    Bolte, W.

    1992-08-01

    For the optimum possible design of axial blowers, trials are evaluated in the article, which are based on the grid profile examined by N. Scholz. The computation for the pressure number and the primary degree of efficiency are shown as well as the evaluation of the effect of the Reynolds and mach number on the degree of efficiency and determination of the secondary losses. In a final example, the dimensions of a blower are computed from the data determined during the trials. (orig.).

  8. The effect of "on/off" molecular switching on the photophysical and photochemical properties of axially calixarene substituted activatable silicon(iv)phthalocyanine photosensitizers.

    Science.gov (United States)

    Güngör, Ömer; Altınbaş Özpınar, Gül; Durmuş, Mahmut; Ahsen, Vefa

    2016-05-04

    Silicon(iv) phthalocyanines ( and ) bearing two calixarene groups as axial ligands were synthesized. Surprisingly, both phthalocyanines were obtained as two different isomers ( and ) depending on the distance between calixarene benzene groups and the phthalocyanine ring. DFT and TD-DFT computations were performed to model plausible structures of these isomers and to simulate electronic absorption spectra. These isomers converted into each other depending on the polarity of the used solvent, temperature and light irradiation. The photophysical and photochemical properties of each isomer were investigated in dimethylsulfoxide (DMSO) for the determination of photodynamic therapy (PDT) activities of these compounds. The more blue-shifted isomers ( and ) showed higher fluorescence quantum yields and singlet oxygen generation compared to more red-shifted counterparts ( and ). This behavior is extremely important for developing activatable photosensitizers for cancer treatment by PDT. Although these photosensitizers produce lower singlet oxygen in normal cells, they produce higher singlet oxygen (six times higher for ) in cancer cells since these photosensitizers converted to more blue-shifted isomers by using light irradiation.

  9. Dissipative Axial Inflation

    CERN Document Server

    Notari, Alessio

    2016-01-01

    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...

  10. Synergistic effect between amoxicillin and TLR ligands on dendritic cells from amoxicillin-delayed allergic patients.

    Directory of Open Access Journals (Sweden)

    Maria J Sanchez-Quintero

    Full Text Available Amoxicillin, a low-molecular-weight compound, is able to interact with dendritic cells inducing semi-maturation in vitro. Specific antigens and TLR ligands can synergistically interact with dendritic cells (DC, leading to complete maturation and more efficient T-cell stimulation. The aim of the study was to evaluate the synergistic effect of amoxicillin and the TLR2, 4 and 7/8 agonists (PAM, LPS and R848, respectively in TLR expression, DC maturation and specific T-cell response in patients with delayed-type hypersensitivity (DTH reactions to amoxicillin. Monocyte-derived DC from 15 patients with DTH to amoxicillin and 15 controls were cultured with amoxicillin in the presence or absence of TLR2, 4 and 7/8 agonists (PAM, LPS and R848, respectively. We studied TLR1-9 gene expression by RT-qPCR, and DC maturation, lymphocyte proliferation and cytokine production by flow cytometry. DC from both patients and controls expressed all TLRs except TLR9. The amoxicillin plus TLR2/4 or TLR7/8 ligands showed significant differences, mainly in patients: AX+PAM+LPS induced a decrease in TLR2 and AX+R848 in TLR2, 4, 7 and 8 mRNA levels. AX+PAM+LPS significantly increased the percentage of maturation in patients (75% vs. controls (40% (p=0.036 and T-cell proliferation (80.7% vs. 27.3% of cases; p=0.001. Moreover, the combinations AX+PAM+LPS and AX+R848 produced a significant increase in IL-12p70 during both DC maturation and T-cell proliferation. These results indicate that in amoxicillin-induced maculopapular exanthema, the presence of different TLR agonists could be critical for the induction of the innate and adaptive immune responses and this should be taken into account when evaluating allergic reactions to these drugs.

  11. 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.

  12. Effect of Radial and Axial Deformation on Electron Transport Properties in a Semiconducting Si-C Nanotube

    Directory of Open Access Journals (Sweden)

    S. Choudhary

    2011-01-01

    Full Text Available We study the bias voltage dependent current characteristic in a deformed (8, 0 silicon carbide nanotube by applying self consistent non-equilibrium Green’s function formalism in combination with the density-functional theory to a two probe molecular junction constructed from deformed nanotube. The transmission spectra and electron density of states at zero bias shows a significant reduction in threshold in the case of both radially compressed and axially elongated nanotube. However, semiconductor to metal transition was not observed, though the results show large differences in current characteristic compared to a perfect nanotube.

  13. Effects of peripheral-type benzodiazepine receptor ligands on Ehrlich tumor cell proliferation.

    Science.gov (United States)

    Sakai, Mônica; Fonseca, Evelise Souza Monteiro; Oloris, Silvia Catarina Salgado; Matsuzaki, Patrícia; Otake, Andréia Hanada; Leite, Kátia Ramos Moura; Massoco, Cristina Oliveira; Dagli, Maria Lúcia Zaidan; Palermo-Neto, João

    2006-11-21

    Peripheral-type benzodiazepine receptors have been found throughout the body, and particularly, in high numbers, in neoplastic tissues such as the ovary, liver, colon, breast, prostate and brain cancer. Peripheral-type benzodiazepine receptor expression has been associated with tumor malignity, and its subcellular localization is important to define its function in tumor cells. We investigated the presence of peripheral-type benzodiazepine receptors in Ehrlich tumor cells, and the in vitro effects of peripheral-type benzodiazepine receptors ligands on tumor cell proliferation. Our results demonstrate the presence of peripheral-type benzodiazepine receptor in the nucleus of Ehrlich tumor cells (85.53+/-12.60%). They also show that diazepam and Ro5-4864 (peripheral-type benzodiazepine receptor agonists) but not clonazepam (a molecule with low affinity for the peripheral-type benzodiazepine receptor) decreased the percentage of tumor cells in G0-G1 phases and increased that of cells in S-G2-M phases. The effects of those agonists were prevented by PK11195 (a peripheral-type benzodiazepine receptor antagonist) that did not produce effects by itself. Altogether, these data suggest that the presence of peripheral-type benzodiazepine receptor within the nucleus of Ehrlich tumor cells is associated with tumor malignity and proliferation capacity.

  14. Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.

    Science.gov (United States)

    Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab

    2016-07-05

    The activation of nitric oxide (NO) by transition metal complexes has attracted a wide range of research activity. To study the role of ligand denticity on the NO reactivity of Co(ii) complexes, three complexes (, and ) were prepared with ligands , and [ = N(1),N(2)-bis(2,4,6-trimethylbenzyl)ethane-1,2-diamine; = N(1)-(2,4,6-trimethylbenzyl)-N(2)-(2-((2,4,6-trimethylbenzyl)amino)ethyl)ethane-1,2-diamine] and = N(1)-(2,4,6-trimethylbenzyl)-N(2),N(2)-bis(2-((2,4,6-trimethylbenzyl)amino)ethyl)ethane-1,2-diamine], respectively. The complexes differ from each other in terms of denticity and flexibility of the ligand frameworks. In degassed methanol solution, they were exposed to NO gas and their reactivity was studied using various spectroscopic techniques. In the case of complex with a bidentate ligand, reductive nitrosylation of the metal ion with concomitant dinitrosation of the ligand framework was observed. Complex with a tridentate ligand did not undergo reductive nitrosylation; rather, the formation of [Co(III)(NO(-))] was observed. The nitrosyl complexes were isolated and structurally characterized. On the other hand, complex with a tetradentate tripodal ligand did not react with NO. This can be attributed to the geometry of the complex as well as due to the accessibility of the corresponding redox potential.

  15. Axial allometry in a neutrally buoyant environment: effects of the terrestrial-aquatic transition on vertebral scaling.

    Science.gov (United States)

    Jones, K E; Pierce, S E

    2016-03-01

    Ecological diversification into new environments presents new mechanical challenges for locomotion. An extreme example of this is the transition from a terrestrial to an aquatic lifestyle. Here, we examine the implications of life in a neutrally buoyant environment on adaptations of the axial skeleton to evolutionary increases in body size. On land, mammals must use their thoracolumbar vertebral column for body support against gravity and thus exhibit increasing stabilization of the trunk as body size increases. Conversely, in water, the role of the axial skeleton in body support is reduced, and, in aquatic mammals, the vertebral column functions primarily in locomotion. Therefore, we hypothesize that the allometric stabilization associated with increasing body size in terrestrial mammals will be minimized in secondarily aquatic mammals. We test this by comparing the scaling exponent (slope) of vertebral measures from 57 terrestrial species (23 felids, 34 bovids) to 23 semi-aquatic species (pinnipeds), using phylogenetically corrected regressions. Terrestrial taxa meet predictions of allometric stabilization, with posterior vertebral column (lumbar region) shortening, increased vertebral height compared to width, and shorter, more disc-shaped centra. In contrast, pinniped vertebral proportions (e.g. length, width, height) scale with isometry, and in some cases, centra even become more spool-shaped with increasing size, suggesting increased flexibility. Our results demonstrate that evolution of a secondarily aquatic lifestyle has modified the mechanical constraints associated with evolutionary increases in body size, relative to terrestrial taxa.

  16. The effect of active control on the performance and wake characteristics of an axial-flow Marine Hydrokinetic turbine

    Science.gov (United States)

    Hill, Craig; Vanness, Katherine; Stewart, Andy; Polagye, Brian; Aliseda, Alberto

    2016-11-01

    Turbulence-induced unsteady forcing on turbines extracting power from river, tidal, or ocean currents will affect performance, wake characteristics, and structural integrity. A laboratory-scale axial-flow turbine, 0 . 45 m in diameter, incorporating rotor speed sensing and independent blade pitch control has been designed and tested with the goal of increasing efficiency and/or decreasing structural loading. Laboratory experiments were completed in a 1 m wide, 0.75 m deep open-channel flume at moderate Reynolds number (Rec =6104 -2105) and turbulence intensity (T . I . = 2 - 10 %). A load cell connecting the hub to the shaft provided instantaneous forces and moments on the device, quantifying turbine performance under unsteady inflow and for different controls. To mitigate loads, blade pitch angles were controlled via individual stepper motors, while a six-axis load cell mounted at the root of one blade measured instantaneous blade forces and moments, providing insights into variable loading due to turbulent inflow and blade-tower interactions. Wake characteristics with active pitch control were compared to fixed blade pitch and rotor speed operation. Results are discussed in the context of optimization of design for axial-flow Marine Hydrokinetic turbines.

  17. The effects of self-fields on the electron trajectory in a two-stream free electron laser with a helical wiggler and an axial guiding magnetic field

    Institute of Scientific and Technical Information of China (English)

    S. Saviz; E. Lashani; Farzin M. Aghamir

    2012-01-01

    A theory for the two-stream free-electron laser (TSFEL) with a helical wiggler and an axial guide magnetic field is developed.In the analysis,the effects of self-fields are taken into account.An analysis of the two-stream steady-state electron trajectories is given by solving the equation of motion.Numerical calculations show that there are seven groups of orbits in the presence of self-fields instead of two groups reported in the absence of self-fields.The stability of the trajectories is studied numerically.

  18. Multiple internal reflectance infrared spectra of variably hydrated hemoglobin and myoglobin films: effects of globin hydration on ligand conformer dynamics and reactivity at the heme.

    Science.gov (United States)

    Brown, W E; Sutcliffe, J W; Pulsinelli, P D

    1983-06-07

    Multiple internal reflectance infrared (IR) spectra are reported for variably hydrated films (1.2-0.1 g of H2O/g of protein) of the carbon monoxy and oxy forms of human Hb and sperm whale Mb. The spectra show that even the limited removal of liquid and icelike hydration constraints at the globin surface is sufficient to cause a dramatic, but completely reversible, shift toward a normally minute population of sterically unhindered, linear-perpendicular, Fe-CO conformer modes (nu CO = 1968-1967 cm-1), and the destabilization of distally hindered, tilted (or bent), Fe-CO modes (nu CO = 1951, 1944-1933 cm-1). Corroborative evidence from IR band broadening trends [delta delta nu 1/2 (1968, 1967 cm-1) approximately 2-4 cm-1], corresponding changes in the visible, and H-D exchange kinetics confirm that the shift toward 1968-1967 cm-1 results in a more open distal heme pocket configuration and that it is also accompanied by a buildup of deoxy-like steric hindrance proximal to the heme. Denaturation effects are eliminated as a potential cause of the shifts, as are specific protein-protein, ion-protein, intersubunit, and MIR crystal-film surface interactions. The hydration effect exhibits globin-dependent and ligand-dependent differences, which highlight the intrinsic importance of distal steric effects within the heme pocket and their dynamic coupling with exterior solvent constraints. CO-photodissociation and O2-exchange experiments conducted on rapidly interconverting (coupled and fully hydrated) and noninterconverting (uncoupled and partially hydrated) Fe-CO conformers also suggest that the open linear-perpendicular mode corresponds to a more tightly bound form of CO than the axially distorted Fe-CO species; similar differences are not evident in Fe-O2, which already prefers a bent end-on geometry within the heme pocket. Control IR spectra aimed at monitoring the progressive effects of various denaturants on HbCO further indicate that this same open mode serves as a

  19. The effect of ligands on the thermal stability of sulfotransferases: a molecular dynamics simulation study.

    Science.gov (United States)

    Zhang, Pu-pu; Zhao, Li; Long, Shi-yang; Tian, Pu

    2015-04-01

    Human cytosolic sulfotransferases (hSULTs) are important phase II metabolic enzymes. They catalyze transfer of the sulfuryl-group (-SO3) from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to the hydroxyl or primary amine moieties of a large number of endogenous and xenobiotic substrates. Broad selectivity and specificity of binding and activity within the sulfortransferases family could be detected by thermal denaturation assays, which have been made more and more suitable for high throughput screening based on recent technical advances. Here molecular dynamics simulations were used to explore the effect of the cofactor (PAPS) and substrate (LCA) on the thermal stability of the enzyme. It was found that the apo-enzyme unfolded fastest upon heating. The holo-enzyme with bound substrate LCA unfolded slowest. This thermo-denaturation order is consistent with that observed in experiments. Further it was found that the cofactor and substrate will pronouncedly increase the thermal stability of the active pocket regions that interact directly with the ligands. In addition, cofactor and substrate show noticeable synergy effect on the thermal stability of the enzyme.

  20. Immune Adjuvant Effect of Molecularly-defined Toll-Like Receptor Ligands

    Directory of Open Access Journals (Sweden)

    Deana N. Toussi

    2014-04-01

    Full Text Available Vaccine efficacy is optimized by addition of immune adjuvants. However, although adjuvants have been used for over a century, to date, only few adjuvants are approved for human use, mostly aimed at improving vaccine efficacy and antigen-specific protective antibody production. The mechanism of action of immune adjuvants is diverse, depending on their chemical and molecular nature, ranging from non-specific effects (i.e., antigen depot at the immunization site to specific activation of immune cells leading to improved host innate and adaptive responses. Although the detailed molecular mechanism of action of many adjuvants is still elusive, the discovery of Toll-like receptors (TLRs has provided new critical information on immunostimulatory effect of numerous bacterial components that engage TLRs. These ligands have been shown to improve both the quality and the quantity of host adaptive immune responses when used in vaccine formulations targeted to infectious diseases and cancer that require both humoral and cell-mediated immunity. The potential of such TLR adjuvants in improving the design and the outcomes of several vaccines is continuously evolving, as new agonists are discovered and tested in experimental and clinical models of vaccination. In this review, a summary of the recent progress in development of TLR adjuvants is presented.

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

    Energy Technology Data Exchange (ETDEWEB)

    Tian, Guoxin; Rao, Linfeng

    2009-10-20

    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 {beta}H'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 log{beta}H at higher temperatures suggest that the hydrogen ions would compete less strongly with the metal ions for the complexation of DTPA at higher temperatures.

  2. Ligand effects on the structure and vibrational properties of the thiolated Au18 cluster

    Directory of Open Access Journals (Sweden)

    Alfredo Tlahuice-Flores

    2016-10-01

    Full Text Available Most of the studies devoted to thiolated gold clusters suppose that their core and Au-S framework do not suffer from distortion independently of the protecting ligands (-SR and it is assumed as correct to simplify the ligand as SCH3. In this work is delivered a systematic study of the structure and vibrational properties (IR and Raman of the Au18(SR14 cluster. The pursued goal is to understand the dependency of the displayed vibrational properties of the thiolated Au18 cluster with the ligands type. A set of six ligands was considered during calculations of the vibrational properties based on density functional theory (DFT and in its dispersion-corrected approach (DFT-D.

  3. Ligand effects on the structure and vibrational properties of the thiolated Au18 cluster

    Institute of Scientific and Technical Information of China (English)

    Alfredo; Tlahuice-Flores

    2016-01-01

    Most of the studies devoted to thiolated gold clusters suppose that their core and Au-S framework do not suffer from distortion independently of the protecting ligands (-SR) and it is assumed as correct to simplify the ligand as SCH3. In this work is delivered a systematic study of the structure and vibrational properties (IR and Raman) of the Au18(SR)14 cluster. The pursued goal is to understand the dependency of the displayed vibrational properties of the thiolated Au18 cluster with the ligands type. A set of six ligands was considered during calculations of the vibrational properties based on density functional theory (DFT) and in its dispersion-corrected approach (DFT-D).

  4. 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.

  5. PEG-PE micelles loaded with paclitaxel and surface-modified by a PBR-ligand: synergistic anticancer effect

    Science.gov (United States)

    Musacchio, Tiziana; Laquintana, Valentino; Latrofa, Andrea; Trapani, Giuseppe; Torchilin, Vladimir P.

    2009-01-01

    Selective ligands to the Peripheral Benzodiazepine Receptor (PBR) may induce apoptosis and cell cycle arrest. An over-expression of PBR in certain cancers allowed us to consider the use of highly selective ligands to PBR for receptor-mediated drug targeting to tumors. With this in mind, we prepared PBR-targeted nanoparticulate drug delivery systems (PEG-PE micelles) loaded with the anticancer drug paclitaxel (PCL) to test possible synergistic anticancer effects. PEG2k-PE-based polymeric micelles with and without PCL were prepared in HBS, pH 7.5, and conjugated with a PBR-ligand (CB86) in 0.45% of DMSO. The cytotoxic effect of such micelles against the LN 18 human glioblastoma cell line was studied in cell culture. The micelles maintained their size and size distribution and remained intact without drug release after the PBR-ligand conjugation. The PCL-loaded PBR-targeted micelles showed a significantly enhanced toxicity against human glioblastoma LN 18 cancer cells in vitro. Thus, PBR-targeted nanopreparations may potentially serve as a new nanomedicine for targeted cancer therapy. PMID:19718800

  6. 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.

  7. Evaluation of Polymeric Nanomedicines Targeted to PSMA: Effect of Ligand on Targeting Efficiency.

    Science.gov (United States)

    Fuchs, Adrian V; Tse, Brian W C; Pearce, Amanda K; Yeh, Mei-Chun; Fletcher, Nicholas L; Huang, Steve S; Heston, Warren D; Whittaker, Andrew K; Russell, Pamela J; Thurecht, Kristofer J

    2015-10-12

    Targeted nanomedicines offer a strategy for greatly enhancing accumulation of a therapeutic within a specific tissue in animals. In this study, we report on the comparative targeting efficiency toward prostate-specific membrane antigen (PSMA) of a number of different ligands that are covalently attached by the same chemistry to a polymeric nanocarrier. The targeting ligands included a small molecule (glutamate urea), a peptide ligand, and a monoclonal antibody (J591). A hyperbranched polymer (HBP) was utilized as the nanocarrier and contained a fluorophore for tracking/analysis, whereas the pendant functional chain-ends provided a handle for ligand conjugation. Targeting efficiency of each ligand was assessed in vitro using flow cytometry and confocal microscopy to compare degree of binding and internalization of the HBPs by human prostate cancer (PCa) cell lines with different PSMA expression status (PC3-PIP (PSMA+) and PC3-FLU (PSMA-). The peptide ligand was further investigated in vivo, in which BALB/c nude mice bearing subcutaneous PC3-PIP and PC3-FLU PCa tumors were injected intravenously with the HBP-peptide conjugate and assessed by fluorescence imaging. Enhanced accumulation in the tumor tissue of PC3-PIP compared to PC3-FLU highlighted the applicability of this system as a future imaging and therapeutic delivery vehicle.

  8. A Vitamin D Receptor Selectively Activated by Gemini Analogs Reveals Ligand Dependent and Independent Effects

    Directory of Open Access Journals (Sweden)

    Tiphaine Huet

    2015-02-01

    Full Text Available The bioactive form of vitamin D [1,25(OH2D3] regulates mineral and bone homeostasis and exerts potent anti-inflammatory and antiproliferative properties through binding to the vitamin D receptor (VDR. The 3D structures of the VDR ligand-binding domain with 1,25(OH2D3 or gemini analogs unveiled the molecular mechanism underlying ligand recognition. On the basis of structure-function correlations, we generated a point-mutated VDR (VDRgem that is unresponsive to 1,25(OH2D3, but the activity of which is efficiently induced by the gemini ligands. Moreover, we show that many VDR target genes are repressed by unliganded VDRgem and that mineral ion and bone homeostasis are more impaired in VDRgem mice than in VDR null mice, demonstrating that mutations abolishing VDR ligand binding result in more severe skeletal defects than VDR null mutations. As gemini ligands induce VDRgem transcriptional activity in mice and normalize their serum calcium levels, VDRgem is a powerful tool to further unravel both liganded and unliganded VDR signaling.

  9. Theoretical study on effect of radial and axial deformation on electron transport properties in a semiconducting Si–C nanotube

    Indian Academy of Sciences (India)

    Sudhanshu Choudhary; S Qureshi

    2012-10-01

    We investigate electron transport properties in a deformed (8, 0) silicon carbide nanotube by applying self consistent non-equilibrium Green’s function formalism in combination with the density-functional theory to a two-probe molecular junction constructed from deformed nanotube. The results suggest significant reduction in threshold voltage in the case of both radially compressed and axially elongated (8, 0) SiCNTs, a large difference in current–voltage characteristics was observed. Analysis of frontier molecular orbitals (FMO) and transmission spectrum show bandgap reduction in deformed nanotubes. Deformation introduces electronic states near the Fermi level, enhancing the conduction properties of (8, 0) SiCNT. The FMOs and the orbitals corresponding to peaks in () around Fermi level obviously has some major contributions from the deformed site. However, localization of the electronic state near the Fermi level is weak in (8, 0) SiCNT, possibly because of its large bandgap.

  10. Steric and Electronic Effects of Bidentate Phosphine Ligands on Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide.

    Science.gov (United States)

    Zhang, Pan; Ni, Shao-Fei; Dang, Li

    2016-09-20

    The reactivity difference between the hydrogenation of CO2 catalyzed by various ruthenium bidentate phosphine complexes was explored by DFT. In addition to the ligand dmpe (Me2 PCH2 CH2 PMe2 ), which was studied experimentally previously, a more bulky diphosphine ligand, dmpp (Me2 PCH2 CH2 CH2 PMe2 ), together with a more electron-withdrawing diphosphine ligand, PN(Me) P (Me2 PCH2 N(Me) CH2 PMe2 ), have been studied theoretically to analyze the steric and electronic effects on these catalyzed reactions. Results show that all of the most favorable pathways for the hydrogenation of CO2 catalyzed by bidentate phosphine ruthenium dihydride complexes undergo three major steps: cis-trans isomerization of ruthenium dihydride complex, CO2 insertion into the Ru-H bond, and H2 insertion into the ruthenium formate ion. Of these steps, CO2 insertion into the Ru-H bond has the lowest barrier compared with the other two steps in each preferred pathway. For the hydrogenation of CO2 catalyzed by ruthenium complexes of dmpe and dmpp, cis-trans isomerization of ruthenium dihydride complex has a similar barrier to that of H2 insertion into the ruthenium formate ion. However, in the reaction catalyzed by the PN(Me) PRu complex, cis-trans isomerization of the ruthenium dihydride complex has a lower barrier than H2 insertion into the ruthenium formate ion. These results suggest that the steric effect caused by the change of the outer sphere of the diphosphine ligand on the reaction is not clear, although the electronic effect is significant to cis-trans isomerization and H2 insertion. This finding refreshes understanding of the mechanism and provides necessary insights for ligand design in transition-metal-catalyzed CO2 transformation.

  11. Comparative effects of α2δ-1 ligands in mouse models of colonic hypersensitivity

    Science.gov (United States)

    Meleine, Mathieu; Boudieu, Ludivine; Gelot, Agathe; Muller, Emilie; Lashermes, Amandine; Matricon, Julien; Silberberg, Celine; Theodorou, Vassilia; Eschalier, Alain; Ardid, Denis; Carvalho, Frederic A

    2016-01-01

    AIM To investigate anti-hypersensitive effects of α2δ-1 ligands in non-inflammatory and inflammation-associated colonic hypersensitivity (CHS) mouse models. METHODS To induce an inflammation-associated CHS, 1% dextran sulfate sodium (DSS) was administered to C57Bl/6J male mice, in drinking water, for 14 d. Regarding the non-inflammatory neonatal maternal separation (NMS) -induced CHS model, wild-type C57BI/6J pups were isolated from their mother from day 2 to day 14 (P2 to P14), three hours per day (from 9:00 a.m. to 12:00 p.m.). Colorectal distension was performed by inflating distension probe from 20 μL to 100 μL by 20 μL increment step every 10 s. After a first colorectal distension (CRD), drugs were administered subcutaneously, in a cumulative manner, (Gabapentin at 30 mg/kg and 100 mg/kg; Pregabalin at 10 mg/kg and 30 mg/kg; Carbamazepine at 10 mg/kg and 30 mg/kg) and a second CRD was performed one hour after each injection. RESULTS The visceromotor response (VMR) to CRD was increased by our NMS paradigm protocol in comparison to non-handled (NH) mice, considering the highest distension volumes (80 μL: 0.783 ± 0.056 mV/s vs 0.531 ± 0.034 mV/s, P NMS and NH mice, respectively). In the inflammation-associated CHS, DSS-treated mice showed a dramatic and significant increase in VMR at 60 and 80 μL distension volumes when compared to control mice (60 μL: 0.920 ± 0.079 mV/s vs 0.426 ± 0.100 mV/s P NMS-induced CHS model for the acute subcutaneous administration of the highest cumulative dose (30 mg/kg) and significantly reduced CHS in low-dose DSS-treated mice in a dose-dependent manner. Finally, the percent decrease of AUC induced by acute GBP or Pregabalin treatment were higher in the inflammatory DSS-induced CHS model in comparison to the non-inflammatory NMS-induced CHS model. CONCLUSION This preclinical study demonstrates α2δ-1 ligands efficacy on inflammation-associated CHS, highlighting their potential clinical interest in patients with chronic

  12. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

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

    1996-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used tin applications for the cost-effective removal of specific radionuclides from nuclear waste streams.

  13. Microbial availability of mercury: effective detection and organic ligand effect using a whole-cell bioluminescent bioreporter.

    Science.gov (United States)

    Xu, Xianghua; Oliff, Kathryn; Xu, Tingting; Ripp, Steven; Sayler, Gary; Zhuang, Jie

    2015-12-01

    A luxCDABE-based genetically engineered bacterial bioreporter (Escherichia coli ARL1) was used to detect bioavailable ionic mercury (Hg(II)) and investigate the effects of humic acids and ethylenediaminetetraacetic acid (EDTA) on the bioavailability of mercury in E. c oli. Results showed that the E. c oli ARL1 bioreporter was sensitive to mercury, with a detection limit of Hg(II) of 0.5 µg/L and a linear dose/response relationship up to 2000 µg Hg(II)/L. Humic acids and EDTA decreased the Hg(II)-induced bioluminescent response of strain ARL1, suggesting that the two organic ligands reduced the bioavailability of Hg(II) via complexation with Hg(II). Compared with traditional chemical methods, the use of E. c oli ARL1 is a cost-effective, rapid, and reliable approach for measuring aqueous mercury at very low concentrations and thus has potential for applications in field in situ monitoring.

  14. 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.

  15. Drugs, non-drugs, and disease category specificity: organ effects by ligand pharmacology.

    Science.gov (United States)

    García-Sosa, A T; Maran, U

    2013-01-01

    Important understanding can be gained from using molecular biology-based and chemistry-based techniques together. Bayesian classifiers have thus been developed in the present work using several statistically significant molecular properties of compiled datasets of drugs and non-drugs, including their disease category or organ. The results show they provide a useful classification and simplicity of several different ligand efficiencies and molecular properties. Early recall of drugs among non-drugs using the classifiers as a ranking tool is also provided. As the chemical space of compounds is addressed together with their anatomical characterization, chemical libraries can be improved to select for specific organ or disease. Eventually, by including even finer detail, the method may help in designing libraries with specific pharmacological or toxicological target chemical space. Alternatively, a lack of statistically significant differences in property density distributions may help in further describing compounds with possibility of activity on several organs or disease groups, and given their very similar or considerably overlapping chemical space, therefore wanted or unwanted side-effects. The overlaps between densities for several properties of organs or disease categories were calculated by integrating the area under the curves where they intersect. The naïve Bayesian classifiers are readily built, fast to score, and easily interpretable.

  16. Structures and properties of 1,8,15,22-tetrasubstituted phthalocyaninato zinc and nickel complexes: substitution and axially coordination effects study based on density functional theory calculations.

    Science.gov (United States)

    Wan, Liang; Zhang, Yuexing; Qi, Dongdong; Jiang, Jianzhuang

    2010-06-01

    On the basis of the density functional theory (DFT) calculation of ZnPc (1), Zn[Pc(alpha-OC(5)H(11))(4)] (2), Ni[Pc(alpha-OC(5)H(11))(4)] (3), and Zn[Pc(alpha-OC(5)H(11))(4)]xH(2)O (4), the effects of non-peripheral substitution, different transition metals, and axial water coordination on the molecular structure, molecular orbital, atomic charge, infrared (IR) spectrum, and electronic absorption spectrum were investigated. The calculation results reveal that bulky 3-pentyloxy groups at the non-peripheral positions of the phthalocyanine ring evince great changes in structure and properties: they deflect the isoindole units, lift the frontier molecular orbitals, alter the atomic charge distribution, shift the bands of IR and electronic absorption spectra, etc. Though the central metal can shorten or lengthen the bond length, its effect on the electronic structure and properties of the phthalocyanine complex is very limited. Axial coordination significantly enhances the non-planarity of the phthalocyanine ring and, thus, alters the electronic structure, which is important for the formation of novel dimeric supramolecular structures through intermolecular hydrogen bonds. In addition, the calculated structures of 3 as well as the simulated IR and electronic absorption spectra of 4 were compared with the experimental data and showed good agreement.

  17. 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

  18. Altered Axial Skeletal Development

    Science.gov (United States)

    The axial skeleton is routinely examined in standard developmental toxicity bioassays and has proven to be sensitive to a wide variety of chemical agents. Dysmorphogenesis in the skull, vertebral column and ribs has been described in both human populations and in laboratory anima...

  19. Steric, electronic, and secondary effects on the coordination chemistry of ionic phosphine ligands and the catalytic behavior of their metal complexes

    NARCIS (Netherlands)

    Snelders, D.J.M.; van Koten, G.; Klein Gebbink, R.J.M.

    2011-01-01

    The effects of introducing ionic functionalities in phosphine ligands on the coordination chemistry of these ligands and the catalytic behavior of the corresponding metal complexes are reviewed. The steric and electronic consequences of such functionalizations are discussed. Apart from these steric

  20. Cell receptor and surface ligand density effects on dynamic states of adhering circulating tumor cells.

    Science.gov (United States)

    Zheng, Xiangjun; Cheung, Luthur Siu-Lun; Schroeder, Joyce A; Jiang, Linan; Zohar, Yitshak

    2011-10-21

    Dynamic states of cancer cells moving under shear flow in an antibody-functionalized microchannel are investigated experimentally and theoretically. The cell motion is analyzed with the aid of a simplified physical model featuring a receptor-coated rigid sphere moving above a solid surface with immobilized ligands. The motion of the sphere is described by the Langevin equation accounting for the hydrodynamic loadings, gravitational force, receptor-ligand bindings, and thermal fluctuations; the receptor-ligand bonds are modeled as linear springs. Depending on the applied shear flow rate, three dynamic states of cell motion have been identified: (i) free motion, (ii) rolling adhesion, and (iii) firm adhesion. Of particular interest is the fraction of captured circulating tumor cells, defined as the capture ratio, via specific receptor-ligand bonds. The cell capture ratio decreases with increasing shear flow rate with a characteristic rate. Based on both experimental and theoretical results, the characteristic flow rate increases monotonically with increasing either cell-receptor or surface-ligand density within certain ranges. Utilizing it as a scaling parameter, flow-rate dependent capture ratios for various cell-surface combinations collapse onto a single curve described by an exponential formula.

  1. PPAR-gamma ligands modulate effects of LPS in stimulated rat synovial fibroblasts.

    Science.gov (United States)

    Simonin, Marie-Agnès; Bordji, Karim; Boyault, Sandrine; Bianchi, Arnaud; Gouze, Elvire; Bécuwe, Philippe; Dauça, Michel; Netter, Patrick; Terlain, Bernard

    2002-01-01

    This work demonstrated the constitutive expression of peroxisome proliferator-activated receptor (PPAR)-gamma and PPAR-alpha in rat synovial fibroblasts at both mRNA and protein levels. A decrease in PPAR-gamma expression induced by 10 microg/ml lipopolysaccharide (LPS) was observed, whereas PPAR-alpha mRNA expression was not modified. 15-Deoxy-Delta(12,14)-prostaglandin J(2) (15d-PGJ(2)) dose-dependently decreased LPS-induced cyclooxygenase (COX)-2 (-80%) and inducible nitric oxide synthase (iNOS) mRNA expression (-80%), whereas troglitazone (10 microM) only inhibited iNOS mRNA expression (-50%). 15d-PGJ(2) decreased LPS-induced interleukin (IL)-1 beta (-25%) and tumor necrosis factor (TNF)-alpha (-40%) expression. Interestingly, troglitazone strongly decreased TNF-alpha expression (-50%) but had no significant effect on IL-1 beta expression. 15d-PGJ(2) was able to inhibit DNA-binding activity of both nuclear factor (NF)-kappa B and AP-1. Troglitazone had no effect on NF-kappa B activation and was shown to increase LPS-induced AP-1 activation. 15d-PGJ(2) and troglitazone modulated the expression of LPS-induced iNOS, COX-2, and proinflammatory cytokines differently. Indeed, troglitazone seems to specifically target TNF-alpha and iNOS pathways. These results offer new insights in regard to the anti-inflammatory potential of the PPAR-gamma ligands and underline different mechanisms of action of 15d-PGJ(2) and troglitazone in synovial fibroblasts.

  2. 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.

  3. 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.

  4. Forced Transverse Vibration of a Closed Double Single-Walled Carbon Nanotube System Containing a Fluid with Effect of Compressive Axial Load

    Directory of Open Access Journals (Sweden)

    Mehrdad Nasirshoaibi

    2015-01-01

    Full Text Available Based on the Rayleigh beam theory, the forced transverse vibrations of a closed double single-walled carbon nanotube (SWCNT system containing a fluid with a Pasternak layer in-between are investigated. It is assumed that the two single-walled carbon nanotubes of the system are continuously joined by a Pasternak layer and both sides of SWCNTs containing a fluid are closed. The dynamic responses of the system caused by arbitrarily distributed continuous loads are obtained. The effect of compressive axial load on the forced vibrations of the double single-walled carbon nanotube system is discussed for one case of particular excitation loading. The properties of the forced transverse vibrations of the system are found to be significantly dependent on the compressive axial load. The steady-state vibration amplitudes of the SWCNT decrease with increasing of length of SWCNT. Vibrations caused by the harmonic exciting forces are discussed, and conditions of resonance and dynamic vibration absorption are formulated. The SWCNT-type dynamic absorber is a new concept of a dynamic vibration absorber (DVA, which can be applied to suppress excessive vibrations of corresponding SWCNT systems.

  5. Wave propagation in axially moving periodic strings

    Science.gov (United States)

    Sorokin, Vladislav S.; Thomsen, Jon Juel

    2017-04-01

    The paper deals with analytically studying transverse waves propagation in an axially moving string with periodically modulated cross section. The structure effectively models various relevant technological systems, e.g. belts, thread lines, band saws, etc., and, in particular, roller chain drives for diesel engines by capturing both their spatial periodicity and axial motion. The Method of Varying Amplitudes is employed in the analysis. It is shown that the compound wave traveling in the axially moving periodic string comprises many components with different frequencies and wavenumbers. This is in contrast to non-moving periodic structures, for which all components of the corresponding compound wave feature the same frequency. Due to this "multi-frequency" character of the wave motion, the conventional notion of frequency band-gaps appears to be not applicable for the moving periodic strings. Thus, for such structures, by frequency band-gaps it is proposed to understand frequency ranges in which the primary component of the compound wave attenuates. Such frequency band-gaps can be present for a moving periodic string, but only if its axial velocity is lower than the transverse wave speed, and, the higher the axial velocity, the narrower the frequency band-gaps. The revealed effects could be of potential importance for applications, e.g. they indicate that due to spatial inhomogeneity, oscillations of axially moving periodic chains always involve a multitude of frequencies.

  6. 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.

  7. Improved Ligand-Field Theory with Effect of Electron-Phonon Interaction

    Institute of Scientific and Technical Information of China (English)

    MA Dong-Ping; CHEN Ju-Rong

    2005-01-01

    Traditional ligand-field theory has to be improved by taking into account both "pure electronic" contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, R1, R2, R'3, R'2, and R'1 lines, U band, ground-state zero-field-splitting (GSZFS), and ground-state g factors of ruby and/or GSGG: Cr3+ as well as thermal shifts of GSZFS, R1 line and R2 line of ruby have been calculated.The results are in very good agreement with the experimental data. Moreover, it is found that the value of cubic-field parameter given by traditional ligand-field theory is inappropriately large. For thermal shifts of GSZFS, R1 line and R2 line of ruby, several conclusions have also been obtained.

  8. 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.

  9. 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

  10. Configuration Control in the Synthesis of Homo- and Heteroleptic Bis(oxazolinylphenolato/thiazolinylphenolato) Chelate Ligand Complexes of Oxorhenium(V): Isomer Effect on Ancillary Ligand Exchange Dynamics and Implications for Perchlorate Reduction Catalysis.

    Science.gov (United States)

    Liu, Jinyong; Wu, Dimao; Su, Xiaoge; Han, Mengwei; Kimura, Susana Y; Gray, Danielle L; Shapley, John R; Abu-Omar, Mahdi M; Werth, Charles J; Strathmann, Timothy J

    2016-03-01

    This study develops synthetic strategies for N,N-trans and N,N-cis Re(O)(LO-N)2Cl complexes and investigates the effects of the coordination spheres and ligand structures on ancillary ligand exchange dynamics and catalytic perchlorate reduction activities of the corresponding [Re(O)(LO-N)2](+) cations. The 2-(2'-hydroxyphenyl)-2-oxazoline (Hhoz) and 2-(2'-hydroxyphenyl)-2-thiazoline (Hhtz) ligands are used to prepare homoleptic N,N-trans and N,N-cis isomers of both Re(O)(hoz)2Cl and Re(O)(htz)2Cl and one heteroleptic N,N-trans Re(O)(hoz)(htz)Cl. Selection of hoz/htz ligands determines the preferred isomeric coordination sphere, and the use of substituted pyridine bases with varying degrees of steric hindrance during complex synthesis controls the rate of isomer interconversion. The five corresponding [Re(O)(LO-N)2](+) cations exhibit a wide range of solvent exchange rates (1.4 to 24,000 s(-1) at 25 °C) and different LO-N movement patterns, as influenced by the coordination sphere of Re (trans/cis), the noncoordinating heteroatom on LO-N ligands (O/S), and the combination of the two LO-N ligands (homoleptic/heteroleptic). Ligand exchange dynamics also correlate with the activity of catalytic reduction of aqueous ClO4(-) by H2 when the Re(O)(LO-N)2Cl complexes are immobilized onto Pd/C. Findings from this study provide novel synthetic strategies and mechanistic insights for innovations in catalytic, environmental, and biomedical research.

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

    Science.gov (United States)

    Zheng, Li-Mei; Liu, Jing-Xin

    2017-01-01

    A series of compounds based on the macrocyclic ligand cyclohexanocucurbit[6]uril (Cy6Q[6]) with formulas {Ln(H2O)6Cy6Q[6]}·2(CdCl4)·H3O·xH2O [isomorphous with Ln=La (1), Ce (2), Pr (3) and Nd (4), x=11 (1), 11 (2), 10 (3) and 11 (4)], {Sm(H2O)5Cy6Q[6]}·2(CdCl4)·H3O·10H2O (5) and {Ln(H2O)5(NO3)@Cy6Q[6]}·2(CdCl4)·2H3O·xH2O [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 CdCl2. Single-crystal X-ray diffraction analyses revealed that compounds 1-8 all crystallize in monoclinic space group P21/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)3, Tm(NO)3, Yb(NO)3 under the same conditions resulted in the compounds 9-11 with formulas Cy6Q[6]·2(CdCl4)·2H3O·xH2O [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.

  12. Inclusion complexes of poly-. beta. -cyclodextrin: a model for pressure effects upon ligand-protein complexes

    Energy Technology Data Exchange (ETDEWEB)

    Torgerson, P.M.; Drickamer, H.G.; Weber, G.

    1979-07-10

    Certain protein-ligand complexes are destabilized by application of pressures of the order of 5 to 10 kbar while others are stabilized. This divergent behavior is attributed to differences in compressibility of the protein binding sites. Pressure-stabilized binding is thought by us to be characteristic of soft binding sites, sites in which rotation about backbone bonds permits reduction of the site dimensions under pressure. In contradistinction, hard binding sites do not decrease their size when pressure is applied. As a model for this latter kind we have measured the changes in equilibrium with pressure of complexes of poly-..beta..-cyclodextrin with two fluorescent probes: 8-anilinonaphthalene-1-sulfonate and 6-propionyl-2-(dimethylamino)naphthalene. The standard volume change upon formation of the complexes at 1 atm is similar in both (+9.3 mL/mol), and as expected the incompressibility of the cyclodextrin rings results in a site from which the probes are dissociated by pressure. On the assmption of incompressibility of the binding site, the experimental data permit the calculation of the pressure vs volume curves (compressibility curves) for the probes molecularly dispersed in water. These curves are in broad agreement with those of liquid aliphatic and aromatic hydrocarbons in the low-pressure range (1 to 4 kbar) but indicate a reduced compressibility at the higher pressures. Considerations of relative compressibility offer a quantitative alternative to the usual qualitative discussion of the effects of high pressures upon proteins in terms of the participation of hydrophobic and other bonds.

  13. Dissipative axial inflation

    Science.gov (United States)

    Notari, Alessio; Tywoniuk, Konrad

    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 phi/fγ 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 ρR, which can lead to inflation without the need of a flat potential. We analyze the system, for momenta k smaller than the cutoff fγ, including the backreaction numerically. We consider the evolution from a given static initial condition and explicitly show that, if fγ is smaller than the field excursion phi0 by about a factor of at least Script 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 fγ. We also stress that the curvature perturbation on uniform density slices should be sensitive to slow-roll parameters related to ρR rather than dot phi2/2 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/fγ to U(1) (photons) is much larger than the coupling 1/fG to non-abelian gauge fields (gluons), since the latter sets the range of the potential and therefore the maximal allowed phi0~ fG.

  14. THERMAL EFFECTIVENESS OF THE GAS FLOW VORTICAL HEATRELEASE INTENSIFICATION AT AXIAL AND TRANSVERSAL FLOWING-AROUND THE ROUND-TUBULAR SURFACES Part 2

    Directory of Open Access Journals (Sweden)

    V. B. Kuntysh

    2015-01-01

    Full Text Available The paper demonstrates the fact that in valuating the actual heat efficiency from utilizing the vortical heat-release intensification it is necessary to account for the increase of heatreleasing area of the tube with the corresponding lacunae (hollows, lunules. It may vary from 4 to 280 % as a function of their geometrical parameters which causes heat-release increasing with its simultaneous growth from vortex formation in the boundary-layer flow by the swirls generated by lunule turbulizers. For the tube of axial flow-around with hollows applied on the outer surface the vortex intensification enhances the thermal effectiveness up to 1,39 times, and in the case of the transversal flow-around tube banks with lunuled tube outer surface it does not exceed 29 % at Re = 5000. With Re number growing to 14000 the energy effect tangibly declines to 6 %.The thermal effectiveness of the vortex intensification with spherical lunules on the tube inside surface and the air moving inside does not exceed 13 % in the interval Re = (1−2 ⋅ 104 , which is distinctive for air the preheaters of steam-boilers. However, a greater energy effect (up to 33 % for the axial flowing is attained from emerging saliences on the tube inside surface beneath the spherical lacunae on the outside. The authors establish that employing discrete roughness in the form of transverse circular saliences (diaphragms allows attaining much greater heat-emission intensification (up to 70 % in the interval of Re = (10−100 ⋅ 103 as compared to the smooth tube. The paper shows that physical principles of the heat-emission vortex intensification by way of lunuling the round tubular surfaces differentiate from those applying artificial limited roughness in the form of pyramid frusta on the tube outside surfaces flowed around by the transverse flow. 

  15. Ligand substitution reactions of a phenolic quinolyl hydrazone; oxidovanadium (IV complexes

    Directory of Open Access Journals (Sweden)

    Seleem Hussein S

    2011-08-01

    Full Text Available Abstract Background Quinoline ring has therapeutic and biological activities. Quinolyl hydrazones constitute a class of excellent chelating agents. Recently, the physiological and biological activities of quinolyl hydrazones arise from their tendency to form metal chelates with transition metal ions. In this context, we have aimed to study the competency effect of a phenolic quinolyl hydrazone (H2L; primary ligand with some auxiliary ligands (Tmen, Phen or Oxine; secondary ligands towards oxidovanadium (IV ions. Results Mono- and binuclear oxidovanadium (IV - complexes were obtained from the reaction of a phenolic quinolyl hydrazone with oxidovanadium (IV- ion in absence and presence of N,N,N',N'- tetramethylethylenediamine (Tmen, 1,10-phenanthroline (Phen or 8-hydroxyquinoline (Oxine. The phenolic quinolyl hydrazone ligand behaves as monobasic bidentate (NO- donor with O- bridging. All the obtained complexes have the preferable octahedral geometry except the oxinato complex (2 which has a square pyramid geometry with no axial interaction; the only homoleptic complex in this study. Conclusion The ligand exchange (substitution/replacement reactions reflect the strong competency power of the auxiliary aromatic ligands (Phen/Oxine compared to the phenolic quinolyl hydrazone (H2L towards oxidovanadium (IV ion; (complexes 2 and 3. By contrast, in case of the more flexible aliphatic competitor (Tmen, an adduct was obtained (4. The obtained complexes reflect the strength of the ligand field towards the oxidovanadium (IV- ion; Oxine or Phen >> phenolic hydrazone (H2L > Tmen.

  16. Organometallic Ru(II) Photosensitizers Derived from π-Expansive Cyclometalating Ligands: Surprising Theranostic PDT Effects.

    Science.gov (United States)

    Sainuddin, Tariq; McCain, Julia; Pinto, Mitch; Yin, Huimin; Gibson, Jordan; Hetu, Marc; McFarland, Sherri A

    2016-01-04

    The purpose of the present study was to investigate the influence of π-expansive cyclometalating ligands on the photophysical and photobiological properties of organometallic Ru(II) compounds. Four compounds with increasing π conjugation on the cyclometalating ligand were prepared, and their structures were confirmed by HPLC, 1D and 2D (1)H NMR, and mass spectrometry. The properties of these compounds differed substantially from their Ru(II) polypyridyl counterparts. Namely, they were characterized by red-shifted absorption, very weak to no room temperature phosphorescence, extremely short phosphorescence state lifetimes ( 300 μM) but was phototoxic to cells in the nanomolar regime. Exceptionally large phototherapeutic margins, exceeding 3 orders of magnitude in some cases, were accompanied by bright ligand-centered intracellular fluorescence in cancer cells. Thus, Ru(II) organometallic systems derived from π-expansive cyclometalating ligands, such 4,9,16-triazadibenzo[a,c]napthacene (pbpn), represent the first class of potent light-responsive Ru(II) cyclometalating agents with theranostic potential.

  17. Lanthanide Tetrazolate Complexes Combining Single-Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N3 by β-Diketonate Ligands on the Anisotropy Energy Barrier.

    Science.gov (United States)

    Jiménez, Juan-Ramón; Díaz-Ortega, Ismael F; Ruiz, Eliseo; Aravena, Daniel; Pope, Simon J A; Colacio, Enrique; Herrera, Juan Manuel

    2016-10-01

    Three new sets of mononuclear Ln(III) complexes of general formulas [LnL3 ]⋅CH3 OH [Ln(III) =Yb (1), Er (2), Dy (3), Gd (4), and Eu (5)], [LnL2 (tmh)(CH3 OH)]⋅n H2 O⋅m CH3 OH [Ln(III) =Yb (1 b), Er (2 b), Dy (3 b), Gd (4 b)], and [LnL2 (tta)(CH3 OH)]⋅CH3 OH [Ln(III) =Yb (1 c), Er (2 c), Dy (3 c), Gd (4 c)] were prepared by the reaction of Ln(CF3 SO3 )⋅n H2 O salts with the tridentate ligand 2-(tetrazol-5-yl)-1,10-phenanthroline (HL) and, for the last two sets, additionally with the β-diketonate ligands 2,2,6,6-tetramethylheptanoate (tmh) and 2-thenoyltrifluoroacetonate (tta), respectively. In the [LnL3 ]⋅CH3 OH complexes the Ln(III) ions are coordinated to three phenanthroline tetrazolate ligands with an LnN9 coordination sphere. Dynamic ac magnetic measurements on 1-3 reveal that these complexes only exhibit single-molecule magnet (SMM) behavior when an external dc magnetic field is applied, with Ueff values of 11.7 K (1), 16.0 K (2), and 20.2 K (3). When the tridentate phenanthroline tetrazolate ligand is replaced by one molecule of methanol and the β-diketonate ligand tmh (1 b-3 b) or tta (1 c-3 c), a significant increase in Ueff occurs and, in the case of the Dy(III) complexes 3 b and 3 c, out-of-phase χ'' signals below 15 and 10 K, respectively, are observed in zero dc magnetic field. CASSCF+RASSI ab initio calculations performed on the Dy(III) complexes support the experimental results. Thus, for 3 the ground Kramers' doublet is far from being axial and the first excited state is found to be very close in energy to the ground state, so the relaxation barrier in this case is almost negligible. Conversely, for 3 b and 3 c, the ground Kramers' doublet is axial with a small quantum tunneling of the magnetization, and the energy difference between the ground and first Kramers' doublets is much higher, which allows these compounds to behave as SMMs at zero field. Moreover, these calculations support the

  18. Structural criteria for the rational design of selective ligands. 2. Effect of alkyl substitution on metal ion complex stability with ligands bearing ethylene-bridged ether donors

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P.; Zhang, D.; Rustad, J.R. [Pacific Northwest National Laboratory, Richland, WA (United States)

    1996-04-24

    A novel approach is presented for the application and interpretation of molecular methanics calculations in ligand structural design. The methodology yields strain energies that (i) provide a yardstick for the measurements of ligand binding site organization for metal ion complexation and (ii) allow the comparison of any two ligands independent of either the number and type of donor atoms or the identity of the metal ion. Application of this methodology is demonstrated in a detailed examination of the influence of alkyl substitution on the structural organization of ethylene-bridged, bidentate, ether donor ligands for the alkali and alkaline earth cations. Nine cases are examined, including the unsubstituted ethylene bridge (dimethoxyethane), all possible arrangements of individual alkyl groups (monoalkylation, gem-dialkylation, meso-dialkylation, d,l-dialkylation, trialkylation, and tetraalkylation), and both cis and trans attachments of the cyclohexyl group. The calculated degree of binding site organization for metal ion complexation afforded by these connecting structures is shown to correlate with known changes in complex stability caused by alkyl substitution of crown ether macrocycles.

  19. Uptake of anionic radionuclides onto degraded cement pastes and competing effect of organic ligands

    Energy Technology Data Exchange (ETDEWEB)

    Pointeau, I.; Coreau, N. [L3MR, Lab. de Mesures et Modelisation de la Migration des Radionucleides, CEA Saclay, Direction de l' Energie Nucleaire/Dept. de Physico-Chimie/Service d' Etude du Comportement des Radionucleides, Gif-sur-Yvette (France); Reiller, P.E. [LSRM, Lab. de Speciation des Radionucleides et des Molecules, CEA Saclay, Direction de l' Energie Nucleaire/Dept. de Physico-Chimie/Service d' Etude du Comportement des Radionucleides, Gif-sur Yvette (France)

    2008-07-01

    Hardened cement pastes (HCP) present a high affinity with a lot of radionuclides (RN) and can be used as waste confining materials in radioactive waste repository. Indeed, in cementitious media, RN can be removed from solution via (co)precipitation reactions or via sorption/diffusion mechanisms. In this study, the affinity of anionic RN (Cl{sup -}, I{sup -}, SeO{sub 3}{sup 2-} and CO{sub 3}{sup 2-} chemical forms) with a CEM-I HCP has been studied vs. the degradation of the HCP particles. These RN are considered as mobile in repository media and it is important to have a set of distribution ratio (R{sub d}) in cement environment. The R{sub d} values have been measured in batch experiments as a function of the pH, used as the degraded state parameter of the HCP suspensions. The R{sub d} values increase in all cases, from the unaltered state (pH 13.3) to the altered state of HCP, i.e. until all portlandite is dissolved, corresponding to pH 12.6. Then, R{sub d} values decrease until degraded states (pH 12.0), corresponding to the decalcification of the calcium silicate hydrate (C-S-H) phases. The behaviour of anionic RN seems to be correlated to the evolution of calcium concentration and is opposed to the evolution of sulphate concentration in solution which could have a competing effect. Comparison is done with the behaviour of caesium and uranium(VI), which is a cationic RN but has a major negative hydrolysed species at high pH. As awaited, the uranium(VI) behaviour is very different from purely anionic RN one in accord with spectroscopic analyses from literature works. The R{sub d} values have also been measured for the organic ligands isosaccharinate (ISA) and EDTA. The uptake of ISA can be important and competing effect with the sorption of SeO{sub 3}{sup 2-} has been evidenced in HCP suspensions as a function of the ISA concentration. (orig.)

  20. Effects of inlet distortion on the development of secondary flows in a subsonic axial inlet compressor rotor. Ph.D. Thesis - Toledo Univ., OH

    Science.gov (United States)

    Owen, Albert K.

    1991-01-01

    Detailed flow measurements were taken inside an isolated axial compressor rotor operating subsonically near peak efficiency. Laser anemometer measurements were made with two inlet velocity profiles. One profile consisted of an unmodified baseline flow, and the second profile was distorted by placing axisymmetric screens on the hub and shroud well upstream of the rotor. A primary flow is defined in the rotor and deviations from this primary flow for each inlet flow condition identified. A comparison between the two flow deviations is made to assess the development of a passage vortex due to the distortion of the inlet flow. A comparison of experimental results with computational predictions from a Navier-Stokes solver showed good agreement between predicted and measured flow. Measured results indicate that a distorted inlet profile has minimal effect on the development of the flow in the rotor passage and the resulting passage vortex.

  1. Effects of surface ligands on the charge memory characteristics of CdSe/ZnS nanocrystals in TiO2 thin film

    Science.gov (United States)

    Kang, Seung-Hee; Kumar, Ch. Kiran; Lee, Zonghoon; Radmilovic, Velimir; Kim, Eui-Tae

    2009-11-01

    Charge memory characteristics have been systematically studied based on colloidal CdSe/ZnS nanocrystal quantum dots (QDs) embedded in ˜50 nm-thick TiO2 film. Ligand-capped QDs showed negligible electron charging effect, implying that the electron affinity of QDs was significantly decreased by surface dipole layer surrounding QDs. In contrast, the hole charging was affected by the carrier injection blocking effect of the surface ligands. Efficient electron and hole charging characteristics were realized by removing the surface ligands via H2 plasma treatment.

  2. Studies of Iron-Porphyrin Complexes with Different Axial Ligands by Both Spin-Restrict and Spin-Polarized Density Functional Reactivity Theory%连接不同轴向配体铁卟啉体系的自旋非极化和自旋极化密度泛函活性理论研究

    Institute of Scientific and Technical Information of China (English)

    吴文杰; 张晓青; 惠华英; 李龙; 黄莺

    2015-01-01

    Heme is a key cofactor of hemoproteins in which porphyrin is often found to be preferen-tially metallated by an iron cation.Density functional reactivity theory ( DFRT ) descriptors and their spin-polarized version have been previously applied to understand the metal-binding specificity of porphy-rin in the literature.It was found that the iron-porphyrin complex significantly differs in many aspects from porphyrin complexes with other metal cations.In this study, we employ DFRT and its spin-polarized version to investigate the reactivity for a series of small ligands axially bonded to the iron-porphyrin com-plex with the general formula of L-Fe(Ⅱ)-porphyrin, where L=SMe, SHMe, 1H-imidazole, imidazol-1-ide, OH, H2 O, H2 O2 , CO, NO, O2 , furan, isoindole, pyrrole, and pyridine.Both global and local DFRT descriptors were examined within this framework.We found that, from the analysis of DFRT and spin-polarized DFRT descriptors, CO is the ligand giving rise to the most stable Fe(Ⅱ)-prophyrin com-plex, which at the same time is less reactive than other systems.We also discovered substantial differ-ences in structural and reactivity descriptors between the systems with L=H2 O and SHMe systems as well as the systems with L=OH and SMe.Quantitative reactivity relationships have been revealed.These re-sults should help better understanding of the reactivity of heme bonding with different ligands for heme-containing enzymes and other metalloproteins alike.%血红素在许多生化反应中起着至关重要的作用,且血红素的核心为卟啉环配位铁离子。文献采用密度泛函活性理论及其自旋极化方法对卟啉环连接的金属离子的选择性进行了研究,发现卟啉环连接铁离子时其结构和活性与连接其他金属离子的体系有很大的差异。实验研究表明,轴向连接不同配体对体系的结构和活性有显著影响。本文采用密度泛函活性理论及其自旋极化方法对铁卟啉体系中铁离

  3. Ligand effects on the structures of extended networks of dicyanamide-containing transition-metal ions.

    Science.gov (United States)

    Armentano, Donatella; De Munno, Giovanni; Guerra, Francesca; Julve, Miguel; Lloret, Francesc

    2006-06-12

    The structural characterization of a series of complexes of formula [M(dca)2L]n, where dca = dicyanamide, L = 1,10-phenanthroline (phen) [1-4] and 2,9-dimethylphenanthroline (2,9-dmphen) [9-12], and M = Mn (1 and 9), Fe (2 and 10), Co (3 and 11), and Ni (4 and 12), has revealed the effect of the presence of the methyl substituents of L on the resulting network. The structure of [Mn(dca)2(phen)]n (1), which is identical to those of 2-4, together with the investigation of its magnetic properties in the temperature range of 77-300 K were reported elsewhere. The use of the 4,7-dimethylphenanthroline (4,7-dmphen) as the co-ligand yielded a series of compounds of formula [M(dca)2(4,7-dmphen)]n [M = Mn (5), Fe (6), Co (7), and Ni (8)], which are isostructural with 1-4. Compounds containing phen (1-4) and 4,7-dmphen (5-8) are made of two-dimensional grids of metal atoms, each metal atom being linked to three other metal centers through single (three metal atoms involved) and double (two metal atoms involved) dca bridges exhibiting the mu-1,5 coordination mode. The isostructural complexes [M(dca)2(2,9-dmphen)]n (9-12) also have a sheetlike structure, the metal atoms in each layer being linked by two single and one double mu-1,5-dca units, as in 1-8. However, the topology of the network in 9-12 is different from that in 1-8 because of the different arrangement of the two single mu-1,5 dca bridges: cis in 1-8 versus trans in 9-12. The magnetic study of compounds 1-12 in the temperature range of 1.9-290 K has revealed the occurrence of weak ferromagnetic (M = Ni) and antiferromagnetic interactions (M = Mn, Fe, and Co). The different magnetic behavior in 1-12 was analyzed in the light of their structures, and the values of the magnetic interactions were compared to those of related systems.

  4. Importance of Many-Body Effects in the Kernel of Hemoglobin for Ligand Binding

    Science.gov (United States)

    Weber, Cédric; O'Regan, David D.; Hine, Nicholas D. M.; Littlewood, Peter B.; Kotliar, Gabriel; Payne, Mike C.

    2013-03-01

    We propose a mechanism for binding of diatomic ligands to heme based on a dynamical orbital selection process. This scenario may be described as bonding determined by local valence fluctuations. We support this model using linear-scaling first-principles calculations, in combination with dynamical mean-field theory, applied to heme, the kernel of the hemoglobin metalloprotein central to human respiration. We find that variations in Hund’s exchange coupling induce a reduction of the iron 3d density, with a concomitant increase of valence fluctuations. We discuss the comparison between our computed optical absorption spectra and experimental data, our picture accounting for the observation of optical transitions in the infrared regime, and how the Hund’s coupling reduces, by a factor of 5, the strong imbalance in the binding energies of heme with CO and O2 ligands.

  5. 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.

  6. Evaluation of Aromatic Boronic Acids as Ligands for Measuring Diabetes Markers on Carbon Nanotube Field-Effect Transistors

    Directory of Open Access Journals (Sweden)

    Steingrimur Stefansson

    2012-01-01

    Full Text Available Biomolecular detections performed on carbon nanotube field-effect transistors (CNT-FETs frequently use reactive pyrenes as an anchor to tether bioactive ligands to the hydrophobic nanotubes. In this paper, we explore the possibility of directly using bioactive aromatic compounds themselves as CNT-FET ligands. This would be an efficient way to functionalize CNT-FETs since many aromatic compounds bind avidly to nanotubes, and it would also ensure that ligand-binding molecules would be brought in close proximity to the nanotubes. Using a model system consisting of pyrene, phenanthrene, naphthalene, or phenyl boronic acids immobilized on CNT-FET wafers, we show that all are able to bind glycated human serum albumin (gHSA, which is an important diabetes marker. Pyrene boronic acid proved to bind CNTs with the greatest apparent affinity as measured by gHSA impedance. Interestingly, gHSA CNT-FET signal intensity, which is proportional to amount of protein bound, remained essentially unchanged for all the boronic acids tested.

  7. Effects of ligand binding on the mechanical stability of protein GB1 studied by steered molecular dynamics simulation.

    Science.gov (United States)

    Su, Ji-Guo; Zhao, Shu-Xin; Wang, Xiao-Feng; Li, Chun-Hua; Li, Jing-Yuan

    2016-08-01

    Regulation of the mechanical properties of proteins plays an important role in many biological processes, and sheds light on the design of biomaterials comprised of protein. At present, strategies to regulate protein mechanical stability focus mainly on direct modulation of the force-bearing region of the protein. Interestingly, the mechanical stability of GB1 can be significantly enhanced by the binding of Fc fragments of human IgG antibody, where the binding site is distant from the force-bearing region of the protein. The mechanism of this long-range allosteric control of protein mechanics is still elusive. In this work, the impact of ligand binding on the mechanical stability of GB1 was investigated using steered molecular dynamics simulation, and a mechanism underlying the enhanced protein mechanical stability is proposed. We found that the external force causes deformation of both force-bearing region and ligand binding site. In other words, there is a long-range coupling between these two regions. The binding of ligand restricts the distortion of the binding site and reduces the deformation of the force-bearing region through a long-range allosteric communication, which thus improves the overall mechanical stability of the protein. The simulation results are very consistent with previous experimental observations. Our studies thus provide atomic-level insights into the mechanical unfolding process of GB1, and explain the impact of ligand binding on the mechanical properties of the protein through long-range allosteric regulation, which should facilitate effective modulation of protein mechanical properties.

  8. Capping-ligand effect on the stability of CdSe quantum dot Langmuir monolayers.

    Science.gov (United States)

    Radhakrishnan, Chander; Lo, Michael K F; Knobler, Charles M; Garcia-Garibay, Miguel A; Monbouquette, Harold G

    2011-03-15

    The stability of Langmuir monolayers of CdSe Qdots capped with dodecan-ethiol (DDT), with dithiocarbamates having one, two, or three long alkyl chains (DTC-1, DTC-2 and DTC-3) or with tri-n-octylphosphine oxide (TOPO), was investigated and linked to the transport of Qdots into the subphase via a dissolution and diffusion mechanism. Langmuir films of Qdots were created by depositing droplets of purified Qdots in chloroform at the air-water interface. While holding the Qdot films at 13 mN/m for 1 h in a Langmuir trough, the average monolayer areas decreased by roughly 9% for TOPO-capped Qdots, ∼15-18% for the three DTC-capped Qdot preparations, and ∼21% for DDT-capped Qdots. Using the model of Ter Minassian-Saraga, the relative stabilities of the Qdot films studied were related to differences in equilibrium partitioning into the subphase and to apparent Qdot diffusivities within the subphase. An analysis of the Qdot preparations by Fourier-transform infrared spectroscopy (FTIR) revealed that the aliphatic tails of capping ligands were assembled on Qdot surfaces with similar packing densities for all ligand chemistries. A combined analysis of the film-area contraction and FTIR data suggested that, for the chemistries examined in this study, both the capping-ligand headgroup and the aliphatic tail groups impact Qdot Langmuir film stability through their joint influence on nanoparticle wettability and the tendency to aggregate upon partitioning into the subphase.

  9. Dissecting allosteric effects of activator-coactivator complexes using a covalent small molecule ligand.

    Science.gov (United States)

    Wang, Ningkun; Lodge, Jean M; Fierke, Carol A; Mapp, Anna K

    2014-08-19

    Allosteric binding events play a critical role in the formation and stability of transcriptional activator-coactivator complexes, perhaps in part due to the often intrinsically disordered nature of one or more of the constituent partners. The kinase-inducible domain interacting (KIX) domain of the master coactivator CREB binding protein/p300 is a conformationally dynamic domain that complexes with transcriptional activators at two discrete binding sites in allosteric communication. The complexation of KIX with the transcriptional activation domain of mixed-lineage leukemia protein leads to an enhancement of binding by the activation domain of CREB (phosphorylated kinase-inducible domain of CREB) to the second site. A transient kinetic analysis of the ternary complex formation aided by small molecule ligands that induce positive or negative cooperative binding reveals that positive cooperativity is largely governed by stabilization of the bound complex as indicated by a decrease in koff. Thus, this suggests the increased binding affinity for the second ligand is not due to an allosteric creation of a more favorable binding interface by the first ligand. This is consistent with data from us and from others indicating that the on rates of conformationally dynamic proteins approach the limits of diffusion. In contrast, negative cooperativity is manifested by alterations in both kon and koff, suggesting stabilization of the binary complex.

  10. Antidepressant Effects of TrkB Ligands on Depression-Like Behavior and Dendritic Changes in Mice After Inflammation

    OpenAIRE

    Zhang, Ji-chun; Wu, Jin; Fujita, Yuko; Yao, Wei; Ren, Qian; Yang, Chun; Li, Su-xia; Shirayama, Yukihiko; Hashimoto, Kenji

    2015-01-01

    Background: Brain-derived neurotrophic factor (BDNF) and its receptor, tropomyosin-related kinase B (TrkB), signaling represent potential therapeutic targets for major depressive disorder. The purpose of this study is to examine whether TrkB ligands show antidepressant effects in an inflammation-induced model of depression. Methods: In this study, we examined the effects of TrkB agonist 7,8-dihydroxyflavone (7,8-DHF) and TrkB antagonist ANA-12 on depression-like behavior and morphological cha...

  11. Effects of dividing the transverse carpal ligament on the mechanical behavior of the carpal bones under axial compressive load: a finite element study.

    Science.gov (United States)

    Guo, Xin; Fan, Yubo; Li, Zong-Ming

    2009-03-01

    Transecting the transverse carpal ligament (TCL) is a routine procedure to surgically treat carpal tunnel syndrome; yet, its mechanical consequences on carpal bones are unclear. In this study, our intent was to perform a computational analysis of carpal biomechanics resulting from TCL release. A three-dimensional finite element model of the wrist was constructed, which included all the carpal bones, the distal ulna and radius, the proximal metacarpals and the interosseous ligaments. Cartilage layers of each bone were modeled manually according to anatomic visualization software. The TCL was also modeled in three dimensions and added to the bone model. A 100-Newton axial load was applied to the upper section of the second and third metacarpals. The effects of dividing the TCL on the displacements of the carpal bones and the contact stress distribution in the midcarpal joints were studied using a finite element analysis method. When the TCL was divided, the axial compressive load resulted in the carpal bones deviating more radially. More specifically, the carpal bones on the radial side of the capitate and lunate (i.e. the trapezium, trapezoid, and scaphoid) moved further toward the radius, and the carpal bones on the ulnar side of the capitate and lunate (i.e. hamate, triquetrum, and pisiform) moved further toward the metacarpals. The contact stresses and contact locations in the midcarpal joints changed as a result of dividing the TCL. The changes in displacements of carpal bones and the contact stress distributions in the midcarpal joints due to TCL release may be implicated for some of the postoperative complications associated with carpal tunnel release.

  12. 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.

  13. Axial coordination dichotomy in dirhodium carbenoid catalysis: a curious case of cooperative asymmetric dual-catalytic approach toward amino esters.

    Science.gov (United States)

    Kisan, Hemanta K; Sunoj, Raghavan B

    2015-02-20

    One of the most recent developments in asymmetric catalysis is to employ two or more catalysts under one-pot reaction conditions. This article presents some interesting mechanistic insights on a cooperative dual-catalytic protocol relying on the catalytic ability of dirhodium carbenoid (derived from rhodium(II) tetracarboxylate and a diazo compound) and a chiral spirophosphoric acid ((R)-SPA) in an asymmetric N-H insertion reaction. We have employed DFT(M06 and B3LYP) computational methods to identify the stereocontrolling transition states wherein a chiral (R)-SPA protonates a dirhodium-bound enol intermediate. A true cooperative action elicited by both catalysts has been noted in the enantioselective protonation. More importantly, whether the second axial ligand on the remote rhodium atom could influence the energetic features of the reaction has been probed for the first time. In all steps (such as nitrogen extrusion, addition of amine to the dirhodium carbenoid, and the enol formation), except that in the stereocontrolling event, no major effect of axial ligation has been noticed. However, the presence of the axial ligand helps in stabilizing the protonation transition state and reduces the activation barrier for protonation, suggesting a vital role in stereoselectivity. The predicted sense of stereoselectivities is in good agreement with the experimental results.

  14. Axial Nucleon form factors from lattice QCD

    CERN Document Server

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

    2010-01-01

    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.

  15. Effective removal of heavy metals from industrial sludge with the aid of a biodegradable chelating ligand GLDA

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qing; Cui, Yanrui; Li, Qilu; Sun, Jianhui, E-mail: sunjh@htu.cn

    2015-02-11

    Highlights: • A novel readily biodegradable chelating ligand was employed to remove heavy metals. • The effects of different conditions on the extraction with GLDA were probed. • Species distribution of metals before and after extraction with GLDA was analyzed. • GLDA was effective for Cd extraction from sludge samples under various conditions. • GLDA offers special insights in the effective removal of heavy metals. - Abstract: Tetrasodium of N,N-bis(carboxymethyl) glutamic acid (GLDA), a novel readily biodegradable chelating ligand, was employed for the first time to remove heavy metals from industrial sludge generated from a local battery company. The extraction of cadmium, nickel, copper, and zinc from battery sludge with the presence of GLDA was studied under different experimental conditions such as contact times, pH values, as well as GLDA concentrations. Species distribution of metals in the sludge sample before and after extraction with GLDA was also analyzed. Current investigation showed that (i) GLDA was effective for Cd extraction from sludge samples under various conditions. (ii) About 89% cadmium, 82% nickel and 84% copper content could be effectively extracted at the molar ratio of GLDA:M(II) = 3:1 and at pH = 4, whereas the removal efficiency of zinc was quite low throughout the experiment. (iii) A variety of parameters, such as contact time, pH values, the concentration of chelating agent, stability constant, as well as species distribution of metals could affect the chelating properties of GLDA.

  16. Wiggler Effects on the Growth Rate of a Raman Free-electron Laser with Axial Magnetic Field or Ion-Channel Guiding

    CERN Document Server

    Maraghechi, Behrouz

    2004-01-01

    A relativistic theory for Raman backscattering in the beam frame of electrons is presented and is used to find the growth rate of a free-electron laser (FEL), in the Raman regime. A one dimensional helical wiggler and an axial magnetic field are considered. The effects of static self-electric and self-magnetic fields, induced by the steady-state charge density and currents of the non-neutral electron beam, are taken into account to find the steady-state trajectories. The wiggler effects on the linear dispersion relations of the space-charge wave and radiation are included in the analysis. A numerical computation is conducted to compare the growth rate of the excited waves with nonrelativistic treatment. It was found that self-field effects increase the growth rate in the group II orbits and decrease it in the group I orbits. However, the wiggler effects on growth rate are stronger and increase the growth rate on both group I and group II orbits. The discontinuity, due to the cyclotron resonance with the radia...

  17. 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.

  18. Evaluation Effects of the Short- and Long-Term Freeze-Thaw Exposure on the Axial Behavior of Concrete-Filled Glass Fiber-Reinforced-Polymer Tubes

    Directory of Open Access Journals (Sweden)

    Hend El-Zefzafy

    2013-01-01

    Full Text Available Previous studies have demonstrated the high performance of the concrete-filled fiber-reinforced polymer (FRP tubes (CFFTs as a stay-in-place formwork and confining material for concrete structures. However, there are several concerns related to the behavior of CFFT as a protective jacket against harsh environmental effects. The environmental effects such as freeze-thaw cycles and deicing salt solutions may affect materials properties, which may affect the structural response of CFFT members as well. This paper presents the test results of experimental investigation on the durability of short- and long-term behaviors of CFFT members. Test variables included the effect of confining using GFRP tubes, freeze-thaw cycles exposure in salt water, and the number of freeze-thaw cycles. CFFT cylinders (150 × 300 mm were prepared and exposed to 100 and 300 freeze-thaw cycles in salt water condition. Then, pure axial compression tests were conducted in order to evaluate the performance of specimens due to freeze-thaw exposure, by comparing the stress-strain behavior and their ultimate load capacities. Test results indicated that the confinement using CFFT technique significantly protected the concrete when subjected to freeze-thaw exposure.

  19. 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.

  20. Improving the lattice axial vector current

    Energy Technology Data Exchange (ETDEWEB)

    Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Nakamura, Y. [RIKEN Advanced Institute for Computational Science, Kobe (Japan); Perlt, H.; Schiller, A. [Leipzig Univ. (Germany). Inst. fuer Theoretische Physik; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Div.; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Zanotti, J.M. [Adelaide Univ. (Australia). CSSM, Dept. of Physics

    2015-11-15

    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.

  1. Improving the lattice axial vector current

    CERN Document Server

    Horsley, R; Perlt, H; Rakow, P E L; Schierholz, G; Schiller, A; Zanotti, J M

    2015-01-01

    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.

  2. 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 dimethylformammide (DMF) by means of potentiometry and titration calorimetry. The results presented for TPA are also compared with those already obtained for other tripodal polyamines: as a general trend the TPA ligand forms complexes less stable than 2,2',2''-triaminotriethylamine (TREN) and tris(2-(methylamino......)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...

  3. Experimental and DFT studies of solvent effects on molecular structure and physical properties of Dipyridylamine pyridine based ligand

    Science.gov (United States)

    Bilkan, Mustafa Tuğfan; Şahin, Onur; Yurdakul, Şenay

    2017-04-01

    The solvent effects on molecular structure, electronic, vibrational and thermochemical properties of 2,2‧-Dipyridylamine were investigated by using experimental and theoretical methods. 2,2‧-Dipyridylamine molecule was selected for this study intentionally because it has two pyridyl rings connected by amine bridge. This allows to change the stable equilibrium geometry, even the slightest effects. Dichloromethane was chosen as solvent. The reason for this selection is to examine whether the chlorine atoms make hydrogen bonds with the ligand atoms. For this purpose, firstly 2,2‧-Dipyridylamine solution was prepared and characterized by FT-IR and FT-Raman spectroscopy. Secondly, crystal structure of 2,2‧-Dipyridylamine was obtained to compare with the calculated geometric parameters. The crystal structure was analyzed by Single Crystal X-Ray diffraction methods. Density Functional Theory calculations were conducted with B3LYP functional and 6-31G(d) basis set. The theoretical vibrational properties of optimized geometric structure were computed in vapor and solvation phases. Two different theoretical approaches were discussed, based on the experimental results. It can be seen from the experimental and theoretical studies that the structural, vibrational, thermochemical and electronic properties are dependent on the solvent effects for selected structure. Furthermore, the chlorine atoms of Dichloromethane do not make hydrogen bonds with the ligand atoms.

  4. Analysis of the moisture effect on the mechanical behaviour of an adhesively bonded joint under proportional multi-axial loads

    OpenAIRE

    Arnaud, N.; Creac' Hcadec, R; Cognard, J. Y.; Davies, Peter; Le Gac, Pierre-Yves

    2015-01-01

    The objective of the study is to identify the 3D behaviour of an adhesive in an assembly, and to take into account the effect of ageing in a marine environment. To that end, three different tests were employed. Gravimetric analyses were used to determine the water diffusion kinetics in the adhesive. Bulk tensile tests were performed to highlight the effects of humid ageing on the adhesive behaviour. Modified Arcan tests were performed for several ageing times to obtain the experimental databa...

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

    Science.gov (United States)

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

    2008-07-01

    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.

  6. Ankylosing Spondylitis versus Nonradiographic Axial Spondyloarthritis

    DEFF Research Database (Denmark)

    Glintborg, Bente; Sørensen, Inge J; Østergaard, Mikkel

    2017-01-01

    OBJECTIVE: To compare baseline disease activity and treatment effectiveness in biologic-naive patients with nonradiographic axial spondyloarthritis (nr-axSpA) and ankylosing spondylitis (AS) who initiate tumor necrosis factor inhibitor (TNFi) treatment and to study the role of potential confounders...

  7. Wave propagation in axially moving periodic strings

    DEFF Research Database (Denmark)

    Sorokin, Vladislav S.; Thomsen, Jon Juel

    2017-01-01

    The paper deals with analytically studying transverse waves propagation in an axially moving string with periodically modulated cross section. The structure effectively models various relevant technological systems, e.g. belts, thread lines, band saws, etc., and, in particular, roller chain drive...

  8. Insight into the electronic effect of phosphine ligand on Rh catalyzed CO2 hydrogenation by investigating the reaction mechanism.

    Science.gov (United States)

    Ni, Shao-Fei; Dang, Li

    2016-02-14

    Improving the catalytic efficiency of CO2 hydrogenation is a big challenge in catalysed CO2 recycling and H2 conservation. The detailed mechanism of [Rh(PCH2X(R)CH2P)2](+) (X(R) = CH2, N-CH3, CF2) catalyzed CO2 hydrogenation is studied to obtain insights into the electronic effect of the substituents at diphosphine ligand on the catalytic efficiency. The most favorable reaction mechanism is found to be composed of three steps: (1) oxidative addition of dihydrogen onto the Rh center of the catalyst; (2) the first hydride abstraction by base from the Rh dihydride complexes; (3) the second hydride transfer from the Rh hydride complexes to CO2. It was found that the transition state for the first hydride abstraction from the Rh dihydride complex is the TOF-determining transition state (TDTS) in the most favorable mechanism. The energetic span (δE) of the cycle is suggested related to the thermodynamic hydricity of the Rh dihydride complex. Model catalyst [Rh(PCH2CF2CH2P)2](+) with a strong σ electron withdrawing group on the diphosphine ligand provides higher hydricity in the Rh dihydride complex and lower activation energy when compared with the other two catalysts. Our study shows that it is the σ electron withdrawing ability rather than the electron donating ability that enhances the catalytic efficiency in catalyzed CO2 hydrogenation. This finding will benefit ligand design in transition metal catalysts and lead to more efficient methods for CO2 transformation.

  9. DSC investigation of the effect of the new sigma ligand PPCC on DMPC lipid membrane.

    Science.gov (United States)

    Sarpietro, Maria Grazia; Accolla, Maria Lorena; Cova, Annamaria; Prezzavento, Orazio; Castelli, Francesco; Ronsisvalle, Simone

    2014-07-20

    The new sigma ligand cis-(±)-methyl (1R,2S/1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl) methyl]-1-(4-methylphenyl) cyclopropanecarboxylate [(±)-PPCC] is a promising tool for the treatment of various diseases. With the aim to investigate the absorption of (±)-PPCC by the cell membranes, in this study we evaluated the influence on thermotropic behavior of membrane model exerted by PPCC both as free base or as oxalic salt. To fulfill this purpose differential scanning calorimetry was used. The findings highlight that PPCC affects the thermodynamic parameters of phospholipids in different manner depending on whether it is in the salt or base form as well as function of the amount of drugs dispersed in the lipid matrix. The salt form of PPCC was uptaken by the membrane model faster than the free base. In addition, preliminary information on the use of a lipophilic carrier for PPCC was obtained.

  10. Axial vibration analysis of nanocones based on nonlocal elasticity theory

    Institute of Scientific and Technical Information of China (English)

    Shu-Qi Guo; Shao-Pu Yang

    2012-01-01

    Carbon nanocones have quite fascinating electronic and structural properties,whose axial vibration is seldom investigated in previous studies.In this paper,based on a nonlocal elasticity theory,a nonuniform rod model is applied to investigate the small-scale effect and the nonuniform effect on axial vibration of nanocones.Using the modified Wentzel-Brillouin-Kramers (WBK) method,an asymptotic solution is obtained for the axial vibration of general nonuniform nanorods.Then,using similar procedure,the axial vibration of nanocones is analyzed for nonuniform parameters,mode number and nonlocal parameters.Explicit expressions are derived for mode frequencies of clamped-clamped and clamped-free boundary conditions.It is found that axial vibration frequencies are highly overestimated by the classical rod model because of ignorance of the effect of small length scale.

  11. Effects of a Kind of Non-smooth Blade on the Unsteady Flow Field at the Exit of an Axial Fan

    Institute of Scientific and Technical Information of China (English)

    Hongwei MA; Jibo GUO

    2008-01-01

    An experimental investigation of effects of a kind of streamwise-grooved blade on the unsteady flow field at an exit of an axial-flow fan was performed. The flow field at 25% chord downstream from the trailing edge at hub was measured using a fast-response five-hole pressure probe at different mass-flow conditions. The unsteady flow of the grooved blades was compared with that of the smooth blades. The measurement results indicate that: (1)the grooved blades restrain the velocity fluctuation and the pressure fluctuation by modulating the blade boundary layers, which contributes to the flow loss reduction in the hub region and in the rotor wake region at the design condition; (2) the atream-wise grooves play an important role in restraining the radial migration in the blade boundary layer and abating the tip flow mixing, which contributes to the flow loss reduction in the tip region at the design condition; (3) at the near stall condition, the grooved surface can not reduce the flow loss, even increase the loss nearby when the separation happens in the blade boundary layer.

  12. Effects of a kind of non-smooth blade on the unsteady flow field at the exit of an axial fan

    Science.gov (United States)

    Hongwei, Ma; Jibo, Guo

    2008-03-01

    An experimental investigation of effects of a kind of streamwise-grooved blade on the unsteady flow field at an exit of an axial-flow fan was performed. The flow field at 25% chord downstream from the trailing edge at hub was measured using a fast-response five-hole pressure probe at different mass-flow conditions. The unsteady flow of the grooved blades was compared with that of the smooth blades. The measurement results indicate that: (1) the grooved blades restrain the velocity fluctuation and the pressure fluctuation by modulating the blade boundary layers, which contributes to the flow loss reduction in the hub region and in the rotor wake region at the design condition; (2) the stream-wise grooves play an important role in restraining the radial migration in the blade boundary layer and abating the tip flow mixing, which contributes to the flow loss reduction in the tip region at the design condition; (3) at the near stall condition, the grooved surface can not reduce the flow loss, even in-crease the loss nearby when the separation happens in the blade boundary layer.

  13. Structural bases of oxygen-sensitivity in Fe(II) complexes with tripodal ligands. Steric effects, Lewis acidity and the role of ancillary ligands.

    Science.gov (United States)

    Benhamou, Laila; Thibon, Aurore; Brelot, Lydia; Lachkar, Mohammed; Mandon, Dominique

    2012-12-21

    The complexation of Fe(SO(3)CF(3))(2) to the series of fluoro α-substituted tris-(2-aminomethylpyridyl)amine tripods F(1-3)TPA yields the triflato F(1-3)TPAFe(SO(3)CF(3))(2) complexes which have firstly been characterized in solution. As expected, bis-acetonitrile charged species are present in CH(3)CN, and neutral bis-triflato complexes in CH(2)Cl(2). The X-ray diffraction analyses of F(1)TPAFe(SO(3)CF(3))(2) and F(2)TPAFe(SO(3)CF(3))(2) crystallized from CH(2)Cl(2) solutions show that their structure in solution is retained in the solid state, with coordination of both triflate ions and the κ(4) coordination mode of the tripod in each complex. The solid state structure of the [F(2)TPAFe(NCMe)(SO(3)CF(3))](SO(3)CF(3)) complex obtained from crystallization in acetonitrile of the bis-triflato precursor is also reported. The presence of a bound triflate in the solid state is unexpected and interpreted as the result of solid-state stabilization by a metal center which displays some Lewis acidity character because of its coordination to an electron-deficient tripod. The fourth compound whose solid state structure is reported is [F(2)TPAFe(H(2)O)(2)](SO(3)CF(3))(2), fortuitously obtained after the bis-triflato precursor was handled under aerobic conditions. In CH(3)CN, all complexes are oxygen stable. The gain in stability of the bis-acetonitrile adducts is certainly responsible for the lack of reactivity of all complexes in this solvent. In CH(2)Cl(2), the parent TPAFe(SO(3)CF(3))(2) complex reacts with O(2) to yield a compound belonging to the well-known class of μ-oxo diferric compounds. Whereas F(1)TPAFe(SO(3)CF(3))(2) is poorly reactive, F(2)TPAFe(SO(3)CF(3))(2) and F(3)TPAFe(SO(3)CF(3))(2) turn out to be completely inert. This strongly contrasts with the behavior of the known F(1-3)TPAFeCl(2) complexes for which an increased reactivity is observed upon ligand substitution. In CH(2)Cl(2), conductimetry measurements indicate extremely weak (if any!) dissociation

  14. Build Axial Gradient Field by Using Axial Magnetized Permanent Rings

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Axial magnetic field produced by an axial magnetized permanent ring was studied. For two permanent rings, if they are magnetized in the same directions, a nearly uniform axial field can be produced. If they are magnetized in opposite direction,an axial gradient magnetic field can be generated, with the field range changing from -B0 to B0. A permanent magnet with a high axial gradient field was fabricated, the measured results agree with the PANDIRA calculation very well. For wider usage,it is desirable for the field gradient to be changed. Some methods to produce the variable gradient field are presented. These kinds of axial gradient magnetic field can also be used as a beam focusing for linear accelerator if the periodic field can be produced along the beam trajectory. The axial magnetic field is something like a solenoid, large stray field will leak to the outside environment if no method is taken to control them. In this paper, one method is illustrated to shield off the outside leakage field.

  15. Quantum-chemical study of the effect of ligands on the structure and properties of gold clusters

    Science.gov (United States)

    Golosnaya, M. N.; Pichugina, D. A.; Oleinichenko, A. V.; Kuz'menko, N. E.

    2017-02-01

    The structures of [Au4(dpmp)2X2]2+clusters, where X =-C≡CH,-CH3,-SCH3,-F,-Cl,-Br,-I, dpmp is bis((diphenylphosphino)methyl)(phenyl)phosphine, are calculated at the level of density functional theory with the PBE functional and a modified Dirac-Coulomb-Breit Hamiltonian in an all-electron basis set (Λ). Using the example of [Au4(dpmp)2(C≡CC6H5)2]2+, the interatomic distances and bond angles calculated by means of PBE0/LANL2DZ, TPSS/LANL2DZ, TPSSh/LANL2DZ, and PBE/Λ are compared to X-ray crystallography data. It is shown that PBE/Λ yields the most accurate calculation of the geometrical parameters of this cluster. The ligand effect on the electronic stability of a cluster and the stability in reactions of decomposition into different fragments is studied, along with the capability of ligand exchange. Stability is predicted for [Au4(dpmp)2F2]2+ and [Au4(dpmp)2(SCH3)2]2+, while [Au4(dpmp)2I2]2+ cluster is unstable and its decomposes into two identical fragments is supposed.

  16. Effect of cholinergic ligands on the lipids of acetylcholine receptor-rich membrane preparations from Torpedo californica

    Energy Technology Data Exchange (ETDEWEB)

    Martinez-Carrion, M.; Raftery, M.A.; Thomas, J.K.; Sator, V.

    1976-01-01

    Ion permeation, triggered by ligand-receptor interaction, is associated with the primary events of membrane depolarization at the neuromuscular junction and synaptic connections. To explore the possible sites of ion permeation, the long-lived fluorescent probe pyrene (fluorescence lifetime approximately 400 nsec) has been inserted into the lipid phase of acetylcholine receptor-rich membrane (AcChR-M) preparations from Torpedo californica. The pyrene probe is susceptible to both fluidity and permeability changes in the lipid bilayer. These changes are detected by variations in the rate of decay of the excited singlet state of pyrene after pulsation with a 10-nsec ruby laser flash. Variations of these lifetimes in the membrane preparations alone or in the presence of quenchers show that binding of cholinergic agonists and antagonists, neurotoxins, and local anesthetics to AcChR-M produces varying effects on the properties of the pyrene probe in the lipid phase. It is concluded that binding of cholinergic ligands to the receptor does not significantly alter the fluidity or permeability of the lipids in the bilayer in contact with pyrene. On the other hand, local anesthetics do affect these properties.

  17. Theoretical studies of molecular structure, electronic structure, spectroscopic properties and the ancillary ligand effect: A comparison of tris-chelate ML 3-type and ML 2X-type species for gallium(III) complexes with N, O-donor phenolic ligand, 2-(2-hydroxyphenyl)benzothiazole

    Science.gov (United States)

    Tong, Yi-Ping; Lin, Yan-Wen

    2011-02-01

    Two Ga(III) complexes with main ligand, 2-(2-hydroxyphenyl)benzothiazole (HL'), namely mixed-ligand ML 2X-type [GaL' 2X'] ( 1) (HX' = acetic acid, as ancillary ligand) and the meridianal tris-chelate [GaL' 3] ( 2) have been investigated by the density functional theory (DFT/TDDFT) level calculations. Both 1 and 2 can be presented as a similar "mixed-ligand ML 2X-type" species. The molecular geometries, electronic structures, metal-ligand bonding property of Ga-O (N) (main ligand), Ga-O (N) (ancillary ligand) interactions, and the ancillary ligand effect on their HOMO-LUMO gap, their absorption/emission property, and their absorption/emission wavelengths/colors for them have been discussed in detail based on the orbital interactions, the partial density of states (PDOS), and so on. The current investigation also indicates that it is quite probable that by introduction of different ancillary ligands, a series of new mixed-ligand ML 2X-type complexes for group 13 metals can be designed with their absorption/emission property and the absorption/emission wavelengths and colors being tuned.

  18. Effect of proximal contact strength on the three-dimensional displacements of implant-supported cantilever fixed partial dentures under axial loading

    Institute of Scientific and Technical Information of China (English)

    Zhen-zhen PENG; Xin-min CHEN; Jun WANG; Ai-jie LI; Zu-jie XU

    2013-01-01

    Objective:This study investigated the effect of proximal contact strength on the three-dimensional displacements of cantilever fixed partial denture (CFPD) under vertically concentrated loading with digital laser speckle (DLS) technique.Methods:Fresh mandible of beagle dog was used to establish the implant-supported CFPD for specimen.DLS technique was employed for measuring the three-dimensional displacement of the prosthesis under vertically concentrated loading ranging from 200 to 3000 g.The effect of the contact tightness on the displacement of CFPD was investigated by means of changing the contact tightness.Results:When an axial concentrated loading was exerted on the pontic of the implant-supported CFPD,the displacement of the CFPD was the greatest.The displacement of the prosthesis decreased with the increase of contact strength.When the contact strength was 0,0.95,and 3.25 N,the displacement of the buccolingual direction was smaller than that of the mesiodistal direction but greater than that of the occlusogingival direction.When the force on the contact area was 6.50 N,the mesiodistal displacement of the prosthesis was the biggest while the buccolingual displacement was the smallest.Conclusions:The implantsupported CFPD is an effective therapy for fully or partially edentulous patients.The restoration of the contact area and the selection of the appropriate contact strength can reduce the displacement of the CFPD,and get a better stress distribution.The most appropriate force value is 3.25 N in this study.

  19. Ligand field effect at oxide-metal interface on the chemical reactivity of ultrathin oxide film surface.

    Science.gov (United States)

    Jung, Jaehoon; Shin, Hyung-Joon; Kim, Yousoo; Kawai, Maki

    2012-06-27

    Ultrathin oxide film is currently one of the paramount candidates for a heterogeneous catalyst because it provides an additional dimension, i.e., film thickness, to control chemical reactivity. Here, we demonstrate that the chemical reactivity of ultrathin MgO film grown on Ag(100) substrate for the dissociation of individual water molecules can be systematically controlled by interface dopants over the film thickness. Density functional theory calculations revealed that adhesion at the oxide-metal interface can be addressed by the ligand field effect and is linearly correlated with the chemical reactivity of the oxide film. In addition, our results indicate that the concentration of dopant at the interface can be controlled by tuning the drawing effect of oxide film. Our study provides not only profound insight into chemical reactivity control of ultrathin oxide film supported by a metal substrate but also an impetus for investigating ultrathin oxide films for a wider range of applications.

  20. Laboratory model study of the effect of aeration on axial velocity attenuation of turbulent jet flows in plunge pool

    Institute of Scientific and Technical Information of China (English)

    邓军; 张法星; 田忠; 许唯临; 刘斌; 卫望汝

    2015-01-01

    In the laboratory model experiment, the velocities of the jet flow along the axis are measured, using the CQY−Z8a velocity-meter. The velocity attenuations of the jet flow along the axis under different conditions are studied. The effects of the aeration concentration, the initial jet velocity at the entry and the thickness of the jet flow on the velocity attenuation of the jet flow are analyzed. It is seen that the velocity attenuation of the jet flow along the axis sees a regular variation. It is demonstrated by the test results that under the experimental conditions, the velocity along the axis decreases linearly. The higher the air concentration is, the faster the velocity will be decayed. The absolute value of the slopeK increases with the rise of the air concentration. The relationship can be defined as=a+bKACK. The coefficientA is 0.03 under the experimental conditions. With the low air concentration of the jet flow, the thinner the jet flow is, the faster the velocity will be decayed. With the increase of the air concentra- tion, the influence of the thickness of the jet flow on the velocity attenuation is reduced. When the air concentration is increased to a certain value, the thickness of the jet flow may not have any influence on the velocity attenuation. The initial jet velocity itself at the entry has no influence on the variation of the velocity attenuation as the curves of the velocity attenuation at different velocities at the entry are practically parallel, even coinciding one with another. Therefore, improving the air concentration of the jet flow and disper- sing the jet flow in the plunge pool could reduce the influence of the jet flow on the scour.

  1. Development of catalysts and ligands for enantioselective gold catalysis.

    Science.gov (United States)

    Wang, Yi-Ming; Lackner, Aaron D; Toste, F Dean

    2014-03-18

    During the past decade, the use of Au(I) complexes for the catalytic activation of C-C π-bonds has been investigated intensely. Over this time period, the development of homogeneous gold catalysis has been extraordinarily rapid and has yielded a host of mild and selective methods for the formation of carbon-carbon and carbon-heteroatom bonds. The facile formation of new bonds facilitated by gold naturally led to efforts toward rendering these transformations enantioselective. In this Account, we survey the development of catalysts and ligands for enantioselective gold catalysis by our research group as well as related work by others. We also discuss some of our strategies to address the challenges of enantioselective gold(I) catalysis. Early on, our work with enantioselective gold-catalyzed transformations focused on bis(phosphinegold) complexes derived from axially chiral scaffolds. Although these complexes were highly successful in some reactions like cyclopropanation, the careful choice of the weakly coordinating ligand (or counterion) was necessary to obtain high levels of enantioselectivity for the case of allene hydroamination. These counterion effects led us to use the anion itself as a source of chirality, which was successful in the case of allene hydroalkoxylation. In general, these tactics enhance the steric influence around the reactive gold center beyond the two-coordinate ligand environment. The use of binuclear complexes allowed us to use the second gold center and its associated ligand (or counterion) to exert a further steric influence. In a similar vein, we employed a chiral anion (in place of or in addition to a chiral ligand) to move the chiral information closer to the reactive center. In order to expand the scope of reactions amenable to enantioselective gold catalysis to cycloadditions and other carbocyclization processes, we also developed a new class of mononuclear phosphite and phosphoramidite ligands to supplement the previously widely

  2. Does ligand-receptor mediated competitive effect or penetrating effect of iRGD peptide when co-administration with iRGD-modified SSL?

    Science.gov (United States)

    Zhang, Wei-Qiang; Yu, Ke-Fu; Zhong, Ting; Luo, Li-Min; Du, Ruo; Ren, Wei; Huang, Dan; Song, Ping; Li, Dan; Zhao, Yang; Wang, Chao; Zhang, Xuan

    2015-12-01

    Ligand-mediated targeting of anticancer therapeutic agents is a useful strategy for improving anti-tumor efficacy. It has been reported that co-administration of a tumor-penetrating peptide iRGD (CRGDK/RGPD/EC) enhances the efficacy of anticancer drugs. Here, we designed an experiment involving co-administration of iRGD-SSL-DOX with free iRGD to B16-F10 tumor bearing mice to examine the action of free iRGD. We also designed an experiment to investigate the location of iRGD-modified SSL when co-administered with free iRGD or free RGD to B16-F10 tumor bearing nude mice. Considering the sequence of iRGD, we selected the GPDC, RGD and CRGDK as targeting ligands to investigate the targeting effect of these peptides compared with iRGD on B16-F10 and MCF-7 cells, with or without enzymatic degradation. Finally, we selected free RGD, free CRGDK and free iRGD as ligand to investigate the inhibitory effect on RGD-, CRGDK- or iRGD-modified SSL on B16-F10 or MCF-7 cells. Our results indicated that iRGD targeting to tumor cells was ligand-receptor mediated involving RGD to αv-integrin receptor and CRGDK to NRP-1 receptor. Being competitive effect, the administration of free iRGD would not be able to further enhance the anti-tumor activity of iRGD-modified SSL. There is no need to co-administrate of free iRGD with the iRGD-modified nanoparticles for further therapeutic benefit.

  3. Effect of Alternative Splicing of VLDL Receptor on its Ligand Binding and Internalization Capability

    Institute of Scientific and Technical Information of China (English)

    Ying-Hong LI; Jun TIAN; Tao CHEN; Yi-Qiang ZONG; Yu WANG; Pu YANG; Shen QU

    2005-01-01

    @@ 1 Introduction Very low density lipoprotein receptor (VLDL-R) is a main receptor mediating the uptake of triglyceride-rich lipoprotein(TRL), so it is in all probability to play an important role in the development of atherosclerosis(AS). On account of alternative splicing of O-linked carbohydrate chains in extracellular fragment, VLDL-R can be classified into two isoforms: VLDL-R Ⅰ with O-linker sugar region, while VLDL-R Ⅱ without this domain[1].But so far, the difference of their function and biological significance between two isoforms, especially those of VLDL-R Ⅱ has not been clarified. In our research, ldlA7 cell strains stably expressing two isoforms of VLDL-R were obtained through gene clone technology. Binding and internalization of the natural ligands (VLDL and β-VLDL)of two types VLDL-R and their roles in the formation of foam cells were compared to clarify the difference between two isoforms of VLDL-R, and elucidate their roles in the metabolism of lipoprotein and development of AS.

  4. Ligand effects on the structural dimensionality and antibacterial activities of silver-based coordination polymers.

    Science.gov (United States)

    Lu, Xinyi; Ye, Junwei; Sun, Yuan; Bogale, Raji Feyisa; Zhao, Limei; Tian, Peng; Ning, Guiling

    2014-07-14

    Four Ag-based coordination polymers [Ag(Bim)] (1), [Ag2(NIPH)(HBim)] (2), [Ag6(4-NPTA)(Bim)4] (3) and [Ag2(3-NPTA)(bipy)0.5(H2O)] (4) (HBim = 1H-benzimidazole, bipy = 4,4'-bipyridyl, H2NIPH = 5-nitroisophthalic acid, H2NPTA = 3-/4-nitrophthalic acid) have been synthesized by hydrothermal reaction of Ag(i) salts with N-/O-donor ligands. Single-crystal X-ray diffraction indicated that these coordination polymers constructed from mononuclear or polynuclear silver building blocks exhibit three typical structure features from 1-D to 3-D frameworks. These compounds favour a slow release of Ag(+) ions leading to excellent and long-term antimicrobial activities, which is distinguished by their different topological structures, towards both Gram-negative bacteria, Escherichia coli (E. coli) and Gram-positive bacteria, Staphylococcus aureus (S. aureus). In addition, these compounds show good thermal stability and light stability under UV-vis and visible light, which are important characteristics for their further application in antibacterial agents.

  5. Human serum albumin binding to silica nanoparticles--effect of protein fatty acid ligand.

    Science.gov (United States)

    Ang, Joo Chuan; Henderson, Mark J; Campbell, Richard A; Lin, Jhih-Min; Yaron, Peter N; Nelson, Andrew; Faunce, Thomas; White, John W

    2014-06-07

    Neutron reflectivity shows that fatted (F-HSA) and defatted (DF-HSA) versions of human serum albumin behave differently in their interaction with silica nanoparticles premixed in buffer solutions although these proteins have close to the same surface excess when the silica is absent. In both cases a silica containing film is quickly established at the air-water interface. This film is stable for F-HSA at all relative protein-silica concentrations measured. This behaviour has been verified for two small silica nanoparticle radii (42 Å and 48 Å). Contrast variation and co-refinement have been used to find the film composition for the F-HSA-silica system. The film structure changes with protein concentration only for the DF-HSA-silica system. The different behaviour of the two proteins is interpreted as a combination of three factors: increased structural stability of F-HSA induced by the fatty acid ligand, differences in the electrostatic interactions, and the higher propensity of defatted albumin to self-aggregate. The interfacial structures of the proteins alone in buffer are also reported and discussed.

  6. Drug design for cardiovascular disease: the effect of solvation energy on Rac1-ligand interactions.

    Science.gov (United States)

    Maggi, Norbert; Arrigo, Patrizio; Ruggiero, Carmelina

    2011-01-01

    'OMICS' techniques have deeply changed the drug discovery process. The availability of many different potential druggable genes, generated by these new techniques, have exploited the complexity of new lead compounds screening. 'Virtual screening', based on the integration of different analytical tools on high performance hardware platforms, has speeded up the search for new chemical entities suitable for experimental validation. Docking is a key step in the screening process. The aim of this paper is the evaluation of binding differences due to solvation. We have compared two commonly used software, one of which takes into account solvation, on a set of small molecules (Morpholines, flavonoids and imidazoles) which are able to target the RAC1 protein--a cardiovascular target. We have evaluated the degree of agreement between the two different programs using a machine learning approach combined with statistical test. Our analysis, on a sample of small molecules, has pointed out that 35% of the molecules seem to be sensitive to solvation. This result, even though quite preliminary, stresses the need to combine different algorithms to obtain a more reliable filtered set of ligands.

  7. Electrocatalytic Oxidation of Formate with Nickel Diphosphane Dipeptide Complexes. Effect of Ligands Modified with Amino Acids

    Energy Technology Data Exchange (ETDEWEB)

    Galan, Brandon R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Reback, Matthew L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Jain, Avijita [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Appel, Aaron M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shaw, Wendy J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2013-09-03

    A series of nickel bis-diphosphine complexes with dipeptides appended to the ligands were investigated for the catalytic oxidation of formate. Typical rates of ~7 s-1 were found, similar to the parent complex (~8 s-1), with amino acid size and positioning contributing very little to rate or operating potential. Hydroxyl functionalities did result in lower rates, which were recovered by protecting the hydroxyl group. The results suggest that the overall dielectric introduced by the dipeptides does not play an important role in catalysis, but free hydroxyl groups do influence activity suggesting contributions from intra- or intermolecular interactions. These observations are important in developing a fundamental understanding of the affect that an enzyme-like outer coordination sphere can have upon molecular catalysts. This work was funded by the US DOE Basic Energy Sciences, Chemical Sciences, Geoscience and Biosciences Division (BRG, AJ, AMA, WJS), the US DOE Basic Energy Sciences, Physical Bioscience program (MLR). Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  8. Effectiveness of Adalimumab in Non-radiographic Axial Spondyloarthritis: Evaluation of Clinical and Magnetic Resonance Imaging Outcomes in a Monocentric Cohort.

    Science.gov (United States)

    Cantarini, Luca; Fabbroni, Marta; Talarico, Rosaria; Costa, Luisa; Caso, Francesco; Cuneo, Gian Luca; Frediani, Bruno; Faralli, Gabriele; Vitale, Antonio; Brizi, Maria Giuseppina; Sabadini, Luciano; Galeazzi, Mauro

    2015-07-01

    The primary aim of the study was to evaluate the long-term effectiveness of adalimumab (ADA) in a cohort of non-radiographic axial spondyloarthritis (nr-axSpA), and the secondary aims were to identify predictive factors of response and evaluate radiological progression.We evaluated 37 patients (male/female: 12/25; mean age 49 ± 14; mean disease duration: 6.3 ± 5.8) with active nr-axSpA (Assessment of SpondyloArthritis International Society criteria), despite the treatment with ≥1 nonsteroidal anti-inflammatory drug for at least 3 months, initiating the treatment with ADA 40 mg every other week. Patients were treated for 24 months, and evaluated at baseline, 6, 12, and 24 months. Outcome measures included Ankylosing Spondylitis Disease Activity Score, Bath Ankylosing Spondylitis Disease Activity Index (BASDAI), and Bath Ankylosing Spondylitis Functional Index. Radiograph of the spine and sacroiliac joints and magnetic resonance of the sacroiliac joints were performed at baseline and according to the standard of assessment for the disease.The proportion of patients that achieved a BASDAI50 response at 6, 12 and 24 months was 51.3%, 70.3%, and 76.8%, respectively. Treatment was well tolerated with no unexpected adverse events and/or serious adverse events. All patients remained on treatment for 2 years, with a good compliance. We did not identify any predictive factor of response to therapy. Moreover, modified Stoke Ankylosing Spondylitis Spine Score and Spondyloarthritis Research Consortium of Canada scores showed a trend of improvement during the study period.ADA was effective on clinical and radiological outcomes at 2-year follow-up; thus, early treatment with ADA may prevent radiographic damage and be associated with low disease activity or remission. Moreover, data from this cohort study have confirmed safety and tolerability profile of ADA in nr-axSpA in the long term.

  9. EDGE EFFECTS OF FIBER-ENFORCED COMPOSITE LAMINATES UNDER UNIFORM AXIAL STRAIN%复合材料多层板边缘效应起因分析

    Institute of Scientific and Technical Information of China (English)

    佟景伟; P.Priolo; 等

    2001-01-01

    为分析引起复合材料多层板自由边沿效应与端部效应的物理因素,分别研究了弹性模量、泊松比和上下两层材料主轴方向夹角对自由边沿效应的影响,给出了相应的三维有限元层间应力解及其三维分布图.结果表明,弹性模量和上下两层材料主轴方向夹角使层合板上下两层变形不一致,引起多层板自由边沿效应与端部效应,其泊松比是直接影响因素.%To study the edge effects of fiber-enforced composite laminatesunder uniform axial strain,influences of elastic modulus,Poisson ratio and the angle between the material axes of the two adjacent layers on the stress distribution are analyzed.The three-dimensional finite element interlaminar stress solutions of cross-ply and angle-ply laminates and their three dimensional distrrbution-plots are presented.The results demonstrate that the elastic modulus and angle of the adjacent material axes are direct elements of edge effects of the composite laminates.Furthermore,Poisson ratio is the elementary cause of these phenomena.

  10. Effects of ifenprodil on the antidepressant-like activity of NMDA ligands in the forced swim test in mice.

    Science.gov (United States)

    Poleszak, Ewa; Wośko, Sylwia; Serefko, Anna; Szopa, Aleksandra; Wlaź, Aleksandra; Szewczyk, Bernadeta; Nowak, Gabriel; Wlaź, Piotr

    2013-10-01

    Multiple pre-clinical and clinical studies clearly displayed implication of the NMDA receptors in development of depressive disorders since a variety of NMDA receptor antagonists exhibit an antidepressant-like effect. The main aim of our study was to assess the influence of ifenprodil - an allosteric modulator selectively binding at the NR2B subunit on the performance in the forced swim test in mice of various NMDA receptor ligands interacting with distinct components of the NMDA receptor complex. Ifenprodil at a dose of 10mg/kg enhanced the antidepressant-like effect of CGP 37849 (a competitive NMDA receptor antagonist, 0.312mg/kg), L-701,324 (an antagonist at glycine site, 1mg/kg), MK-801 (a non-competitive antagonist, 0.05mg/kg) and d-cycloserine (a partial agonist of a glycine site, 2.5mg/kg) but it did not shorten the immobility time of animals which concurrently received an inorganic modulator of the NMDA receptor complex, such as Zn(2+) (2.5mg/kg) or Mg(2+) (10mg/kg). On the other hand, the antidepressant-like effect of ifenprodil (20mg/kg) was reversed by N-methyl-d-aspartic acid (an agonist at the glutamate site, 75mg/kg) or d-serine (an agonist at the glycine site, 100nmol/mouse). In conclusion, the antidepressant-like potential of ifenprodil given concomitantly with NMDA ligands was either reinforced (in the case of both partial agonist and antagonists, except for magnesium and zinc) or diminished (in the case of conventional full agonists).

  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. Enhancement effect of some phosphorylated compounds on fluorescence of quinazoline-based chelating ligand complexed with gallium ion

    Energy Technology Data Exchange (ETDEWEB)

    Kimura, Junko; Yamada, Hiroshi; Yajima, Takehiko [Department of Analytical Chemistry, Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi-shi, Chiba 274-8510 (Japan); Fukushima, Takeshi, E-mail: t-fukushima@phar.toho-u.ac.j [Department of Analytical Chemistry, Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi-shi, Chiba 274-8510 (Japan)

    2009-11-15

    The chelating ligand, 2,4-[bis-(2,4-dihydroxybenzylidene)]-dihydrazinoquinazoline (DBHQ) can form a fluorescence complex with Ga{sup 3+} ions. The fluorescence intensity of the obtained DBHQ-Ga{sup 3+} complex increases in the presence of some phosphorylated compounds. The addition of phosphorylated serine and tyrosine, pyridoxal-5'-phosphate (PLP), and glucose-6-phosphate (G6P) leads to an increase in the fluorescence quantum yield (phi) of the complex by 1.38-1.59 times, while the addition of serine, tyrosine, pyridoxal, and glucose leads to a small increase in phi (1.02-1.04). This is the first report on the fluorescence enhancement effect of phosphorylated compounds on a Ga{sup 3+} ion complex.

  14. Effects of active immunisation with myelin basic protein and myelin-derived altered peptide ligand on pain hypersensitivity and neuroinflammation.

    Science.gov (United States)

    Perera, Chamini J; Lees, Justin G; Duffy, Samuel S; Makker, Preet G S; Fivelman, Brett; Apostolopoulos, Vasso; Moalem-Taylor, Gila

    2015-09-15

    Neuropathic pain is a debilitating condition in multiple sclerosis and experimental autoimmune encephalomyelitis (EAE). Specific myelin basic protein (MBP) peptides are encephalitogenic, and myelin-derived altered peptide ligands (APLs) are capable of preventing and ameliorating EAE. We investigated the effects of active immunisation with a weakly encephalitogenic epitope of MBP (MBP87-99) and its mutant APL (Cyclo-87-99[A(91),A(96)]MBP87-99) on pain hypersensitivity and neuroinflammation in Lewis rats. MBP-treated rats exhibited significant mechanical and thermal pain hypersensitivity associated with infiltration of T cells, MHC class II expression and microglia activation in the spinal cord, without developing clinical signs of paralysis. Co-immunisation with APL significantly decreased pain hypersensitivity and neuroinflammation emphasising the important role of neuroimmune crosstalk in neuropathic pain.

  15. Influence of axial coordination on the photophysical property of excited state of zinc porphyrin

    Institute of Scientific and Technical Information of China (English)

    FENG; Juan; (冯娟); ZHANG; Huijuan; (张慧娟); XIANG; Junfeng; (向俊峰); AI; Xicheng; (艾希成); ZHANG; Xingkang; (张兴康); XU; Guangzhi; (徐广智); ZHANG; Jianping; (张建平)

    2003-01-01

    The effect of axial ligand 4-N,N-dimethyl aminopyridine (DMAP) on the fluorescence property of the second singlet excited state (S2) and first singlet excited state (S1) of 5,10,15, 20-tetra(p-methoxyl)phenyl zinc porphyrin has been investigated using steady-state absorption, fluorescence spectroscopy and picosecond time-resolved fluorescence spectroscopy. Hot fluorescence is clearly observed and is then reasonably assigned to the higher vibronic level from S1 state. A further analysis of fluorescence kinetics results shows that the coordination of DMAP to the zinc ion results in a decrease of hot fluorescence lifetime and an increase of the relative content of hot fluorescence. Similar phenomenon was observed with respects to S1 fluorescence upon the addition of DMAP in toluene. For a complete understanding of such an effect, a possible mechanism has been put forward and discussed in detail.

  16. Effects of KIR ligand incompatibility on clinical outcomes of umbilical cord blood transplantation without ATG for acute leukemia in complete remission.

    Science.gov (United States)

    Tanaka, J; Morishima, Y; Takahashi, Y; Yabe, T; Oba, K; Takahashi, S; Taniguchi, S; Ogawa, H; Onishi, Y; Miyamura, K; Kanamori, H; Aotsuka, N; Kato, K; Kato, S; Atsuta, Y; Kanda, Y

    2013-11-29

    To clarify the effect of killer cell immunoglobulin-like receptor (KIR) ligand incompatibility on outcomes of acute myeloid leukemia (AML) and acute lymphoblastic leukemia (ALL) patients in complete remission after single cord blood transplantation (CBT), we assessed the outcomes of CBT registered in the Japan Society for Hematopoietic Cell Transplantation (JSHCT) database. A total of 643 acute leukemia (357 AML and 286 ALL) patient and donor pairs were categorized according to their KIR ligand incompatibility by determining whether or not they expressed HLA-C, Bw4 or A3/A11 by DNA typing. A total of 128 patient-donor pairs were KIR ligand-incompatible in the graft-versus-host (GVH) direction and 139 patient-donor pairs were incompatible in the host-versus-graft (HVG) direction. Univariate and multivariate analyses showed no significant differences between the KIR ligand-incompatible and compatible groups in the GVH direction for both AML and ALL patients of overall survival, disease-free survival, relapse incidence, non-relapse mortality and acute GVH disease. However, KIR incompatibility in the HVG direction ameliorated engraftment in ALL patients (hazard ratio 0.66, 95% confidence interval 0.47-0.91, P=0.013). Therefore, there were no effects of KIR ligand incompatibility in the GVH direction on single CBT outcomes for acute leukemia patients without anti-thymocyte globulin use. However, it is necessary to pay attention to KIR incompatibility in the HVG direction for engraftment.

  17. The anomalous transport of axial charge: topological vs non-topological fluctuations

    CERN Document Server

    Iatrakis, Ioannis; Yin, Yi

    2015-01-01

    Axial charge imbalance is an essential ingredient in novel effects associated with chiral anomaly such as chiral magnetic effects (CME). In a non-Abelian plasma with chiral fermions, local axial charge can be generated a) by topological fluctuations which would create domains with non-zero winding number b) by conventional non-topological thermal fluctuations. We provide a holographic evaluations of medium's response to dynamically generated axial charge density in hydrodynamic limit and examine if medium's response depends on the microscopic origins of axial charge imbalance. We show a local domain with non-zero winding number would induce a non-dissipative axial current due to chiral anomaly. We illustrate holographically that a local axial charge imbalance would be damped out with the damping rate related to Chern-Simon diffusive constant. By computing chiral magnetic current in the presence of dynamically generated axial charge density, we found that the ratio of CME current over the axial charge density ...

  18. Experimental studies of axial magnetic fields generated in ultrashort-pulse laser-plasma interaction

    Institute of Scientific and Technical Information of China (English)

    李玉同; 张杰; 陈黎明; 赵理曾; 夏江帆; 魏志义; 江文勉

    2000-01-01

    The quasistatic axial magnetic fields in plasmas produced by ultrashort laser pulses were measured by measuring the Faraday rotation angle of the backscattered emission. The spatial distribution of the axial magnetic field was obtained with a peak value as high as 170 Tesla. Theory suggests that the axial magnetic field is generated by dynamo effect in laser-plasma interaction.

  19. 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.

  20. 亲和膜配基的结构和密度对胆红素吸附的影响%Effect of ligand composition and ligand density of affinity membrane on bilirubin removal

    Institute of Scientific and Technical Information of China (English)

    鞠佳; 聂飞; 段志军; 贺高红

    2013-01-01

    High concentration of bilirubin may cause neurotoxicity, permanent brain damage, and even death in severe cases. It is difficult to remove bilirubin from serum by circulated adsorption, because bilirubin can be tightly bound with albumin as a complex in human serum. The albumin in the complex has a larger volume than that of bilirubin, which results in high steric hindrance of adsorption or displacement of bilirubin. In order to enhance serum bilirubin adsorption capacity, five kinds of amines and eight kinds of amino acids as specific ligands were immobilized on cellulose acetate (CA) /polyethyleneimine (PEI) membrane via the glutaraldehyde modification method. Experimental results indicated that although the primary amine contents of modified membranes were only one third of CA/PEI membrane, bilirubin adsorption capacities of four kinds of modified membranes increased by more than 100%. Moreover, the adsorption selectivity of the four modified membranes for bilirubin/human albumin pair was greater than that of CA/ PEI membrane. Prolongation of the spacer and immobilization of specific ligand could be the cause of such results. Ligand composition had a significant influence on bilirubin adsorption capacity. The ligands containing hydrophobic and primary amino groups could enhance bilirubin adsorption capacity, and the ligands with carboxyl radicals could decrease bilirubin adsorption capacity of the modified membrane. Moreover, ligand density, ligand steric hindrance, and other factors could also influence bilirubin adsorption capacity. In the experiments, the ligands containing high steric hindrance groups, such as phenyl groups had a negative effect on bilirubin adsorption capacity of the modified membrane, and its bilirubin adsorption capacity could not be enhanced via increasing ligand density. However, bilirubin adsorption capacity of the membrane modified with low steric hindrance ligand, for example hexamethylene-diamine (3-HMD) -modified membrane

  1. Ligand effects on the structure and magnetic properties of alternating copper(II) chains with 2,2'-bipyrimidine- and polymethyl-substituted pyrazolates as bridging ligands.

    Science.gov (United States)

    Castro, Isabel; Calatayud, M Luisa; Barros, Wdeson P; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni

    2014-06-02

    A novel series of heteroleptic copper(II) compounds of formulas {[Cu2(μ-H2O)(μ-pz)2(μ-bpm)(ClO4)(H2O)]ClO4·2H2O}n (1), {[Cu2(μ-H2O)(μ-3-Mepz)2(μ-bpm)](ClO4)2·2H2O}n (2), and {[Cu2(μ-OH)(μ-3,5-Me2pz)(μ-bpm)(H-3,5-Me2pz)2](ClO4)2}n (3) [bpm = 2,2'-bipyrimidine, Hpz = pyrazole, H-3-Mepz = 3-methylpyrazole, and H-3,5-Me2pz = 3,5-dimethylpyrazole] have been synthesized and structurally characterized by X-ray diffraction methods. The crystal structures of 1 and 2 consist of copper(II) chains with regular alternating bpm and bis(pyrazolate)(aqua) bridges, whereas that of 3 is made up of copper(II) chains with regular alternating bpm and (pyrazolate)(hydroxo) bridges. The copper centers are six- (1) or five-coordinate (2) in axially elongated, octahedral (1) or square-pyramidal (2) environments in 1 and 2, whereas they are five-coordinate in distorted trigonal-bipyramidal surroundings in 3. The values of the copper-copper separations across the bpm/pyrazolate bridges are 5.5442(7)/3.3131(6) (1), 5.538(1)/3.235(1) (2), and 5.7673(7)/3.3220(6) Å (3). The magnetic properties of 1-3 have been investigated in the temperature range of 25-300 K. The analysis of their magnetic susceptibility data through the isotropic Hamiltonian for an alternating antiferromagnetic copper(II) chain model [H = -J∑i=1-n/2 (S2i·S2i-1 + αS2i·S2i+1), with α = J'/J and Si = SCu = 1/2] reveals the presence of a strong to moderate antiferromagnetic coupling through the bis(pyrazolate)(aqua) [-J = 217 (1) and 215 cm(-1) (2)] and (pyrazolate)(hydroxo) bridges [-J = 153 cm(-1) (3)], respectively, whereas a strong to weak antiferromagnetic coupling occurs through the bis-bidentate bpm [-J' = 211 (1), 213 (2), and 44 cm(-1) (3)]. A simple orbital analysis of the magnetic exchange interaction within the bpm- and pyrazolate-bridged dicopper(II) fragments of 1-3 visualizes the σ-type pathways involving the (dx(2)-y(2)) (1 and 2) or d(z(2)) (3) magnetic orbitals on each metal ion, which account

  2. 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…

  3. 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

  4. Modeling the effect of unsteady flows on the time average flow field of a blade row embedded in an axial flow multistage turbomachine

    Science.gov (United States)

    Adamczyk, John J.

    1996-01-01

    The role of unsteady flow processes in establishing the performance of axial flow turbomachinery was investigated. The development of the flow model, as defined by the time average flow equations associated with the passage of the blade row embedded in a multistage configuration, is presented. The mechanisms for unsteady momentum and energy transport is outlined. The modeling of the unsteady momentum and energy transport are discussed. The procedure for simulating unsteady multistage turbomachinery flows is described.

  5. The Effects of 910-MHz Electromagnetic Field on Rat Cranial Arachnoid and Dura Mater Collagen. The Axial Periodicity of Collagen Fibrils

    Directory of Open Access Journals (Sweden)

    Margaret Tzaphlidou

    2004-01-01

    Full Text Available The axial periodicity of rat arachnoid and dura mater collagen fibrils exposed to 910 MHz for 2 h/day for 30 consecutive days was measured by means of image analysis of electron-optical data. Such measurements were compared with those from sham-exposed animals. These measurements reveal that on exposure, the intermolecular interactions during collagen fibril assembly are affected.

  6. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Cochlan, William P.

    2008-06-13

    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.

  8. EFFECTS OF SYNTETIC CANNABINOID RECEPTOR LIGANDS WIN 55.212-2 AND ANANDAMID UPON IN VITRO ACTIVITY OF IMMUNOCOMPETENT CELLS

    Directory of Open Access Journals (Sweden)

    E. G. Lobanova

    2009-01-01

    Full Text Available Abstract. Ability of cannabinoid receptor ligands WIN 55.212-2 and anandamid to inhibit synthesis of TNFα and IL-8 was studied in healthy donors and men with allergic disorders. To establish mechanism of action for investigated substances, the selective antagonists of the СВ1-receptor (SR141716A and for СВ2 - receptor (SR144528 were applied. Studies with whole blood dilutions allowed of approximating in vivo conditions when investigating biological properties of WIN-55.212-2 and anandamid. The synthetic cannabinoids WIN - 55.212-2 and anandamid at a concentration of 3-10 μМ were capable of reducing synthesis of TNFα and IL-8 in lipopolysaccharide-stimulated blood leukocytes, both from healthy donors and subjects with allergic disorders. It was revealed that the antagonist of СВ1-receptor (SR141716A did not exert a receptor-mediated effect for WIN-55.212-2 and anandamid. Meanwhile, a СВ2-receptor antagonist (SR144528 entirely eliminated completely the blocking effect of anandamid and WIN-55.212-2.

  9. Effective removal of heavy metals from industrial sludge with the aid of a biodegradable chelating ligand GLDA.

    Science.gov (United States)

    Wu, Qing; Cui, Yanrui; Li, Qilu; Sun, Jianhui

    2015-01-01

    Tetrasodium of N,N-bis(carboxymethyl) glutamic acid (GLDA), a novel readily biodegradable chelating ligand, was employed for the first time to remove heavy metals from industrial sludge generated from a local battery company. The extraction of cadmium, nickel, copper, and zinc from battery sludge with the presence of GLDA was studied under different experimental conditions such as contact times, pH values, as well as GLDA concentrations. Species distribution of metals in the sludge sample before and after extraction with GLDA was also analyzed. Current investigation showed that (i) GLDA was effective for Cd extraction from sludge samples under various conditions. (ii) About 89% cadmium, 82% nickel and 84% copper content could be effectively extracted at the molar ratio of GLDA:M(II)=3:1 and at pH=4, whereas the removal efficiency of zinc was quite low throughout the experiment. (iii) A variety of parameters, such as contact time, pH values, the concentration of chelating agent, stability constant, as well as species distribution of metals could affect the chelating properties of GLDA.

  10. 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.

  11. Active axial spondyloarthritis: potential role of certolizumab pegol

    Directory of Open Access Journals (Sweden)

    Ranatunga S

    2014-02-01

    Full Text Available Sriya Ranatunga, Anne V Miller Department of Internal Medicine, Southern Illinois University School of Medicine, Springfield, IL, USA Abstract: The axial spondyloarthropathies are a group of chronic inflammatory diseases that predominantly affect the axial joints. This group includes ankylosing spondylitis and nonradiographic axial spondyloarthropathy. While the pathogenesis of axial spondyloarthropathies is not clear, immunologically active tissues primarily include the entheses, ie, the areas where ligaments, tendons, and joint capsules attach to bone and to the annulus fibrosis at the vertebrae. One of the major mediators of the immune response in this group of diseases is tumor necrosis factor-alpha (TNFα. Blockade of TNFα results in reduced vascularity and inflammatory cell infiltration in the synovial tissues of affected joints. Certolizumab pegol (CZP is an Fc-free, PEGylated anti-TNFα monoclonal antibody. CZP has unique properties that differ from other available TNFα inhibitors by virtue of its lack of an Fc region, which minimizes potential Fc-mediated effects, and its PEGylation, which improves drug pharmacokinetics and bioavailability. It has been shown in clinical trials that CZP improves patient outcomes and reduces inflammation in the sacroiliac joints and spine in both ankylosing spondylitis and nonradiographic axial spondyloarthropathies. These data support CZP as a treatment option for axial spondyloarthropathies. Keywords: axial spondyloarthropathy, certolizumab pegol, anti-tumor necrosis factor-alpha, therapy

  12. Two new dysprosium–organic frameworks contaning rigid dicarboxylate ligands: Synthesis and effect of solvents on the luminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Huijie; Fan, Ruiqing, E-mail: fanruiqing@hit.edu.cn; Chen, Wei; Zheng, Xubin; Li, Kai; Wang, Ping; Yang, Yulin

    2013-11-15

    Two new two–dimensional (2D) dysprosium coordination polymers [Dy(2,4′-bpdc)(DMF){sub 2}(NO{sub 3})]{sub n} (1) and {[Dy(2,4′–bpdc)(1,4-BDC)_0_._5(DMF)(H_2O)]·1.5H_2O}{sub n} (2) (2,4′-H{sub 2}bpdc=2,4′–biphenyldicarboxylic acid, 1,4-H{sub 2}BDC=1,4–benzenedicarboxylic acid, DMF=N,N′-dimethylformamide) were synthesized under solvothermal condition and stucturally characterized by means of single-crystal X-ray diffraction, IR spectroscopy, and elemental analysis. Single-crystal X-ray analysis revealed that the two coordination polymers possess two types of 2D layered structures. From the viewpoint of network topology, the structures of 1 and 2 can be simplified as (4,4) network. We discuss the effect of solvents and temperature on luminescence properties. The fluorescence spectra of 1 at room temperature and 77 K in the solid-state are almost the same, except the stronger emission intensities derived from ligand–centered at 77 K. It is because the quenching by O3H oscillators was protected at low temperature. Coordination polymer 2 displays characteristic Dy{sup 3+} ion yellow–green luminescence under 290 nm excitation in DMSO (dimethyl sulfoxide), CH{sub 3}CN, and CH{sub 3}OH solvents. The fluorescence intensities of 2 increased in the order of DMSO>CH{sub 3}CN>CH{sub 3}OH. We also studied the fluorescence lifetimes of 1 and 2, and the results revealed that the lifetime in DMSO solvent at room temperature reached to 9.53 μs. Compared with the dysprosium coordination polymers, coordination polymer 2 presents a longer lifetime. Additionally, we calculate the triplet state T{sub 1} datum from the emission spectrum of the Gd{sup 3+} coordination polymer and discuss the energy transfer mechanisms. The energy transfer process from the lowest triplet state energy level of 2,4′-H{sub 2}bpdc ligand to the {sup 4}F{sub 9/2} state energy level of Dy{sup 3+} ion is inefficient for both 1 and 2. The energy transfer process is effective after we

  13. Photophysical properties of catechol axially substituted tetra-α-(pentyloxy) titanium (IV) phthalocyanine

    Science.gov (United States)

    Yu, Xinxin; Lin, Ting; Lv, Huafei; Pan, Sujuan; Wu, Shijun; Zeng, Di; Jiang, Yufeng; Wang, Yuhua; Yang, Hongqin; Huang, Yide; Peng, Yiru

    2016-10-01

    Metal phthalocyanines (MPcs) have been found to be a promising photosensitizers for photodynamic therapy (PDT) of cancers and non-cancer diseases. Nevertheless, phthalocyanines are substantially limited in clinical applications owing to their poor solubility, aggregation and insufficient selectivity for cancer cells. Catechol is an important pharmaceutical intermediate, playing important in vivo biological activity in medicine. Using catechol (pyrocatechin) as axial ligands, utilizing of the pharmaceutical effect of catechins, could improve the bioavailability, and achieve synergistic therapeutic effect in PDT. To address these issues, a novel catechol axially substituted tetra-α-(pentyloxy) titanium(IV) (TiPc(OC5H11)4-Catechol) was synthesized. The structure of TiPc(OC5H11)4-Catechol was characterized by elemental analysis, IR, 1HNMR and MS methods. The photophysical properties of TiPc(OC5H11)4 and TiPc(OC5H11)4-Catechol have been studied by UV/Vis and steady-state fluorescence spectra. After being axially substituted with catechin groups, no obviously intensity and position of maximum wavelength in Q-band of TiPc(OC5H11)4 and TiPc(OC5H11)4-Catechol were observed. The fluorescence intensity of TiPc(OC5H11)4 was stronger than that of TiPc(OC5H11)4-Catechol, but the fluorescence lifetime of TiPc(OC5H11)4-Catechol was longer than that of TiPc(OC5H11)4. TiPc(OC5H11)4-Catechol may be considered as a promising photosensitizer for PDT.

  14. The Effect of Hg(II) on the Optical Characteristics of Cycloiridated 2-Phenylbenzothiazole Complexes with Chelating Ligands Containing Sulfur Donor Atoms

    Science.gov (United States)

    Katlenok, E. A.; Balashev, K. P.

    2016-03-01

    The [Ir(bt)2(S^S)], [Ir(bt)2(S^N)], and [Ir(bt)2(CH3CN)2]PF6 complexes, where (bt)- is a deprotonated form of 2-phenylbenzothiazole and (S^S)- and (S^N)- are diethyldithiocarbamate, O-ethyldithiocarbonate, 2-mercaptobenzothiazolate, 2-mercaptobenzoxazolate, and 2-mercaptopyridinate ions, and the effect of Hg(II), Cu(II), Cd(II), and Zn(II) cations on the optical characteristics of these complexes are studied by electron absorption spectroscopy and emission spectroscopy. A hypsochromic shift of the absorption and phosphorescence bands of complexes in substituting the (S^S)- and (S^N)- chelating ligands with acetonitrile ligands is attributed to a lower energy of d Ir orbitals compared with the mixed d Ir/ p(S) orbitals. It is shown that the presence of Hg(II) cations results in a hypsochromic shift of the absorption and phosphorescence bands of complexes [Ir(bt)2(S^S)] and [Ir(bt)2(S^N)] because of an effective reaction of substitution of chelating ligands to acetonitrile ligands.

  15. Axial Current and Noether Charge

    CERN Document Server

    Mahato, Prasanta

    2012-01-01

    A decade ago, a Lagrangian density has been proposed by the author where only the local symmetries of the Lorentz subgroup of (A)ds group is retained. This formalism has been found to produce some results encompassing that of standard Einstein-Hilbert formalism. In the present article, the conserved axial vector matter currents, constructed in some earlier paper, have been found to be a result of Noether's theorem. PACS: 04.20.Fy, 04.20.Cv, 11.40.-q Keywords: Torsion, Axial Current, Noether's Theorem

  16. Relativistic RPA in axial symmetry

    CERN Document Server

    Arteaga, D Pena; 10.1103/PhysRevC.77.034317

    2009-01-01

    Covariant density functional theory, in the framework of self-consistent Relativistic Mean Field (RMF) and Relativistic Random Phase approximation (RPA), is for the first time applied to axially deformed nuclei. The fully self-consistent RMF+RRPA equations are posed for the case of axial symmetry and non-linear energy functionals, and solved with the help of a new parallel code. Formal properties of RPA theory are studied and special care is taken in order to validate the proper decoupling of spurious modes and their influence on the physical response. Sample applications to the magnetic and electric dipole transitions in $^{20}$Ne are presented and analyzed.

  17. Photocontrol over cooperative porphyrin self-assembly with phenylazopyridine ligands.

    Science.gov (United States)

    Hirose, Takashi; Helmich, Floris; Meijer, E W

    2013-01-02

    The cooperative self-assembly of chiral zinc porphyrins is regulated by a photoresponsive phenylazopyridine ligand. Porphyrin stacks depolymerize into dimers upon axial ligation and the strength of the coordination is regulated by its photoinduced isomerization, which shows more than 95 % conversion ratio for both photostationary states.

  18. Quantum effects in cation interactions with first and second coordination shell ligands in metalloproteins.

    Science.gov (United States)

    Ngo, Van; da Silva, Mauricio C; Kubillus, Maximilian; Li, Hui; Roux, Benoît; Elstner, Marcus; Cui, Qiang; Salahub, Dennis R; Noskov, Sergei Yu

    2015-10-13

    Despite decades of investigations, the principal mechanisms responsible for the high affinity and specificity of proteins for key physiological cations K(+), Na(+), and Ca(2+) remain a hotly debated topic. At the core of the debate is an apparent need (or lack thereof) for an accurate description of the electrostatic response of the charge distribution in a protein to the binding of an ion. These effects range from partial electronic polarization of the directly ligating atoms to long-range effects related to partial charge transfer and electronic delocalization effects. While accurate modeling of cation recognition by metalloproteins warrants the use of quantum-mechanics (QM) calculations, the most popular approximations used in major biomolecular simulation packages rely on the implicit modeling of electronic polarization effects. That is, high-level QM computations for ion binding to proteins are desirable, but they are often unfeasible, because of the large size of the reactive-site models and the need to sample conformational space exhaustively at finite temperature. Several solutions to this challenge have been proposed in the field, ranging from the recently developed Drude polarizable force-field for simulations of metalloproteins to approximate tight-binding density functional theory (DFTB). To delineate the usefulness of different approximations, we examined the accuracy of three recent and commonly used theoretical models and numerical algorithms, namely, CHARMM C36, the latest developed Drude polarizable force fields, and DFTB3 with the latest 3OB parameters. We performed MD simulations for 30 cation-selective proteins with high-resolution X-ray structures to create ensembles of structures for analysis with different levels of theory, e.g., additive and polarizable force fields, DFTB3, and DFT. The results from DFT computations were used to benchmark CHARMM C36, Drude, and DFTB3 performance. The explicit modeling of quantum effects unveils the key

  19. Effects of halides and related ligands on reactions of carbonylruthenium complexes (RU{sup O}-RU{sup II})

    Energy Technology Data Exchange (ETDEWEB)

    Lavigne, G. [Laboratoire de Chimie de Coordination du CNRS, 31 - Toulouse (France)

    1999-06-01

    While the primary motivation of fundamental studies on carbonylhalotriruthenium complexes was to understand the promoter effect of halides on certain ruthenium-based catalytic systems of industrial relevance, such complexes have gained significance in their own right due to their remarkable ability to provide low-activation energy pathways for the coordination of organic substrates. Limitations inherent to the fragility of these prototypes led to the design and development of a related family of more sophisticated derivatives where an aminopyridyl group serves as an alternate hemilabile ancillary ligand. Studies of their reactivity have revealed the possibility of achieving a number of stoichiometric or moderately catalytic `cluster-mediated` transformations of organic substrates under very mild conditions. Yet, the viability of these systems is still limited to a narrow low-energy domains. By contrast, halotriruthenium derivatives are still seen to function as catalyst precursors under the actual conditions of certain catalytic reactions where they act as sources of ruthenium(II) halide complexes that become the active components of the system. The second part of the review focuses on novel aspects of their fascinating chemistry. (orig.)

  20. Reproducibility over time and effect of low-dose aspirin on soluble P-selectin and soluble CD40 ligand.

    Science.gov (United States)

    Valdes, Vanessa; Nardi, Michael A; Elbaum, Lindsay; Berger, Jeffrey S

    2015-07-01

    Platelet markers [soluble CD40 ligand (sCD40L) and soluble p selectin (sPselectin)] are associated with platelet activation and cardiovascular events. We sought to investigate the reproducibility of these markers over time and the effect of low-dose aspirin on sCD40L and sPselectin in plasma and serum. Following an overnight fast, 40 healthy volunteers had weekly phlebotomy and were administered aspirin 81 mg/day between weeks 3 and 4. Reproducibility over time was assessed by coefficient of variation (CV) and inter-class correlation coefficient. Correlation between markers was assessed using Pearson r statistic. Difference between levels pre- and post-aspirin was measured with Wilcoxon signed-rank test. Data are presented as median (interquartile range). sCD40L and sPselectin measurements were reproducible over time in plasma and serum (CV < 10 %). Measurement of sCD40L and sPselectin in plasma correlated with levels in serum before aspirin and after aspirin. There was no significant correlation between sCD40L and sPselectin. After 1-week of aspirin 81 mg/day, there was a reduction in sCD40L and sPselectin in serum and plasma, respectively. Soluble CD40L and sPselectin are independent markers that are reproducible over time in both plasma and sera and are reduced by 1-week of low-dose aspirin.

  1. Effect of cisplatin alone or combined with monoclonal anti-programmed death ligand-1 anti-body on lung adenocarcinoma cell line SPCA-1 and T lymphocytes

    Institute of Scientific and Technical Information of China (English)

    潘雪

    2014-01-01

    Objective To observe the effect of cisplatin alone or combined with anti-programmed death ligand 1 monoclonal antibody(anti-PD-L1 mA b)on the co-culture system of lung adenocarcinoma SPCA-1 cells and T lymphocytes,and therefore to study the immunotherapeutic effect of anti-PD-L1 mA b on lung cancer.Methods Human adenocarcinoma SPCA-1 cell line was selected by

  2. Application of the wavelet transforms on axial strain calculation in ultrasound elastography

    Institute of Scientific and Technical Information of China (English)

    LUO Jianwen; BAI Jing; SHAO Jinhua

    2006-01-01

    In ultrasound elastography, the axial strain distribution within biological tissues is calculated as the numerical derivative (differentiation) of the estimated axial displacement field. Unfortunately, the numerical derivative is unstable because it can greatly amplify the noises, especially at high frequencies. This work focuses on the axial strain calculation from the estimated axial displacements using wavelet transforms (WTs), including continuous wavelet transforms (CWTs) and discrete wavelet transforms (DWTs). The feasibility of the WT-based method using the quadratic spline function is verified by computer simulations and some phantom data. Results indicate that the WT-based method can effectively reduce the noise amplification in axial strain calculation.

  3. 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.

  4. Tryptic digestion of the human erythrocyte glucose transporter: effects on ligand binding and tryptophan fluorescence.

    Science.gov (United States)

    May, J M; Qu, Z C; Beechem, J M

    1993-09-21

    The conformation of the human erythrocyte glucose transport protein has been shown to determine its susceptibility to enzymatic cleavage on a large cytoplasmic loop. We took the converse approach and investigated the effects of tryptic digestion on the conformational structure of this protein. Exhaustive tryptic digestion of protein-depleted erythrocyte ghosts decreased the affinity of the residual transporter for cytochalasin B by 3-fold but did not affect the total number of binding sites. Tryptic digestion also increased the affinity of the residual transporter for D-glucose and inward-binding sugar phenyl beta-D-glucopyranoside but decreased that for the outward-binding 4,6-O-ethylidene glucose. These results suggest that tryptic cleavage stabilized the remaining transporter in an inward-facing conformation, but one with decreased affinity for cytochalasin B. The steady-state fluorescence emission scan of the purified reconstituted glucose transport protein was unaffected by tryptic digestion. Addition of increasing concentrations of potassium iodide resulted in linear Stern-Volmer plots, which were also unaffected by prior tryptic digestion. The tryptophan oxidant N-bromosuccinimide was investigated to provide a more sensitive measure of tryptophan environment. This agent irreversibly inhibited 3-O-methylglucose transport in intact erythrocytes and cytochalasin B binding in protein-depleted ghosts, with a half-maximal effect observed for each activity at about 0.3-0.4 nM. Treatment of purified glucose transport protein with N-bromosuccinimide resulted in a time-dependent quench of tryptophan fluorescence, which was resolved into two components by nonlinear regression using global analysis. Tryptic digestion retarded the rate of oxidation of the more slowly reacting class of tryptophans. (ABSTRACT TRUNCATED AT 250 WORDS)

  5. Biotic ligand modeling approach: Synthesis of the effect of major cations on the toxicity of metals to soil and aquatic organisms.

    Science.gov (United States)

    Ardestani, Masoud M; van Straalen, Nico M; van Gestel, Cornelis A M

    2015-10-01

    The biotic ligand model (BLM) approach is used to assess metal toxicity, taking into account the competition of other cations with the free metal ions for binding to the biotic ligand sites of aquatic and soil organisms. The bioavailable fraction of metals, represented by the free metal ion, is a better measure than the total concentration for assessing their potential risk to the environment. Because BLMs are relating toxicity to the fraction of biotic ligands occupied by the metal, they can be useful for investigating factors affecting metal bioaccumulation and toxicity. In the present review, the effects of major cations on the toxicity of metals to soil and aquatic organisms were comprehensively studied by performing a meta-analysis of BLM literature data. Interactions at the binding sites were shown to be species- and metal-specific. The main factors affecting the relationships between toxicity and conditional binding constants for metal binding at the biotic ligand appeared to be Ca(2+) , Mg(2+) , and protons. Other important characteristics of the exposure medium, such as levels of dissolved organic carbon and concentrations of other cations, should also be considered to obtain a proper assessment of metal toxicity to soil and aquatic organisms.

  6. 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.

  7. Thermophoresis of Axially Symmetric Bodies

    Science.gov (United States)

    2007-11-02

    Sweden Abstract. Thermophoresis of axially symmetric bodies is investigated to first order in the Knudsen-mimber, Kn. The study is made in the limit...derived. Asymptotic solutions are studied. INTRODUCTION Thermophoresis as a phenomenon has been known for a long time, and several authors have approached

  8. 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

  9. Radial breathing mode of carbon nanotubes subjected to axial pressure.

    Science.gov (United States)

    Lei, Xiao-Wen; Ni, Qing-Qing; Shi, Jin-Xing; Natsuki, Toshiaki

    2011-08-11

    In this paper, a theoretical analysis of the radial breathing mode (RBM) of carbon nanotubes (CNTs) subjected to axial pressure is presented based on an elastic continuum model. Single-walled carbon nanotubes (SWCNTs) are described as an individual elastic shell and double-walled carbon nanotubes (DWCNTs) are considered to be two shells coupled through the van der Waals force. The effects of axial pressure, wave numbers and nanotube diameter on the RBM frequency are investigated in detail. The validity of these theoretical results is confirmed through the comparison of the experiment, calculation and simulation. Our results show that the RBM frequency is linearly dependent on the axial pressure and is affected by the wave numbers. We concluded that RBM frequency can be used to characterize the axial pressure acting on both ends of a CNT.

  10. ANALYSIS OF PULSATILE BLOOD FLOW IN AXIALLY MOVING ARTERIES

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In order to study motional properties of pulsatile blood flow in axially moving arteries, the authors derived some expressions of the pulsatile blood flow from the basic equations of motion for blood and vascular walls, including an axial blood velocity equation, a flow rate equation and a wall shear stress equation, which described not only the overall axial movement of the arteries but also the elastic properties of the vascular walls, discussed the effects of the arterial wall elasticity on the wall shear stress in coronary arteries in terms of these expressions, and analyzed changes of motional properties of pulsatile blood flow between an elastic arterial tube model and a rigid tube model. The results proved the inference by J.E. Moore Jr. et al. (1994) that the axial movement of arteries be as important in determining coronary artery hemodynamics as the elastic property of the vascular wall.

  11. Bioavailability and Environmental Regulation - Integrating a Fate & Effects Model with a Biotic Ligand Model for Copper in Seawater

    Science.gov (United States)

    Rivera, I.; Chadwick, B.; Rosen, G.; Wang, P. F.; Paquin, P.; Santore, R.; Ryan, A.

    2015-12-01

    Understanding the bioavailability of metals in the aquatic environment is important for defining appropriate regulatory constraints. A failure to recognize the importance of bioavailability factors on metal toxicity can result in criteria that are over- or under-protective. USEPA addresses the tendency of the national Water Quality Criterion (WQC) for regulation of copper in marine waters to underestimate the natural attenuation of copper toxicity in harbors by the application of site-specific Water Quality Standards (WQS). Which provides the level of protection intended by the WQC, and establishes realistic regulatory objectives. However, development of site-specific WQS involves a long-term effort, and does not account for temporal variation. The toxicity model seawater-Biotic Ligand Model (BLM) was developed and integrated with the existing Curvilinear Hydrodynamics in 3 Dimensions (CH3D) transport & fate model to create an efficient tool for development of site-specific WQS in harbors. The integrated model was demonstrated at a harbor-wide scale in San Diego Bay and Pearl Harbor, and accounted for the natural physical, chemical, biological and toxicological characteristics of the harbor to achieve more scientifically based compliance. In both harbors the spatial and temporal distributions of copper species, toxic effects, and Water Effect Ratio predicted by the integrated model are comparable to previous data. The model was further demonstrated in Shelter Island Yacht Basin (SIYB) marina in San Diego Bay. The integrated model agreed with toxicological and chemical approaches by indicating negligible bioavailability as well as no toxicity; but for a single event, even though an increasing gradient in Cu was observed both horizontally and vertically, with concentrations that reached levels well above current regulatory thresholds. These results support the incorporation by USEPA of the seawater-BLM in a full-strength seawater criterion.

  12. 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.

  13. 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.

  14. Molecular structure effect of pyridine-based surface ligand on the performance of P3HT:TiO₂ hybrid solar cell.

    Science.gov (United States)

    Lin, Jhih-Fong; Tu, Guang-Yao; Ho, Chun-Chih; Chang, Chun-Yu; Yen, Wei-Che; Hsu, Sheng-Hao; Chen, Yang-Fang; Su, Wei-Fang

    2013-02-01

    Colloid TiO(2) nanorods are used for solution-processable poly(3-hexyl thiophene): TiO(2) hybrid solar cell. The nanorods were covered by insulating ligand of oleic acid (OA) after sol-gel synthesis. Three more conducting pyridine type ligands: pyridine, 2,6-lutidine (Lut) and 4-tert-butylpyridine (tBP) were investigated respectively to replace OA. The power conversion efficiency (PCE) of the solar cell was increased because the electronic mobility of pyridine-type ligand-modified TiO(2) is higher than that of TiO(2)-OA. The enhancement of PCE is in the descending order of Lut > pyridine > tBP because of the effective replacement of OA by Lut. The PCE of solar cell can be further enhanced by ligand exchange of pyridine type ligand with conjugating molecule of 2-cyano-3-(5-(7-(thiophen-2-yl)-benzothiadiazol-4-yl) thiophen-2-yl) acrylic acid (W4) on TiO(2) nanorods because W4 has aligned bandgap with P3HT and TiO(2) to facilitate charge separation and transport. The electronic mobility of two-stage ligand exchanged TiO(2) is improved furthermore except Lut, because it adheres well and difficult to be replaced by W4. The amount of W4 on TiO(2)-tBP is 3 times more than that of TiO(2)-Lut (0.20 mol % vs. 0.06 mol %). Thus, the increased extent of PCE of solar cell is in the decreasing order of tBP > pyridine > Lut. The TiO(2)-tBP-W4 device has the best performance with 1.4 and 2.6 times more than TiO(2)-pyridine-W4 and TiO(2)-Lut-W4 devices, respectively. The pKa of the pyridine derivatives plays the major role to determine the ease of ligand exchange on TiO(2) which is the key factor mandating the PCE of P3HT:TiO(2) hybrid solar cell. The results of this study provide new insights of the significance of acid-base reaction on the TiO(2) surface for TiO(2)-based solar cells. The obtained knowledge can be extended to other hybrid solar cell systems.

  15. Optical properties and effect of carrier tunnelling in CdSe colloidal quantum dots: A comparative study with different ligands

    Science.gov (United States)

    Goswami, Syamanta Kumar; Kim, Tae Soo; Oh, Eunsoon; Challa, Kiran Kumar; Kim, Eui-Tae

    2012-09-01

    We studied both cw and time-resolved photoluminescence of colloidal CdSe/ZnS core-shell quantum dots capped with chemical ligands. For the trioctylphosphine oxide capped CdSe/ZnS QDs, both the luminescence intensity and lifetime were found to be increased with increasing temperatures, which can be explained by the thermal activation of the carriers trapped at shallow trapping centers. After the ligand exchange into 3-mercaptopropionic acid, the non-radiative recombination rate was increased and the luminescence efficiency was decreased at room temperature. When the QDs were employed in photovoltaic devices, photocurrent was found to be increased after the ligand exchange. The improved photocurrents observed in photovoltaic devices can be explained by the improved tunnelling probability between the neighbouring QDs.

  16. Optical properties and effect of carrier tunnelling in CdSe colloidal quantum dots: A comparative study with different ligands

    Directory of Open Access Journals (Sweden)

    Syamanta Kumar Goswami

    2012-09-01

    Full Text Available We studied both cw and time-resolved photoluminescence of colloidal CdSe/ZnS core-shell quantum dots capped with chemical ligands. For the trioctylphosphine oxide capped CdSe/ZnS QDs, both the luminescence intensity and lifetime were found to be increased with increasing temperatures, which can be explained by the thermal activation of the carriers trapped at shallow trapping centers. After the ligand exchange into 3-mercaptopropionic acid, the non-radiative recombination rate was increased and the luminescence efficiency was decreased at room temperature. When the QDs were employed in photovoltaic devices, photocurrent was found to be increased after the ligand exchange. The improved photocurrents observed in photovoltaic devices can be explained by the improved tunnelling probability between the neighbouring QDs.

  17. Glutamate receptor ligands attenuate allodynia and hyperalgesia and potentiate morphine effects in a mouse model of neuropathic pain.

    Science.gov (United States)

    Osikowicz, Maria; Mika, Joanna; Makuch, Wioletta; Przewlocka, Barbara

    2008-09-30

    Recent studies have indicated that metabotropic glutamate receptors mGluR5, mGluR2/3 and mGluR7 are present in the regions of central nervous system important for nociceptive transmission, but their involvement in neuropathic pain has not been well established. We demonstrated that acute and chronic administration of MPEP (mGluR5 antagonist), LY379268 (mGluR2/3 agonist), and AMN082 (mGluR7 agonist) attenuated allodynia (von Frey test) and hyperalgesia (cold plate test) as measured in Swiss albino mice on day seven after chronic constriction injury (CCI) to the sciatic nerve. Moreover, single administration of MPEP (30 mg/kg; i.p.) or LY379268 (10mg/kg; i.p.) injected 30 min before morphine potentiated morphine's effects (20mg/kg; i.p.) in the mouse CCI model, as measured by both the tests mentioned above. However, a single administration of AMN082 (3mg/kg; i.p.) potentiated the effects of a single morphine injection (20mg/kg; i.p.) in the von Frey test only. Chronic administration (7 days) of low doses of MPEP, LY379268 or AMN082 (all drugs at 3mg/kg; i.p.) potentiated the effects of single doses of morphine (3, 10, and 20mg/kg; i.p.) administered on day seven; however, AMN082 only potentiated the effect in the cold plate test. Additionally, the same doses of MPEP and LY379268 (but not AMN082) chronically co-administered with morphine (40 mg/kg; i.p.) attenuated the development of morphine tolerance in CCI-exposed mice. Our data suggest that mGluR5, mGluR2/3, and mGluR7 are involved in injury-induced plastic changes in nociceptive pathways and that the mGluR5 and mGluR2/3 ligands enhanced morphine's effectiveness in neuropathy, which could have therapeutic implications.

  18. Anti-liver cancer activity of TNF-related apoptosis-inducing ligand gene and its bystander effects

    Institute of Scientific and Technical Information of China (English)

    Chao He; Wei-Feng Lao; Xiao-Tong Hu; Xiang-Ming Xu; Jing Xu; Bing-Liang Fang

    2004-01-01

    AIM: To observe the anti-liver cancer activity of tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) gene and its bystander effects on hepatocellular carcinoma (HCC) cell line SMMC7721.METHODS: Full-length cDNA of human TRAIL was transferred into SMMC7721 cells with a binary adenoviral vector system.Polymerase-chain reaction following reverse transcription (RT-PCR) was used to determine the expression of TRAIL gene. Effects of the transfected gene on proliferation of SMMC7721 cells were measured by MTT assay. Its influence on apoptosis was demonstrated by fluorescence-activated cell sorting (FACS). The bystander effect was observed by co-culturing the SMNC7721 cells with and without the transfected TRAIL gene at different ratios, and the culture medium supernatant from the transfected cells was also examined for its influence on SMMC7721 cells.RESULTS: The growth-inhibition rate and apoptotic cell fraction in the cells transfected with the TRAIL gene, Bax gene or only LacZ gene were 91.2%, 48.0%, 28.8% and 29.1%, 12.5%, 6.6%, respectively. The growth-inhibition rate of transfection with these three sequences in normal human fibroblasts was 6.1%, 45.5% and 7.6%, respectively,indicating a discriminative inhibition of TRAIL transfection on the cancer cells. In the co-culturing test, addition of the transfected TRAIL to SMMC7721 cells in proportions of 5%,25%, 50%, 75% and 100%, resulted in a growth-inhibition of 15.9%, 67%, 80.2%, 86.4% and 87.7%, respectively.We failed to observe a significant growth-inhibition effect of the culture medium supernatant on SMMC7721 cells.CONCLUSION: TRAIL gene transferred by a binary adenoviral vector system can inhibit proliferation of SMMC7721 cells and induce their apoptosis. A bystander effect was observed,which seemed not to be mediated by soluble factors.

  19. 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)

  20. Effect of ligand of peroxisome proliferator-activated receptor γ on the biological characters of hepatic stellate cells

    Institute of Scientific and Technical Information of China (English)

    Yan-Tong Guo; Xi-Sheng Leng; Tao Li; Ji-Run Peng; Sheng-Han Song; Liang-Fa Xiong; Zhi-Zhong Qin

    2005-01-01

    AIM: To study the effect of rosiglitazone, which is a ligand of peroxisome proliferator-activated receptor gamma (PPARγ), on the expression of PPARγ in hepatic stellate cells (HSCs) and on the biological characteristics of HSCs.METHODS: The activated HSCs were divided into three groups: control group, 3 μmol/L rosiglitazone group, and 10 μmol/L rosiglitazone group. The expression of PPARγ,α-smooth muscle actin (α-SMA), and type Ⅰ and Ⅲ collagen was detected by RT-PCR, Western blot and immunocytochemical staining, respectively. Cell proliferation was determined with methylthiazolyltetrazolium (MTT) colorimetric assay. Cell apoptosis was demonstrated with flow cytometry.RESULTS: The expression of PPARγ at mRNA and protein level markedly increased in HSCs of 10 μmol/L rosiglitazone group (tvalue was 10.870 and 4.627 respectively, P<0.01in both). The proliferation of HSCs in 10 μmol/L rosiglitazone group decreased significantly (t = 5.542, P<0.01), α-SMA expression level and type Ⅰ collagen synthesis ability were also reduced vs controls (tvalue= 10.256 and 14.627respectively, P<0.01 in both). The apoptotic rate of HSCs significantly increased in 10 μmol/L rosiglitazone group vs control (x2= 16.682, P<0.01).CONCLUSION: By increasing expression of PPARγ in activated HSCs, rosiglitazone, an agonist of PPARγ,decreases α-SMA expression and type Ⅰ collagen synthesis,inhibits cell proliferation, and induces cell apoptosis.

  1. EXPRESSION OF MATRIX METALLOPROTEINASE-7 AND FAS LIGAND: THEIR APOPTOSIS-INDUCING EFFECT ON GASTRIC CANCER CELLS

    Institute of Scientific and Technical Information of China (English)

    郑华川; 杨雪飞; 孙晋民; 李晓晗; 姜卫国; 张荫昌; 辛彦

    2003-01-01

    Objective: To investigate the expression of matrix metalloproteinase-7 (MMP-7) and Fas ligand (FasL) in gastric cancer and explore their role in progression of gastric cancer. Methods: Formalin-fixed paraffin and embedded tissues of primary gastric cancer and adjacent non-tumor mucosa from 113 cases were evaluated for MMP-7, FasL and Capase-3 expression by streptavidin-peroxidase (S-P) immunohistochemistry. The expression of the first two proteins in cancer cells of primary foci was compared with clinicopathological parameters of tumors. We also observed the correlation of MMP-7 and FasL expression with Caspase-3 expression in cancer cells of primary foci. Results: MMP-7 positive immunostaining was less frequently detected in adjacent epithelial cells than in cancer cells of primary foci of gastric cancer (P0.05). FasL expression was correlated with tumor size, invasive depth, metastasis, Lauren's classification, histological classification (P0.05). Cancer cells of primary foci expressed less Caspase-3 than their adjacent epithelial cells (P<0.05, 32.7% vs 50.4%). There was an obvious correlation between FasL, MMP-7 and Caspase-3 expression in cancer cells of primary foci (P<0.05). Co-expression of MMP-7 and FasL paralleled with Caspase-3 expression in cancer cells of primary foci (P<0.05). Conclusion: MMP-7 and FasL expression was up-regulated in gastric carcinogenesis and was principally involved in progression of gastric cancer. FasL expression could reflect the differentiation of gastric cancer cells and underlie the molecular mechanisms of different pathways of gastric tumorigenesis. Co-expression of MMP-7 and FasL could have apoptosis-inducing effect on gastric cancer cells.

  2. Near-IR core-substituted naphthalenediimide fluorescent chemosensors for zinc ions: ligand effects on PET and ICT channels.

    Science.gov (United States)

    Lu, Xinyu; Zhu, Weihong; Xie, Yongshu; Li, Xin; Gao, Yuan; Li, Fuyou; Tian, He

    2010-07-26

    Near-IR (NIR) emission can offer distinct advantages for both in vitro and in vivo biological applications. Two NIR fluorescent turn-on sensors N,N'-di-n-butyl-2-(N-{2-[bis(pyridin-2-ylmethyl)amino]ethyl})-6-(N-piperidinyl)naphthalene-1,4,5,8-tetracarboxylic acid bisimide and N,N'-di- n-butyl-2-[N,N,N'-tri(pyridin-2-ylmethyl)amino]ethyl-6-(N-piperidinyl)naphthalene-1,4,5,8-tetracarboxylic acid bisimide (PND and PNT) for Zn(2+) based on naphthalenediimide fluorophore are reported. Our strategy was to choose core-substituted naphthalenediimide (NDI) as a novel NIR fluorophore and N,N-di(pyridin-2-ylmethyl)ethane-1,2-diamine (DPEA) or N,N,N'-tri(pyridin-2-ylmethyl)ethane-1,2-diamine (TPEA) as the receptor, respectively, so as to improve the selectivity to Zn(2+). In the case of PND, the negligible shift in absorption and emission spectra is strongly suggestive that the secondary nitrogen atom (directly connected to the NDI moiety, N(1)) is little disturbed with Zn(2+). The fluorescence enhancement of PND with Zn(2+) titration is dominated with a typical photoinduced electron-transfer (PET) process. In contrast, the N(1) atom for PNT can participate in the coordination of Zn(2+) ion, diminishing the electron delocalization of the NDI moiety and resulting in intramolecular charge-transfer (ICT) disturbance. For PNT, the distinct blueshift in both absorbance and fluorescence is indicative of a combination of PET and ICT processes, which unexpectedly decreases the sensitivity to Zn(2+). Due to the differential binding mode caused by the ligand effect, PND shows excellent selectivity to Zn(2+) over other metal ions, with a larger fluorescent enhancement centered at 650 nm. Also both PND and PNT were successfully used to image intracellular Zn(2+) ions in the living KB cells.

  3. 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.

  4. Axial Spondyloarthritis: An Evolving Concept

    Directory of Open Access Journals (Sweden)

    Nelly Ziadé

    2015-07-01

    Full Text Available Axial spondyloarthritis (AxSpA is the prototype of a family of inter-related yet heterogeneous diseases sharing common clinical and genetic manifestations: the spondyloarthritides (SpAs. The condition mainly affects the sacroiliac joints and axial skeleton, and has a clear classification scheme, wider epidemiological data, and distinct therapeutic guidelines when compared with other SpAs. However, the concept of AxSpA has not been immutable over time and has evolved tremendously on many levels over the past decades. This review identifies the evolution of the AxSpA concept at two levels. First, at the level of classification, the old classifications and rationales leading to the current Assessment of SpondyloArthritis international Society (ASAS classification are reviewed, and the advantages and drawbacks are discussed. Second, at the therapeutic level, current and future treatments are described and treatment strategies are discussed.

  5. [Axial spondyloarthritis and ankylosing spondylitis].

    Science.gov (United States)

    Nordström, Dan; Kauppi, Markku

    2010-01-01

    Current classification criteria for ankylosing spondylitis do not allow diagnosis before radiographic changes are visible in sacroiliacal joints. The the new axial spondyloarthropathy (SpA) criteria include axial SpA without radiographic changes as well as established ankylosing spondylitis, recognizing them as a continuum of the same disease. This is of major importance as the burden of early SpA is comparable to that of later stage disease. Diagnosis relies on inflammatory MRI findings which is the most significant change compared to earlier criteria. Emerging data on the efficacy of tumor necrosis factor (TNF) alpha blocking therapies already in early but also in established disease have given new promising alternatives for treatment of this often very cumbersome disease, that rarely responds to classic DMARDs.

  6. New chiral diamino-bis(tert-thiophene): an effective ligand for Pd- and Zn-catalyzed asymmetric transformations.

    Science.gov (United States)

    Bandini, Marco; Melucci, Manuela; Piccinelli, Fabio; Sinisi, Riccardo; Tommasi, Simona; Umani-Ronchi, Achille

    2007-11-21

    Enantiomerically pure diamino-bis(tert-thiophene) proved to be a valuable and flexible chiral ligand for Pd- and Zn-catalyzed transformations, allowing for high levels of stereocontrol in asymmetric allylic alkylation (ee up to 99%) and hydrosilylations of prochiral carbonyls (ee up to 97%).

  7. 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.

  8. The effect of peripheral bipyridine ligands on the photocatalytic hydrogen production activity of Ru/Pd catalysts

    NARCIS (Netherlands)

    Bindra, Gurmeet Singh; Schulz, Martin; Paul, Avishek; Soman, Suraj; Groarke, Robert; Inglis, Jane; Pryce, Mary T.; Browne, Wesley R.; Rau, Sven; Maclean, Brian J.; Vos, Johannes G.

    2011-01-01

    A pyrazine bridged ruthenium/palladium bimetallic photocatalyst with peripheral 4,4'-dicarboxyethyl-2,2'-bipyridine ligands, EtOOC-RuPd, is reported, together with its 2,2'-bipyridine analogue. Upon irradiation with visible light, EtOOC-RuPd catalyses the production of hydrogen gas whereas the compl

  9. Transport and Retention of CdSe/ZnS Quantum Dots in Saturated Sand: Effects of Organic Ligands, pH and Ionic Strength

    Science.gov (United States)

    Li, Chunyan; Snee, Preston; Darnault, Christophe

    2016-04-01

    The presence of nanomaterials in soil, water, and air systems following their life cycle or accidents and their effects on the environment and public health are inevitable. Ability to forecast the public health and ecological impacts of these nanomaterials encountered in the environment is limited. Therefore, it is critical to be able to predict the fate and transport on nanomaterials in the environment, in particular the subsurface, in order to conduct risk assessments. To assess the transport and retention of nanomaterials in the subsurface environment, we selected quantum dots (QDs). QDs are metal and semiconductor based nanomaterials that are essential to nanoscience and nanotechnology. Understanding the parameters that effect the transport and retention of QDs in the soil water environment is critical. Natural organic ligands are commonly found in soils and impact the soil physico-chemical processes through multifaceted reactions with metal ions present in soil solution and ligand exchange reactions on soil surfaces. Therefore, ligands may modify the surface properties of QDs and effect their stability, transport and retention in the subsurface environment. In this research, size, surface charge, and stability of CdSe/ZnS QDs in water solutions are monitored in batch experiments. The influence of organic ligands (acetate, oxalate, and citrate) on the stability of QDs at different pHs (1.5, 3.5, 5, 7 and 9) and ionic strengths (0.05 and 0.1 M) conditions were examined. The stability and aggregation phenomena of QDs were studied using UV-vis and DLS methods. Parameters from batch studies were selected to establish chemical conditions to be used in transport experiments to produce breakthrough curves and retention profiles in order to characterize the fate and transport of QDs in saturated sand. These transport experiments are essential to understand the mobility and retention processes in porous media where QD interactions with surfaces of heterogeneous

  10. Measurement of protein-ligand complex formation.

    Science.gov (United States)

    Lowe, Peter N; Vaughan, Cara K; Daviter, Tina

    2013-01-01

    Experimental approaches to detect, measure, and quantify protein-ligand binding, along with their theoretical bases, are described. A range of methods for detection of protein-ligand interactions is summarized. Specific protocols are provided for a nonequilibrium procedure pull-down assay, for an equilibrium direct binding method and its modification into a competition-based measurement and for steady-state measurements based on the effects of ligands on enzyme catalysis.

  11. The effect of dendritic generations on the singlet oxygen production of silicon(IV) phthalocyanine axially bearing poly(nitro aryl benzyl ether) dendritic substituents%代数对芳基苄醚树枝状酞菁硅(Ⅳ)光敏产生单线态氧的影响

    Institute of Scientific and Technical Information of China (English)

    王瑜华; 刘静; 郑思宁; 郑莉琴; 杨洪钦; 彭亦如

    2012-01-01

    光敏剂产生单线态氧的能力是评价其光动力活性的因素之一。采用2,5-二甲基呋喃为吸收剂,通过高效液相色谱法研究了1-3代硝基芳基苄醚树枝配体轴向取代酞菁硅(Ⅳ)单线态氧的生成速率、生成速率常数及量子产率。结果表明,轴向取代酞菁硅(Ⅳ)单线态氧的生成速率和生成速率常数均随着树枝代数的增加而逐渐增大,低代的树枝配体轴向取代酞菁硅(Ⅳ)的单线态氧量子产率较高,这可能与不同代树枝配体对酞菁核的位点分离有关。研究将为开发轴向取代酞菁硅(Ⅳ)配合物作为新型光敏剂提供重要的理论参考。%The singlet oxygen(102) production capabilitity of photosensitizers is an important factor to assess their potential as effective photodynamic therapy(PDT) agents. In this paper, the 102 production rate, produc- tion rate constant and quantum yield of silicon(IV) phthalocyanine axially bearing 1-3rd generations poly(nitro aryl benzyl ether) dendritic substituents were evaluated by a high performance liquid chromatographic method. The results show that the 1O2 production rate and production rate constant of these compounds increase gradu- ally with dendritic generations increase. And the 102 quantum yield of silicon(IV) phthalocyanine with 1St gen- eration dendritic ligand was the highest. This may be due to the isolation effect of the dendritic ligands on the phthalocyanine core. The parameters of the observed 102 production properties will provide valuable data for these dendrimer phthalocyanines as promising photosensitizer in PDT application.

  12. Effects of Exit Guide Vane on Performance of Axial-flow Pump System%后置导叶对立式轴流泵装置性能影响

    Institute of Scientific and Technical Information of China (English)

    冯俊; 郑源; 罗欣

    2012-01-01

    为深入研究后置导叶对轴流泵装置性能的影响,结合南水北调北坍泵站模型机组试验,利用Gambit软件,基于雷诺时均Navier-Stokes方程,选用S-A湍流模型与SIMPLEC算法对模型泵进行数值模拟.对比模拟结果与试验结果的外特性,并观察其内流场特性,发现在无导叶时叶轮出水后方区域流动紊乱,流线出现明显的旋转,安装导叶后较好地改善了轴流泵的内流态,有助于提高轴流泵的做功能力.%For further study on the effects of exit guide vane on performance of axial-flow pump,numerical and exper imental methods are both adopted. Based on the Reynolds averaged Navier-Stokes equation,the turbulence model and SIMPLEC algorithm in software Gambit are chosen to simulate model pump of Beitan station in South-to-North water di version projrct. Comparing numerical simulation results with experimental results and observing internal flow characteris tics of axial-flow pump,it can be drawn a conclusion that the water in outlet passage flow appears turbulence and its stre amline has obvious rotation without guide vane; while the guide vane can improve flow pattern and increase efficiency of axial-flow pump.

  13. Stabilization of coordinatively unsaturated Ir4 clusters with bulky ligands: a comparative study of chemical and mechanical effects.

    Science.gov (United States)

    Okrut, Alexander; Gazit, Oz; de Silva, Namal; Nichiporuk, Rita; Solovyov, Andrew; Katz, Alexander

    2012-02-21

    The synthesis and characterization of new cluster compounds represented by the series Ir(4)(CO)(12-x)L(x) (L = tert-butyl-calix[4]-arene(OPr)(3)(OCH(2)PPh(2)); x = 2 and 3) is reported using ESI mass spectrometry, NMR spectroscopy, IR spectroscopy and single-crystal X-ray diffraction. Thermally driven decarbonylation of the cluster compound series represented by x = 1-3 according to the formula above is followed via FTIR and NMR spectroscopies, and dynamic light scattering in toluene solution. The propensity of these clusters to decarbonylate in solution is shown to be directly correlated with number density of adsorbed calixarene phosphine ligands and controlled via Pauli repulsion between metal d and CO 5σ orbitals. The tendency for cluster aggregation unintuitively follows a trend that is exactly opposite to the cluster's propensity to decarbonylate. No cluster aggregation is observed for clusters consisting of x = 3, even after extensive decarbonylation via loss of all bridging CO ligands and coordinative unsaturation. Some of the CO lost during thermal treatment via decarbonylation can be rebound to the coordinatively unsaturated cluster consisting of x = 3. In contrast, the clusters consisting of x = 1 and x = 2 both aggregate into large nanoparticles when treated under identical conditions. Clusters in which the calixarene phosphine ligand is replaced with a sterically less demanding PPh(2)Me ligand 6 lead to significantly less coordinative unsaturation upon thermal treatment. Altogether, these data support a mechanical model of accessibility in coordinatively unsaturated metal clusters in solution, which hinges on having at least three sterically bulky organic ligands per Ir(4) core.

  14. The effect of thermal motion on the electron localization in metal-to-ligand charge transfer excitations in [Fe(bpy)3](2+).

    Science.gov (United States)

    Domingo, Alex; Sousa, Carmen; de Graaf, Coen

    2014-12-21

    Accurate electronic structure calculations of the lowest excited states have been performed on twenty snapshots of a molecular dynamics simulation of [Fe(bpy)3](2+) dissolved in water. The thermal motion distorts the structure of the complex from its average D3 symmetry, causing the localization on one bipyridine ligand of the excited electron in the metal-to-ligand charge transfer (MLCT) state. The excitation energy is about 0.25 eV lower than that for the delocalized description of the MLCT state and is in good agreement with experiments. The composition of the MLCT band is carefully analyzed and the effect of thermal motion on the mechanism of light-induced spin crossover is discussed.

  15. Magnetic field uniformity of the practical tri-axial Helmholtz coils systems.

    Science.gov (United States)

    Beiranvand, R

    2014-05-01

    In this paper, effects of the assembly misalignments and the manufacturing mismatches on the magnetic field uniformity of a practical tri-axial Helmholtz coils system have been modeled mathematically. These undesired effects regularly occur in any practical tri-axial Helmholtz coils system. To confirm the mathematical calculations, a tri-axial Helmholtz coils system has been constructed and the uniformity of its magnetic field has been measured under different conditions. The experimental results are in good agreement with the mathematical analyses.

  16. Osteoprotegerin and osteoprotegerin ligand expression during human marrow stromal cell differentiation and their effect on osteoclast formation

    Institute of Scientific and Technical Information of China (English)

    YANG Lin; HAI Yong; ZHOU Jun-lin

    2011-01-01

    ackground Osteoprotegerin (OPG) and osteoprotegerin ligand (OPGL) play an important role in human bone metabolism. The aim of this research was to detect the expression of OPG and OPGL during human marrow stromal cells (hMSC) differentiation into osteoblasts (OB), and to observe their effect on osteoclasts (OC) formation in vitro to investigate bone metabolism mechanisms.Methods hMSCs were obtained from human bone marrow specimens using gradient centrifugation method, before being purified and incubated with differentiation medium to develop along the human osteoblasts (hOB) pathway. Morphology observation, biochemical detection and cell staining were performed during hMSC differentiation. OPG and OPGL mRNA levels were detected by reverse transcription-polymerase chain reaction. OPG and OPGL protein expression were determined by Western blotting. We further obtained OC progenitor cells from mice bone marrow and co-cultured with differentiating MSCs. We assessed the effect of OPG and OPGL on OC formation by identifying tartrate resistant acid phosphatase (TRAP) positive multinuclear cells.Results Optimal hMSC survival and purification were observed, along with stable biochemical indexes. Alkaline phosphatase secretion increased significantly and mineralization nodules appeared in the process of cell differentiation. OPG mRNA and protein level increased significantly, while OPGL mRNA and protein level decreased. Average levels of OPG mRNA and protein were about 2.5-fold higher than the control, while OPGL mRNA and protein levels were reduced by about one-half. In the group co-culturing with undifferentiated MSC or added OPGL, we found TRAP positive and multinuclear OC formation. However, OC formation was absent in the group co-culturing with differentiated MSC or added OPG.Conclusions During hMSC differentiation into hOB, OPG secretion increased rapidly and OPGL production decreased significantly. The OPG/OPGL ratio was also increased, while OC formation was

  17. The clinical effect of the gabapentin on the axial symptom after cervical operations%加巴喷丁治疗颈椎术后轴性症状的临床疗效评价

    Institute of Scientific and Technical Information of China (English)

    桑裴铭; 张明; 陈斌辉; 蔡畅; 顾仕荣; 裘成莉

    2013-01-01

    目的 评价加巴喷丁胶囊在治疗颈椎术后轴性症状(AS)的临床疗效.方法 颈椎术后出现轴性症状的100例患者,随机分组,A组(50例)口服加巴喷丁胶囊;B组(50例)口服塞来昔布胶囊,随访8周,用视觉模拟评分方法(VAS)观察治疗轴性症状的临床疗效.结果 患者治疗后1,4,8周与治疗前VAS评分比较,2组内差异有统计学意义(P<0.05);治疗后1,4周VAS评分,2组间差异有统计学意义(P<0.05).在治愈时间与不良反应上,2组间差异有统计学意义(P<0.05).结论 加巴喷丁胶囊在治疗颈椎术后轴状症状中具有良好的效果,并且不良反应少.%Objective To investigate the clinical effect of the gabapentin capsule on the axial symptom after cervical operations. Methods After cervical operations, one hundred patients who had the axial symptom were randomly divided into group A and group B, fifty patients in each group. Group A took the gabapentin capsule and fifty patients in group B took the celecoxib capsule till the symptom disappeared and totally have been followed up for 8 weeks. The axial symptoms were assessed through the VAS score. Results Compared to pretreatment, the patients' symptom were improved after taking the gabapentin or celecoxib capsule for a week(P < 0. 05). There were significant differences between the two groups after a week and four weeks treatment (P < 0. 05 ). There were significant differences in the time of taking medicine and in the ratio of complications (P < 0.05). Conclusion It is the worthy of the clinical application using the gabapentin capsule to treat the axial symptom after cervical operations.

  18. Golimumab for treatment of axial spondyloarthritis.

    Science.gov (United States)

    Rios Rodriguez, Valeria; Poddubnyy, Denis

    2016-02-01

    Axial spondyloarthritis comprises two forms: nonradiographic (nonradiographic axial spondyloarthritis) and radiographic (better known as ankylosing spondylitis), which are often considered as two stages of one disease. Historically, all currently available TNF-α inhibitors were first investigated in ankylosing spondylitis and later on in nonradiographic axial spondyloarthritis. This year, EMA has granted golimumab approval for the treatment of active nonradiographic axial spondyloarthritis based on the recently published data from the GO-AHEAD study. This article summarizes recent data on efficacy and safety of golimumab in the treatment of ankylosing spondylitis and nonradiographic axial spondyloarthritis.

  19. 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].

  20. Unsteady cooperative flow type in the axial compressor

    Institute of Scientific and Technical Information of China (English)

    ZHENG Xinqian; ZHOU Sheng; HOU Anping; XIONG Jinsong

    2005-01-01

    For increasing the performance of the axial compressor, a method for realizing unsteady cooperative flow type is proposed in this paper as a critical objective in the new generation of the axial compressor design system. Unsteady excitations were utilized to trigger the transformation from the unsteady natural flow pattern into the unsteady cooperative flow pattern, resulting in increment of aerodynamic performances of axial compressor. Numerical simulations show that distinct positive effect can be obtained for the 2D cascade in a wide range of subsonic working conditions. No positive effect can be observed under the 2D supersonic working conditions and unsteady excitations have little influence on the flow field space-time structure. However, positive effect can be obtained under the 3D transsonic working conditions. In addition, engineering applications of unsteady cooperative flow type are discussed.

  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. Copper(II) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.

    Science.gov (United States)

    Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M Isabel; Luis, Santiago V

    2012-06-14

    A family of ligands derived from bis(amino amides) containing aliphatic spacers has been prepared, and their protonation and stability constants for the formation of Cu(2+) complexes have been determined potentiometrically. Important differences are associated to both the length of the aliphatic spacer and the nature of the side chains derived from the amino acid. In general, ligands containing aliphatic side chains display higher basicities as well as stability constants with Cu(2+). In the same way, basicities and stability constants tend to increase when decreasing the steric hindrance caused by the corresponding side-chain. FT-IR, UV-vis and ESI-MS were used for analyzing the complex species detected in the speciation diagram. UV-vis studies showed the presence of different coordination environments for the copper(II) complexes. Complexes with different stoichiometries can be formed in some instances. This was clearly highlighted with the help of ESI-MS experiments.

  3. The Effects of Iron Complexing Ligands on the Long Term Ecosystem Response to Iron Enrichment of HNLC waters

    Energy Technology Data Exchange (ETDEWEB)

    Mark L. Wells; Mary Jane Perry; William P. Cochlan; Charles G. Trick

    2006-11-18

    The central hypothesis of this project is that natural iron-complexing organic ligands in seawater differentially regulate iron availability to large (microplankton) and small (nano and picoplankton) class of phytoplankton and thereby strongly influence the potential carbon sequestration in High Nitrate Low Chlorophyll (HNLC) regions of the ocean. The primary project goals are to: 1) determine how different natural and synthetic Fe chelators affect Fe availability to phytoplankton species that are representative of offshore HNLC waters, 2) elucidate how the changes in absolute concentrations of these chelators affect the longer-term ecosystem response to alleviation of Fe limitation, and 3) ascertain how changes in the ligand composition affect rates of cell sinking and aggregation - representative measures of the efficiency of carbon sequestration to the deep.

  4. Luminescence, magnetocaloric effect and single-molecule magnet behavior in lanthanide complexes based on a tridentate ligand derived from 8-hydroxyquinoline.

    Science.gov (United States)

    Shen, Hai-Yun; Wang, Wen-Min; Bi, Yan-Xia; Gao, Hong-Ling; Liu, Shuang; Cui, Jian-Zhong

    2015-11-21

    A new family of lanthanide complexes, [Ln2(hfac)4L2] (Ln = Eu (1), Gd (2), Tb (3), Dy (4), Ho (5), Er (6), Lu (7); hfac = hexafluoroacetylacetonate, HL = 2-(2′-benzothiazole)-8-hydroxyquinoline), was synthesized and characterized using single-crystal X-ray diffraction, elemental analysis (EA), thermal gravimetric analysis (TGA), powder X-ray diffraction (PXRD) and UV-vis spectra. X-ray crystallographic analyses reveal that 1–7 are isomorphous and crystallize in the monoclinic space group C2/c. In these dinuclear complexes, each LnШ ion is eight-coordinated with two bidentate hfac and two μ-phenol bridging L ligands. The TGA results show that the complexes have relatively high thermal stabilities. Complexes 1 and 3 show the characteristic transitions of the corresponding lanthanide ions with ligand-related emission peaks. Meanwhile, complexes 4 and 7 exhibit ligand-centered fluorescence at room temperature. Magnetic measurements were carried out on complexes 2–6. The magnetic study reveals that 2 displays a magnetocaloric effect, with a maximum −ΔSm value of 16.89 J K−1 kg−1 at 2 K for ΔH = 8 T. Dynamic magnetic studies reveal single-molecule magnet (SMM) behavior for complex 4. Fitting the dynamic magnetic data to the Arrhenius law gives an energy barrier ΔE/kB = 50.33 K and pre-exponential factor τ0 = 1.05 × 10(-8)s.

  5. Sorption of uranyl(VI) cations on suspended silicate: effects of N-donor ligands, carboxylic acids, organic cosolvents, and metal ions

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, P.N.; Choppin, G.R. [Florida State Univ., Tallahassee, FL (United States). Dept. of Chemistry and Biochemistry

    2007-07-01

    Sorption of uranyl ion, UO{sub 2}{sup 2+}, on silicate particles (3.00g/L) was studied in sodium perchlorate solution as a function of pcH and ionic strength at 298 K. The effects of different ligands (e.g., N-donors, carboxylic acids) on the uranyl sorption were investigated. At I = 0.20 M (NaClO{sub 4}), uranyl sorption on silicate increased from ca. 6% (pcH 3.0) to ca. 99% (at pcH 6.5), above which a small decrease was observed. A synergistic enhancement in uranyl sorption was observed in the presence of N-donor ligands such as 1,10-phenanthroline and ethylenediamine in the pcH range 3 to 4.5 as compared to that in the absence of ligands. Carboxylic acids inhibited the sorption in the order: citric acid > malonic acid > nitrilotriacetic acid > iminodiacetic acid > sulfosalicylic acid > succinic acid > glycolic acid. The presence of organic cosolvents such as dimethylsulfoxide, glycerol and tetrahydrofuran had no significant influence on the uranyl sorption profile. Uranyl sorption decreased marginally in the presence of 1.00 x 10{sup -3} M Eu(III). (orig.)

  6. Ligand Binding and Activation of PPARγ by Firemaster® 550: Effects on Adipogenesis and Osteogenesis in Vitro

    OpenAIRE

    2014-01-01

    Background: The use of alternative flame retardants has increased since the phase out of pentabromodiphenyl ethers (pentaBDEs). One alternative, Firemaster® 550 (FM550), induces obesity in rats. Triphenyl phosphate (TPP), a component of FM550, has a structure similar to that of organotins, which are obesogenic in rodents. Objectives: We tested the hypothesis that components of FM550 are biologically active peroxisome proliferator-activated receptor γ (PPARγ) ligands and estimated indoor expos...

  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. Diverse lanthanide coordination polymers tuned by the flexibility of ligands and the lanthanide contraction effect: syntheses, structures and luminescence.

    Science.gov (United States)

    Zhou, Xiaoyan; Guo, Yanling; Shi, Zhaohua; Song, Xueqin; Tang, Xiaoliang; Hu, Xiong; Zhu, Zhentong; Li, Pengxuan; Liu, Weisheng

    2012-02-14

    Two new flexible exo-bidentate ligands were designed and synthesized, incorporating different backbone chain lengths bearing two salicylamide arms, namely 2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(N-benzylbenzamide) (L(I)) and 2,2'-(2,2'-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(oxy)bis(N-benzylbenzamide) (L(II)). These two structurally related ligands are used as building blocks for constructing diverse lanthanide polymers with luminescent properties. Among two series of lanthanide nitrate complexes which have been characterized by elemental analysis, TGA analysis, X-ray powder diffraction, and IR spectroscopy, ten new coordination polymers have been determined using X-ray diffraction analysis. All the coordination polymers exhibit the same metal-to-ligand molar ratio of 2 : 3. L(I), as a bridging ligand, reacts with lanthanide nitrates forming two different types of 2D coordination complexes: herringbone framework {[Ln(2)(NO(3))(6)(L(I))(3)·mC(4)H(8)O(2)](∞) (Ln = La (1), and Pr (2), m = 1, 2)} as type I,; and honeycomb framework {[Ln(2)(NO(3))(6)(L(I))(3)·nCH(3)OH](∞) (Ln = Nd (3), Eu (4), Tb (5), and Er (6), n = 0 or 3)} as type II, which change according to the decrease in radius of the lanthanide. For L(II), two distinct structure types of 1D ladder-like coordination complexes were formed with decreasing lanthanide radii: [Ln(2)(NO(3))(6)(L(II))(3)·2C(4)H(8)O(2)](∞) (Ln = La (7), Pr (8), Nd (9)) as type III, [Ln(2)(NO(3))(6)(L(I))(3)·mC(4)H(8)O(2)·nCH(3)OH](∞) (Ln = Eu (10), Tb (11), and Er (12), m, n = 2 or 0) as type IV. The progressive structural variation from the 2D supramolecular framework to 1D ladder-like frameworks is attributed to the varying chain length of the backbone group in the flexible ligands. The photophysical properties of trivalent Sm, Eu, Tb, and Dy complexes at room temperature were also investigated in detail.

  9. The mouse defense test battery: evaluation of the effects of non-selective and BZ-1 (omega1) selective, benzodiazepine receptor ligands.

    Science.gov (United States)

    Griebel, G.; Sanger, D.J.; Perrault, G.

    1996-11-01

    The behavioral effects of several benzodiazepine (BZ) (omega) receptor ligands were compared using the Mouse Defense Test Battery which has been designed to assess defensive reactions of Swiss mice confronted with a natural threat (a rat) and situations associated with this threat. Primary measures taken before, during and after rat confrontation were escape attempts, flight, risk assessment and defensive threat and attack. The drugs used included non-selective BZ (omega) full (clonazepam, clorazepate, chlordiazepoxide and diazepam) and partial (bretazenil and imidazenil) agonists, and BZ-1 (omega1) selective (abecarnil, CL 218,872 and zolpidem) receptor ligands. With the exception of clonazepam, non-selective BZ (omega) receptor compounds only partially affected flight behaviors. The drugs reduced some but not all flight measures in response to the approaching rat, whereas clonazepam attenuated all flight reactions. In contrast to their mild and inconsistent actions on flight, the non-selective BZ (omega) receptor agonists displayed clear effects on risk assessment when subjects were chased by the rat. When contact was forced between the subject and the rat, the non-selective BZ (omega) receptor full agonists reduced defensive threat and attack reactions, while the partial agonists imidazenil and bretazenil only weakly attenuated defensive attack behavior. Similarly, after the rat had been removed from the test area, the non-selective BZ (omega) receptor full agonists displayed greater efficacy than the partial agonists in reducing escape attempts. Overall, results obtained with the selective BZ-1 (omega1) receptor ligands demonstrated either no clear effects or no specific action on defensive reactions. Taken together, these data demonstrate that: (1) non-selective BZ (omega) agonists displaying high intrinsic activity affect a wider range of defensive behaviors than non-selective BZ (omega) receptor partial agonists; (2) the defense system does not involve

  10. Design and Simulation of Axial Flow Maglev Blood Pump

    Directory of Open Access Journals (Sweden)

    Huachun Wu

    2011-03-01

    Full Text Available The axial flow maglev blood pump (AFMBP has become a global research focus and emphasis for artificial ventricular assist device, which has no mechanical contact, mechanical friction, compact structure and light weight, can effectively solve thrombus and hemolysis. Magnetic suspension and impeller is two of the important parts in the axial flow maglev blood pump, and their structure largely determines the blood pump performance. The research adopts electromagnetic and fluid finite element analysis, and puts forward a method to design the magnetic suspension and impeller of axial flow blood pump, which tacks into account the small volume of axial blood pump. The magnetic bearing’s characteristics are evaluated by electromagnetic finite element analysis. The Blades have been designed by calculating aerofoil bone line, and make simulation analysis for different thicken ways of blade by Fluent software, and make a conclusion that the blade thickened with certain rules has better characteristics in the same conditions. The results will provide some guidance for design of axial flow maglev blood pump, and establish theoretical basis for application of the implantable artificial heart pump.

  11. Light Weakly Coupled Axial Forces: Models, Constraints, and Projections

    CERN Document Server

    Kahn, Yonatan; Mishra-Sharma, Siddharth; Tait, Tim M P

    2016-01-01

    We investigate the landscape of constraints on MeV-GeV scale, hidden U(1) forces with nonzero axial-vector couplings to Standard Model fermions. While the purely vector-coupled dark photon, which may arise from kinetic mixing, is a well-motivated scenario, several MeV-scale anomalies motivate a theory with axial couplings which can be UV-completed consistent with Standard Model gauge invariance. Moreover, existing constraints on dark photons depend on products of various combinations of axial and vector couplings, making it difficult to isolate the effects of axial couplings for particular flavors of SM fermions. We present a representative renormalizable, UV-complete model of a dark photon with adjustable axial and vector couplings, discuss its general features, and show how some UV constraints may be relaxed in a model with nonrenormalizable Yukawa couplings at the expense of fine-tuning. We survey the existing parameter space and the projected reach of planned experiments, briefly commenting on the relevan...

  12. 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.

  13. Light Weakly Coupled Axial Forces: Models, Constraints, and Projections

    Energy Technology Data Exchange (ETDEWEB)

    Kahn, Yonatan [Princeton U.; Krnjaic, Gordan [Fermilab; Mishra-Sharma, Siddharth [Princeton U.; Tait, Tim P. [UC, Irvine

    2016-09-28

    We investigate the landscape of constraints on MeV-GeV scale, hidden U(1) forces with nonzero axial-vector couplings to Standard Model fermions. While the purely vector-coupled dark photon, which may arise from kinetic mixing, is a well-motivated scenario, several MeV-scale anomalies motivate a theory with axial couplings which can be UV-completed consistent with Standard Model gauge invariance. Moreover, existing constraints on dark photons depend on products of various combinations of axial and vector couplings, making it difficult to isolate the effects of axial couplings for particular flavors of SM fermions. We present a representative renormalizable, UV-complete model of a dark photon with adjustable axial and vector couplings, discuss its general features, and show how some UV constraints may be relaxed in a model with nonrenormalizable Yukawa couplings at the expense of fine-tuning. We survey the existing parameter space and the projected reach of planned experiments, briefly commenting on the relevance of the allowed parameter space to low-energy anomalies in pi^0 and 8-Be* decay.

  14. 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

    2011-12-14

    The control of tonic muscular activity remains poorly understood. While abnormal tone is commonly assessed clinically by measuring the passive resistance of relaxed limbs, 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.

  15. Androgen receptor functional analyses by high throughput imaging: determination of ligand, cell cycle, and mutation-specific effects.

    Directory of Open Access Journals (Sweden)

    Adam T Szafran

    Full Text Available BACKGROUND: Understanding how androgen receptor (AR function is modulated by exposure to steroids, growth factors or small molecules can have important mechanistic implications for AR-related disease therapies (e.g., prostate cancer, androgen insensitivity syndrome, AIS, and in the analysis of environmental endocrine disruptors. METHODOLOGY/PRINCIPAL FINDINGS: We report the development of a high throughput (HT image-based assay that quantifies AR subcellular and subnuclear distribution, and transcriptional reporter gene activity on a cell-by-cell basis. Furthermore, simultaneous analysis of DNA content allowed determination of cell cycle position and permitted the analysis of cell cycle dependent changes in AR function in unsynchronized cell populations. Assay quality for EC50 coefficients of variation were 5-24%, with Z' values reaching 0.91. This was achieved by the selective analysis of cells expressing physiological levels of AR, important because minor over-expression resulted in elevated nuclear speckling and decreased transcriptional reporter gene activity. A small screen of AR-binding ligands, including known agonists, antagonists, and endocrine disruptors, demonstrated that nuclear translocation and nuclear "speckling" were linked with transcriptional output, and specific ligands were noted to differentially affect measurements for wild type versus mutant AR, suggesting differing mechanisms of action. HT imaging of patient-derived AIS mutations demonstrated a proof-of-principle personalized medicine approach to rapidly identify ligands capable of restoring multiple AR functions. CONCLUSIONS/SIGNIFICANCE: HT imaging-based multiplex screening will provide a rapid, systems-level analysis of compounds/RNAi that may differentially affect wild type AR or clinically relevant AR mutations.

  16. Effect of glucosamine conjugation to zinc(II) complexes of a bis-pyrazole ligand: syntheses, characterization and anticancer activity.

    Science.gov (United States)

    Bhattacharyya, Sudipta; Sarkar, Amrita; Dey, Suman Kr; Mukherjee, Arindam

    2014-11-01

    The bis(3,5-dimethyl-1H- pyrazol-1yl)acetic acid (bdmpza) ligand was conjugated with tert-butyl-N-(2-aminoethyl) carbonate, methyl-2-amino-4-(methylthio)butanoate and 1,3,4,6-tetra-O-acetyl-β-d-glucosamine hydrochloride via amide coupling method to form three ligands L1-L3 which were then reacted with Zn(II) salts to form four zinc complexes (1-4). The complexes were characterized by (1)H NMR, (13)C NMR, electrospray ionization mass spectrometry (ESI-MS), FT-IR, CHN analyses. Complexes 1, 2 and 4 were also characterized by single crystal X-ray diffraction. It was found that Zn(II) salts could selectively remove the acetyl group from anomeric position leaving everything else intact. The cytotoxicity studies of the ligand and the complexes showed that the conjugation to acetylated glucosamine enhances cytotoxic ability although the complexes become more hydrophilic. Cytotoxicity studies in human breast adenocarcinoma (MCF-7), human cervical cancer (HeLa WT) and human lung adenocarcinoma (A549) showed that the acetylated glucosamine conjugation to the bis-pyrazole ligated Zn(II) complex led to 2-4 fold increase in cytotoxicity (IC50 values ca. 57-80μM) against HeLa WT and MCF-7 cell lines. The Zn(II) complex bearing the acetylated glucosamine inhibits the cell cycle in the G2/M phase of MCF-7 cell line. ICP-MS data shows more accumulation of Zn(II) inside the cell upon use of complex 4 as compared to Zn(II) salts or the other presented complexes. Further studies suggest that the mitochondrial transmembrane potential changes in the presence of complex 4 and caspase-7 is activated by Zn(II) salts but the activation is much more by complex 4 and hence there is apoptosis and dose dependent chromatin condensation/nuclear fragmentation as observed by microscopy.

  17. Axial Vector $Z'$ and Anomaly Cancellation

    CERN Document Server

    Ismail, Ahmed; Tsao, Kuo-Hsing; Unwin, James

    2016-01-01

    Whilst the prospect of new $Z'$ gauge bosons with only axial couplings to the Standard Model (SM) fermions is widely discussed, examples of anomaly-free renormalisable models are lacking in the literature. We look to remedy this by constructing several motivated examples. Specifically, we consider axial vectors which couple universally to all SM fermions, as well as those which are generation-specific, leptophilic, and leptophobic. Anomaly cancellation typically requires the presence of new coloured and charged chiral fermions, and we argue that the masses of these new states must generally be comparable to that of the axial vector. Finally, an axial vector mediator could provide a portal between SM and hidden sector states, and we also consider the possibility that the axial vector couples to dark matter. If the dark matter relic density is set due to freeze-out via the axial vector, this strongly constrains the parameter space.

  18. Multimetallic ruthenium(II) complexes based on biimidazole and bibenzimidazole: Effect of dianionic bridging ligands on Redox and spectral properties

    Energy Technology Data Exchange (ETDEWEB)

    Rillema, D.P.; Sahai, R.; Matthews, P.; Edwards, A.K.; Shaver, R.J.; Morgan, L. (Univ. of North Carolina, Charlotte (USA))

    1990-01-24

    The preparation and properties of ruthenium(II) complexes containing the ligands 2,2{prime}-biimidazole (BiImH{sub 2}), 2,2{prime}-bibenzimidazole (BiBzImH{sub 2}), and 2,2{prime}-bipyridine (bpy) are reported. The complexes described are ((Ru(bpy){sub 2}){sub 2}BiIm){sup 2+} and the series (Ru-(bpy){sub n}(BiImH{sub 2}){sub 3{minus}n}){sup 2+}, (Ru(bpy){sub n}(BiBzImH{sub 2}){sub 3{minus}n}){sup 2+}, and (Ru(bpy){sub n}(BiBzImRu(bpy){sub 2}){sub 3{minus}n}){sup 2+}, n = 0-2. The redox potential for the first Ru{sup 3+/2+} couple shifted negatively from 1.26 to {minus}0.26 V vs SSCE as bpy ligands were replaced by BiImH{sub 2}, BiBzImH{sub 2}, and BiBzImRu(bpy){sub 2} ligands. Reductions were found in the {minus}1.5- to {minus}1.6-V range for complexes containing bypyridine ligands, but none were observed out to {minus}2.0 V for (Ru(BiImH{sub 2}){sub 3}){sup 2+} or (Ru(BiBzImH{sub 2}){sub 3}){sup 2+}. The complexes absorbed energy in the visible and UV regions of the spectrum and emitted radiation, with the exception of the tetrametallic species, in the 600-800-nm region. Estimates of the excited-state redox potentials revealed that the excited-state species were powerful reductants, but were weak oxidants. The (Ru{sup III}-(BiBzImRu{sup II}(bpy){sub 2}){sub 3}){sup 3+} cation absorbed in the near-infrared region at 12.2 {times} 10{sup 3} cm{sup {minus}1} in acetonitrile, but the absorption disappeared upon reduction to (Ru{sup II}(BiBzImRu{sup II}(bpy){sub 2}){sub 3}){sup 2+}. The position of the absorption manifold maximum varied linearly with the static and optical dielectric constant of the solvent. 45 refs., 12 figs., 3 tabs.

  19. Pyrazole complexes as anion receptors: effects of changing the metal, the pyrazole substitution pattern, and the number of pyrazole ligands.

    Science.gov (United States)

    Nieto, Sonia; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel; Golen, James A; Rheingold, Arnold L

    2007-04-16

    Compound cis,fac-[Mo(eta3-allyl)(CO)2(Hdmpz)3]BAr'4 (1) (Hdmpz = 3,5-dimethylpyrazole, Ar' = 3,5-bis(trifluoromethyl)phenyl) undergoes rapid substitution of one of the pyrazole ligands by anions, including the low nucleophilic ReO4-, a reaction that afforded [Mo(OReO3)(eta3-allyl)(CO)2(Hdmpz)2] (2), structurally characterized by X-ray diffraction. The new compounds fac-[Mn(CO)3(Hdmpz)3]BAr'4 (4a) and fac-[Mn(CO)3(HtBupz)3]BAr'4 (4b) (HtBupz = 3(5)-tert-butylpyrazole) also undergo pyrazole substitution with most anions, and the product from the reaction with nitrate was crystallographically characterized. Compounds 4a,b were found to be substitutionally stable toward perrhenate, and the adducts [Mn(CO)3(Hdmpz)3].[ReO4] (7a) and [Mn(CO)3(HtBupz)3].[ReO4].[Bu4N].[BAr'4] (7b), crystallographically characterized, display hydrogen bonds between one of the perrhenate oxygens and the N-H groups of two of the pyrazole ligands. The structurally similar adduct [Re(CO)3(Hdmpz)3].[ReO4] (8) was found to result from the interaction of [Re(CO)3(Hdmpz)3]BAr'4 with perrhenate. The reaction of [Re(OTf)(CO)5] with 3,5-dimethylpyrazole (Hdmpz) afforded [Re(CO)5(Hdmpz)]OTf (9). The reaction of 9 with Hdmpz and NaBAr'4 yielded [Re(CO)4(Hdmpz)2]BAr'4 (10), which was found to be unstable toward chloride anion. In contrast, the new compound fac,cis-[Re(CO)3(CNtBu)(Hdmpz)2]BAr'4 (11) is stable in solution in the presence of different anions. Binding constants for 11 with chloride, bromide, and nitrate are 1-2 orders of magnitude lower than those found for these anions and rhenium tris(pyrazole) hosts, indicating that the presence of the third pyrazole ligand is crucial. Compounds fac-[Re(CO)3(HPhpz)3]BAr'4 (14) (HPhpz = 3(5)-phenylpyrazole) and fac-[Re(CO)3(HIndz)3]BAr'4 (15) (HIndz = indazole) are, in terms of anion binding strength and selectivity, inferior to those with dimethylpyrazole or tert-butylpyrazole ligands.

  20. 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.

  1. MCM-41 Bound Ruthenium Complex as Heterogeneous Catalyst for Hydrogenation Ⅰ: Effect of Support, Ligand and Solvent on the Catalyst Performance

    Institute of Scientific and Technical Information of China (English)

    YU, Ying-Min; FEI, Jin-Hua; ZHANG, Yi-Ping; ZHENG, Xiao-Ming

    2006-01-01

    The functionalized MCM-41 mesoporous bound ruthenium complex was synthesized and characterized using elemental analysis, atomic absorption spectrophotometer, BET, XRD and FTIR. Hydrogenation of carbon dioxide to formic acid was investigated over these catalysts under supercritical CO2 condition. The effect of reactant gas partial pressure, supports, solvents and ligands on the synthesis of formic acid was studied. These factors could influence the catalyst activity, stability and reuse performance greatly and no byproduct was detected. These promising catalysts also offered the industrial advantages such as easy separation.

  2. Diabetes mellitus and the eye: axial length

    OpenAIRE

    Huntjens, B.; O’Donnell, C.

    2006-01-01

    Background and aims: The refractive error of the eye is dependent on its axial length. Refractive error is known to fluctuate significantly in poorly controlled diabetic patients. Recently it has been reported that human eyes fluctuate in axial length during the day. However, this change is not detectable in all subjects, suggesting physiological influences such as diet. The purpose of this study was to investigate fluctuations in axial length and blood glucose levels (BGLs) in diabetic patie...

  3. 界面上配基种类对BSA吸附行为的影响%Effect of Interfacial Ligands on the Absorption Behavior of BSA

    Institute of Scientific and Technical Information of China (English)

    马洪梅; 张贵锋; 李春; 孔英俊; 高飞; 胡涛; 马光辉; 苏志国

    2012-01-01

    The effect of interfacial ligands on the adsorption behavior of BSA was investigated using dual polarization interferometry (DPI). The sensor chips of DPI were modified with 3-aminopropyltriethoxysilane (APTES) , (3 -methylaminopropyl) trimethoxysilane ( MAPTMS ) and ( 3 -diethylaminopropyl) trimethoxysilane (DAPTMS) respectively. The ligand densities on the modified chips were compared using X-ray photoelectron spectroscopy. The adsorption behaviors of BSA on the three modified chips were characterized using DPI and atomic force microscopy (AFM) respectively. It was found that the adsorbed BSA on the APTES-modified chip occupies a larger area than other ligand-modified ones, suggesting that the higher ligand density led to the more points in binding sites. The ligand density on MAPTMS-modified chip was similar as that on the DAPTMS-modified chip. BSA showed higher BSA adsorption on the DAPTMS-modified chip than the MAPTMS-modified, but the thickness of BSA layers were almost the same, indicating a higher density of BSA adsorbed. AFM images of the BSA adsorbed on the three ligand-modified chips corresponded to the result from DPI detection. The results indicates that the ligand density on the modified chip affects the amount, density and aggregation of BSA on the interfaces.%利用双偏振极化干涉测量仪(DPI)研究了界面上配基种类对BSA吸附行为的影响.采用3-氨基丙基三乙氧基硅烷(APTES)、3-(甲氨基)丙基三甲氧基硅烷(MAPTMS)和N,N-二乙基-3-氨基丙基三甲氧基硅烷(DAPTMS)对DPI芯片进行了修饰,利用X射线光电子能谱比较了芯片上不同配基的密度,采用原子力显微镜(AFM)和DPI对界面上BSA吸附行为进行了研究.结果表明APTES修饰界面上BSA呈饼状,高配基密度易导致BSA多位点吸附.相同偶联密度条件下BSA在DAPTMS修饰芯片的吸附量高于MAPTMS修饰芯片,但吸附层厚度一致,表明DAPTMS表面上BSA存在聚集现象;AFM扫描结果与DPI分析结果

  4. Effect of inorganic and organic ligands on the sorption/desorption of arsenate on/from Al-Mg and Fe-Mg layered double hydroxides

    Science.gov (United States)

    Caporale, A. G.; Pigna, M.; Dynes, J. J.; Cozzolino, V.; Zhu, J.; Violante, A.

    2012-04-01

    In recent decades, a class of anionic clays known as layered double hydroxides (LDHs) has attracted substantial attention due to the potential use in many applications, such as photochemistry, electrochemistry, polymerization, magnetization and biomedical science. There has also been considerable interest in using LDHs as adsorbents to remove environmental contaminants due to their large surface area, high anion exchange capacity and good thermal stability. We studied the sorption of arsenate on Al-Mg and Fe-Mg layered double hydroxides (easily reproducible at low-cost) as affected by pH and varying concentrations of inorganic (nitrate, nitrite, phosphate, selenite and sulphate) and organic (oxalate and tartrate) ligands, ii) the effect of residence time on the arsenate desorption by these ligands, and iii) the kinetics of arsenate desorption by phosphate. The Fe-Mg-LDH sorbed nearly twice the amount of arsenate compared to the Al-Mg-LDH, due, in part, to its greater surface area and lower degree of crystallinity. Moreover, the Fe-Mg-LDH sorbed more arsenate than phosphate, in contrast to the Al-Mg-LDH, which adsorbed more phosphate than arsenate, probably because of the greater affinity of arsenate than phosphate for Fe sites and, vice versa, the greater affinity of phosphate than arsenate for Al sites. Arsenate sorption onto samples decreased by increasing pH, due, maybe, to the high affinity of hydroxyl ions for LDHs and/or to the value of zero point charge of two sorbents. The rate of decline in the amount of arsenate sorbed was, however, relatively constant, decreasing the fastest for the Fe-Mg-LDH compared to the Al-Mg-LDH. The capacity of ligands to inhibit the fixation of arsenate followed the sequence: nitrate tartrate tartrate anions have a stronger affinity for Fe than Al and for the presence in Fe-Mg-LDH of short-range-ordered materials on which arsenate forms very strong inner-sphere complexes not easily desorbable by competing ligands. The longer the

  5. Significance of axial length monitoring in children with congenital cataract and update of measurement methods.

    Science.gov (United States)

    Zhan, Jiao; Lin, Haotian; Zhang, Xinyu; Chen, Weirong; Liu, Yizhi

    2013-06-01

    Congenital cataract is the main cause of blindness in children, with significantly varying treatment effects. The development of axial length is an important factor that affects the prognosis of these children. However, when compared with the eyes of normal children, the mechanism of growth of the axial length is so complicated that the reported findings differ significantly in terms of the measuring apparatus, assessment methods, and statistical outcome, making the rule of axial length development still unclear. In this paper, we first review the process of axial length development in normal healthy children and compare different hypotheses about certain factors that could affect the development of axial length. The results of some current research about the characteristics of axial length development in congenital cataract children are then reviewed. Lastly, the advantages and disadvantages of current axial length measurements methods are compared and analyzed. The purpose of this review is to improve our understanding of the complexity and importance of axial length development and to suggest better use of axial length monitoring measurements in congenital cataract children for pediatric ophthalmologists, with the hope of offering assistance that will enhance long-term therapeutic effects for these children.

  6. Dynamic Behavior of Axially Functionally Graded Pipes Conveying Fluid

    Directory of Open Access Journals (Sweden)

    Chen An

    2017-01-01

    Full Text Available Dynamic behavior of axially functionally graded (FG pipes conveying fluid was investigated numerically by using the generalized integral transform technique (GITT. The transverse vibration equation was integral transformed into a coupled system of second-order differential equations in the temporal variable. The Mathematica’s built-in function, NDSolve, was employed to numerically solve the resulting transformed ODE system. Excellent convergence of the proposed eigenfunction expansions was demonstrated for calculating the transverse displacement at various points of axially FG pipes conveying fluid. The proposed approach was verified by comparing the obtained results with the available solutions reported in the literature. Moreover, parametric studies were performed to analyze the effects of Young’s modulus variation, material distribution, and flow velocity on the dynamic behavior of axially FG pipes conveying fluid.

  7. Liquid Axial Mixing in Packed Tower at Elevated Pressure

    Institute of Scientific and Technical Information of China (English)

    唐忠利; 张鹏; 等

    2003-01-01

    Liquid phase axial mixing was measured with the tracer technique in a packed column with inner diameter of 0.15m,in which the structured packing,Mellapak 350Y,was installed.Tap water as the liquid phase flowed down through the column and stagnant gas was at elevated pressure ranging from atmospheric to 2.0MPa.The model parameters of Bo andθwere estimated with the least square method in the time domain.As liquid flow rate was increased,the liquid axial mixing decreased.under our experimental conditions,the effect of pressure on Bo number on single liquid phase was negligible,and eddy diffusion was believed to be the primary cause of axial mixing in liquid phase.

  8. Investigation of Aluminum-Copper Tube Hydroforming with Axial Feeding

    Science.gov (United States)

    Parto D., M.; Seyedkashi, S. M. H.; Liaghat, Gh.; Naeini, H. Moslemi; Panahizadeh R., V.

    2011-01-01

    Hydroforming of a two-layered Aluminum-Copper tube is investigated numerically and experimentally. Pressure is applied through a nonlinear path along with symmetrical axial feeding. ABAQUS/Explicit commercial code is used for finite element simulation of the process. ASTM C11000 Copper alloy is used as inner layer and ASTM AA1050A Aluminum alloy is used as outer layer. The simulation results show that the part can be successfully formed under internal pressure of 40 MPa with 8 mm axial displacement. Stress distributions on both inner and outer tubes are compared and maximum thinning on their wall is also discussed. Different friction conditions are applied on the process using different coefficients of friction and their effects are investigated on thinning percentage of inner and outer tubes and also on axial feeding. It is observed that finite element results are in good agreement with experimental results.

  9. Numerical analysis of cavitation within slanted axial-flow pump

    Institute of Scientific and Technical Information of China (English)

    张睿; 陈红勋

    2013-01-01

    In this paper, the cavitating flow within a slanted axial-flow pump is numerically researched. The hydraulic and cavitation performance of the slanted axial-flow pump under different operation conditions are estimated. Compared with the experimental hydraulic performance curves, the numerical results show that the filter-based model is better than the standard k-e model to predict the parameters of hydraulic performance. In cavitation simulation, compared with the experimental results, the proposed numerical method has good predicting ability. Under different cavitation conditions, the internal cavitating flow fields within slanted axial-flow pump are investigated. Compared with flow visualization results, the major internal flow features can be effectively grasped. In order to explore the origin of the cavitation performance breakdown, the Boundary Vorticity Flux (BVF) is introduced to diagnose the cavitating flow fields. The analysis results indicate that the cavitation performance drop is relevant to the instability of cavitating flow on the blade suction surface.

  10. System Study for Axial Vane Engine Technology

    Science.gov (United States)

    Badley, Patrick R.; Smith, Michael R.; Gould, Cedric O.

    2008-01-01

    The purpose of this engine feasibility study was to determine the benefits that can be achieved by incorporating positive displacement axial vane compression and expansion stages into high bypass turbofan engines. These positive-displacement stages would replace some or all of the conventional compressor and turbine stages in the turbine engine, but not the fan. The study considered combustion occurring internal to an axial vane component (i.e., Diesel engine replacing the standard turbine engine combustor, burner, and turbine); and external continuous flow combustion with an axial vane compressor and an axial vane turbine replacing conventional compressor and turbine systems.

  11. Recent Results on High-Pressure Axial Blowers

    Science.gov (United States)

    Eckert, B.

    1947-01-01

    Considerable progress has, in recent times, been attained in the development of the high-pressure axial blower by well-planned research. The efforts are directed toward improving the efficiencies, which are already high for the axial blower, and in particular the delivery pressure heads. For high pressures multistage arrangements are used. Of fundamental importance is the careful design of all structural parts of the blower that are subject to the effects of the flow. In the present report, several recent results and experiences are reported, which are based on results of German engine research.

  12. Vector and Axial Currents in Wilson Chiral Perturbation Theory

    CERN Document Server

    Aoki, Sinya; Sharpe, Stephen R

    2009-01-01

    We reconsider the construction of the vector and axial-vector currents in Wilson Chiral Perturbation Theory (WChPT), the low-energy effective theory for lattice QCD with Wilson fermions. We discuss in detail the finite renormalization of the currents that has to be taken into account in order to properly match the currents. We explicitly show that imposing the chiral Ward identities on the currents does, in general, affect the axial-vector current at O(a). As an application of our results we compute the pion decay constant to one loop in the two flavor theory. Our result differs from previously published ones.

  13. Self-collimated axial jets from thin accretion disks

    CERN Document Server

    Tirabassi, Giulio; Carlevaro, Nakia; Benini, Riccardo

    2012-01-01

    We show how an appropriate stationary crystalline structure of the magnetic field can induce a partial fragmentation of the accretion disk, generating an axial jet composed of hot rising plasma twisted in a funnel-like structure by the rotation of the system. The most important feature of the obtained jet is its high degree of collimation, naturally arising from the condition for its existence. The presence of non-zero dissipative effects allows the plasma ejection throughout the axial jet and the predicted values of the accretion rate are in agreement with observations.

  14. Instability of Meridional Axial System in f(R) Gravity

    CERN Document Server

    Sharif, M

    2015-01-01

    We analyze dynamical instability of non-static reflection axial stellar structure by taking into account generalized Euler's equation in metric $f(R)$ gravity. Such an equation is obtained by contracting Bianchi identities of usual anisotropic and effective stress-energy tensors, which after using radial perturbation technique gives modified collapse equation. In the realm of $R+\\epsilon R^n$ gravity model, we investigate instability constraints at Newtonian and post-Newtonian approximations. We find that instability of meridional axial self-gravitating system depends upon static profile of structure coefficients while $f(R)$ extra curvature terms induce stability to the evolving celestial body.

  15. Differential Effects of Structural Modifications on the Competition of Chalcones for the PIB Amyloid Imaging Ligand-Binding Site in Alzheimer's Disease Brain and Synthetic Aβ Fibrils.

    Science.gov (United States)

    Fosso, Marina Y; McCarty, Katie; Head, Elizabeth; Garneau-Tsodikova, Sylvie; LeVine, Harry

    2016-02-17

    Alzheimer's disease (AD) is a complex brain disorder that still remains ill defined. In order to understand the significance of binding of different clinical in vivo imaging ligands to the polymorphic pathological features of AD brain, the molecular characteristics of the ligand interacting with its specific binding site need to be defined. Herein, we observed that tritiated Pittsburgh Compound B ((3)H-PIB) can be displaced from synthetic Aβ(1-40) and Aβ(1-42) fibrils and from the PIB binding complex purified from human AD brain (ADPBC) by molecules containing a chalcone structural scaffold. We evaluated how substitution on the chalcone scaffold alters its ability to displace (3)H-PIB from the synthetic fibrils and ADPBC. By comparing unsubstituted core chalcone scaffolds along with the effects of bromine and methyl substitution at various positions, we found that attaching a hydroxyl group on the ring adjacent to the carbonyl group (ring I) of the parent member of the chalcone family generally improved the binding affinity of chalcones toward ADPBC and synthetic fibrils F40 and F42. Furthermore, any substitution on ring I at the ortho-position of the carbonyl group greatly decreases the binding affinity of the chalcones, potentially as a result of steric hindrance. Together with the finding that neither our chalcones nor PIB interact with the Congo Red/X-34 binding site, these molecules provide new tools to selectively probe the PIB binding site that is found in human AD brain, but not in brains of AD pathology animal models. Our chalcone derivatives also provide important information on the effects of fibril polymorphism on ligand binding.

  16. 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.

  17. 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.

  18. Effect of second ligand on the luminescence of Samarium (III) dibenzoylmethane complexes: Syntheses, crystal structures, thermal analysis and luminescence study

    Indian Academy of Sciences (India)

    Muhammad Idiris Saleh; Min Yee Choo; Tai Wei Chan; Mohd R Razali

    2015-12-01

    The ternary complexes of Sm(III) with dibenzoylmethane (dbm) were synthesized by introducing 1,10-phenanthroline (phen), 4,7-dimethyl-1,10-phenanthroline (dmphen), 3,4,7,8-tetramethyl-1,10-phenanthroline (tmphen), 4,7-diphenyl-1,10-phenanthroline (dpphen), 2,2-bipyridyl (bpy), 4,4’-dimethyl-2,2-bipyridyl (4,4-dmbpy), 5,5’-dimethyl-2,2-bipyridyl (5,5-dmbpy) and 4,4’-di-tert-butyl-2,2-bipyridyl (4,4-dtbbpy) as a second ligand. The complexes were isolated and characterized by elemental analysis (CHN), thermogravimetric analysis (TGA), IR spectroscopy, luminescence spectroscopy and single crystal X-ray diffraction. Structural study shows that in all complexes Sm(III) is in square antiprism geometry. All complexes emit strong luminescence under ultraviolet excitation. The strongest emission is at 643 nm which can be assigned for 4G5/2 to 6H9/2 transition, equivalent to energy of 15550 cm−1. The addition of the second ligand has increased the emission intensity of the complexes while the transition is maintained.

  19. 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.

  20. Highly selective ligand binding by Methylophilus methylotrophus cytochrome c''.

    Science.gov (United States)

    Quintas, Pedro O; Catarino, Teresa; Todorovic, Smilja; Turner, David L

    2011-06-28

    Cytochrome c'' (cyt c'') from Methylophilus methylotrophus is unusual insofar as the heme has two axial histidine ligands in the oxidized form but one is detached when the protein is reduced. Despite cyt c'' having an axial site available for binding small ligands, we show here that only NO binds readily to the ferrous cyt c''. Binding of CO, as well as CN(-), on the other hand requires considerable structural reorganization, or reduction of the disulfide bridge close to the heme. Standard free energies for the binding of NO and CO reveal high selectivity of the ferrous cyt c'' for NO, indicating its putative physiological role. In this work, we characterize in detail the kinetics of NO binding and the structural features of the Fe(2+)-NO adduct by stopped-flow and resonance Raman spectroscopy, respectively.

  1. Effect of mesogenic ligands on short and long-term spectral dynamics and stability of core-shell CdSe/ZnS quantum dots

    Science.gov (United States)

    Jussi Amaral, Jose; Betady, Edwin; Quint, Makiko T.; Martin, Denzal; Riahinasab, Sheida T.; Hirst, Linda S.; Ghosh, Sayantani

    2016-10-01

    Surface modification is a versatile and effective route towards improving functional and structural characteristics of chemically synthesized nanomaterials. In the specific case of semiconducting nanoparticles (quantum dots (QDs)) the photophysical properties are strongly tied to surface conditions. Therefore, a careful monitoring of photoluminescent (PL) behavior, both short and long term, is critical following alterations to their surface chemistry. We observe several noteworthy changes in the static and dynamic PL spectra of CdSe/ZnS core-shell QDs when the as-grown native ligands are exchanged with two different mesogenic ligands—rod-like molecules attached to the particle by a flexible alkyl chain. These include reduced inter-dot energy transfer, stable recombination rates and steady emission color over more than an hour of continuous photo-excitation, all effects being more prominent in the sample with the longer attachment chain. Temperature dependence of PL and recombination rates reveals further differences. Thermally activated PL recovery threshold is pushed to a higher temperature in the modified dots, while PL lifetime does not show the expected increase with decreasing temperature. Our results indicate that increased charge separation induced by the longer ligands is responsible for these effects, and this may be a route to fabricating QD films for specific applications demanding long term emission color stability.

  2. Effects of blade thickness on performance of axial flow pump and analysis of internal flow field%叶片厚度对轴流泵性能影响及内部流场分析

    Institute of Scientific and Technical Information of China (English)

    沙毅; 侯丽艳

    2012-01-01

    In order to investigate the variable-thickness performance of blade in a axial flow pump, a QY90-4.4-1.5 submersible axial flow pump with specific speed 550 and rotate velocity 2900 r/min, especially its particular impeller and guide vane has been designed on the basis of arc method and streamline method. Based on experiments with increasing in leaf thickness, the reason about the difference among curves of qv-H, qv-P, qv-tj were studied. The three-dimensional internal flow with effect of impeller blade thickness within axial flow has been numerically simulated by CFD, both the relative velocity distribution on the optimal condition and static pressure distribution on the different condition of blade surface were obtained. It can be revealed that pump performance with thin blade was improved, but the anti-cavitation was reduced. It also can be showed that the situations of flow separation, backflow and secondary flow were more serious for the thick blades, which were the main reasons for the low efficiency of pump.%为研究叶片厚度对轴流泵性能影响及其内部流场变化规律,该文采用圆弧法和流线法进行比转速550、转速2 900 r/min的QY90-4.4-1.5型潜水轴流泵水力模型设计,完成产品开发及样机型式试验.通过加厚叶轮叶片进行对比试验,阐明泵流量—扬程、流量—轴功率和流量—效率曲线产生差别的原因.采用计算流体动力学(CFD)方法进行叶片厚度对流场影响的数值计算,得到最优工况叶片表面相对速度分布和不同工况叶片表面静压分布.经过分析,阐明薄叶片总体性能优于厚叶片,但抗汽蚀性能可能劣于厚叶片.厚叶片翼型脱流、叶片进出口出现回流及二次流情况更为严重,水力损失较大,是泵效率等性能参数偏低的主要原因.

  3. 转位角对串联式轴向柱塞泵流量脉动的影响%Effects of index angle on flow ripple of a tandem axial piston pump

    Institute of Scientific and Technical Information of China (English)

    Bing XU; Shao-gan YE; Jun-hui ZHANG

    2015-01-01

    A high noise level is one of the prominent shortcomings of an axial piston pump which is widely used in industrial and mobile applications. In this paper, a simulation model of an axial piston pump is developed based on a single piston cham-ber model, for capturing the dynamic characteristics of the discharge flow rate. The compressibility of fluid and main leakages across different friction pairs are considered. The simulation model is validated by a comparison of discharge flow ripple with the measured results using the secondary source method. The main cause of flow ripple is identified by a comparison of the fre-quency spectrums of actual and kinematic flow ripples. Flow rates with different index angles are analyzed in time and frequen-cy domains. The findings show that an index angle of 20° is the most effective in reducing the flow ripple of a tandem axial piston pump, because the frequency contents at odd harmonics can be cancelled out. A sensitivity analysis is conducted at dif-ferent pressure levels, speeds, and displacement angles, which reveals that with an index angle of 20°, the sensitivity of flow ripple can be reduced by almost 50% over a wide variety of working conditions.%目的:探索转位角对串联泵出口流量脉动的影响,揭示转位角对流量脉动的影响机理,获得最佳转位角以减小流量脉动,以及探索转位角对工况的敏感性。方法:1.建立基于单柱塞腔模型的单柱塞泵模型,求解其出口流量脉动特性;2.研究不同转位角下串联泵的出口流量脉动,优选转位角;3.对比不同转位角下出口流量脉动对工况的敏感性。结论:1.对于单个转子使用九柱塞的串联式轴向柱塞泵,最佳转位角是20°,因该角度可消除流量脉动在奇数阶次下的幅值;2.在大范围工况下,转位角为20°时可减小约50%的流量脉动。

  4. The Emergence of Axial Parts

    Directory of Open Access Journals (Sweden)

    Peter Svenonius

    2007-01-01

    Full Text Available Many languages have specialized locative words or morphemes translating roughly into words like ‘front,’ ‘back,’ ‘top,’ ‘bottom,’ ‘side,’ and so on. Often, these words are used instead of more specialized adpositions to express spatial meanings corresponding to ‘behind,’ ‘above,’ and so on. I argue, on the basis of a cross-linguistic survey of such expressions, that in many cases they motivate a syntactic category which is distinct from both N and P, which I call AxPart for ‘Axial Part’; I show how the category relates to the words which instantiate it, and how the meaning of the construction is derived from the combination of P[lace] elements, AxParts, and the lexical material which expresses them.

  5. Unsteady Flows in Axial Turbomachines

    Science.gov (United States)

    Marble, F. E.; Rannie, W. D.

    1957-01-01

    Of the various unsteady flows that occur in axial turbomachines certain asymmetric disturbances, of wave length large in comparison with blade spacing, have become understood to a certain extent. These disturbances divide themselves into two categories: self-induced oscillations and force disturbances. A special type of propagating stall appears as a self-induced disturbance; an asymmetric velocity profile introduced at the compressor inlet constitutes a forced disturbance. Both phenomena have been treated from a unified theoretical point of view in which the asymmetric disturbances are linearized and the blade characteristics are assumed quasi-steady. Experimental results are in essential agreement with this theory wherever the limitations of the theory are satisfied. For the self-induced disturbances and the more interesting examples of the forced disturbances, the dominant blade characteristic is the dependence of total pressure loss, rather than the turning angle, upon the local blade inlet angle.

  6. Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of Aquacobalamin.

    Science.gov (United States)

    Johnston, Ryne C; Zhou, Jing; Smith, Jeremy C; Parks, Jerry M

    2016-08-04

    Redox processes in complex transition metal-containing species are often intimately associated with changes in ligand protonation states and metal coordination number. A major challenge is therefore to develop consistent computational approaches for computing pH-dependent redox and ligand dissociation properties of organometallic species. Reduction of the Co center in the vitamin B12 derivative aquacobalamin can be accompanied by ligand dissociation, protonation, or both, making these properties difficult to compute accurately. We examine this challenge here by using density functional theory and continuum solvation to compute Co-ligand binding equilibrium constants (Kon/off), pKas, and reduction potentials for models of aquacobalamin in aqueous solution. We consider two models for cobalamin ligand coordination: the first follows the hexa, penta, tetra coordination scheme for Co(III), Co(II), and Co(I) species, respectively, and the second model features saturation of each vacant axial coordination site on Co(II) and Co(I) species with a single, explicit water molecule to maintain six directly interacting ligands or water molecules in each oxidation state. Comparing these two coordination schemes in combination with five dispersion-corrected density functionals, we find that the accuracy of the computed properties is largely independent of the scheme used, but including only a continuum representation of the solvent yields marginally better results than saturating the first solvation shell around Co throughout. PBE performs best, displaying balanced accuracy and superior performance overall, with RMS errors of 80 mV for seven reduction potentials, 2.0 log units for five pKas and 2.3 log units for two log Kon/off values for the aquacobalamin system. Furthermore, we find that the BP86 functional commonly used in corrinoid studies suffers from erratic behavior and inaccurate descriptions of Co-axial ligand binding, leading to substantial errors in predicted pKas and

  7. Axial dispersion in packed bed reactors involving viscoinelastic and viscoelastic non-Newtonian fluids.

    Science.gov (United States)

    Gupta, Renu; Bansal, Ajay

    2013-08-01

    Axial dispersion is an important parameter in the performance of packed bed reactors. A lot of fluids exhibit non-Newtonian behaviour but the effect of rheological parameters on axial dispersion is not available in literature. The effect of rheology on axial dispersion has been analysed for viscoinelastic and viscoelastic non-Newtonian fluids. Aqueous solutions of carboxymethyl cellulose and polyacrylamide have been chosen to represent viscoinelastic and viscoelastic liquid-phases. Axial dispersion has been measured in terms of BoL number. The single parameter axial dispersion model has been applied to analyse RTD response curve. The BoL numbers were observed to increase with increase in liquid flow rate and consistency index 'K' for viscoinelastic as well as viscoelastic fluids. Bodenstein correlation for Newtonian fluids proposed has been modified to account for the effect of fluid rheology. Further, Weissenberg number is introduced to quantify the effect of viscoelasticity.

  8. Ligand binding mechanics of maltose binding protein.

    Science.gov (United States)

    Bertz, Morten; Rief, Matthias

    2009-11-13

    In the past decade, single-molecule force spectroscopy has provided new insights into the key interactions stabilizing folded proteins. A few recent studies probing the effects of ligand binding on mechanical protein stability have come to quite different conclusions. While some proteins seem to be stabilized considerably by a bound ligand, others appear to be unaffected. Since force acts as a vector in space, it is conceivable that mechanical stabilization by ligand binding is dependent on the direction of force application. In this study, we vary the direction of the force to investigate the effect of ligand binding on the stability of maltose binding protein (MBP). MBP consists of two lobes connected by a hinge region that move from an open to a closed conformation when the ligand maltose binds. Previous mechanical experiments, where load was applied to the N and C termini, have demonstrated that MBP is built up of four building blocks (unfoldons) that sequentially detach from the folded structure. In this study, we design the pulling direction so that force application moves the two MBP lobes apart along the hinge axis. Mechanical unfolding in this geometry proceeds via an intermediate state whose boundaries coincide with previously reported MBP unfoldons. We find that in contrast to N-C-terminal pulling experiments, the mechanical stability of MBP is increased by ligand binding when load is applied to the two lobes and force breaks the protein-ligand interactions directly. Contour length measurements indicate that MBP is forced into an open conformation before unfolding even if ligand is bound. Using mutagenesis experiments, we demonstrate that the mechanical stabilization effect is due to only a few key interactions of the protein with its ligand. This work illustrates how varying the direction of the applied force allows revealing important details about the ligand binding mechanics of a large protein.

  9. Stabilization of hexa-coordinated P(v) corroles by axial silyloxy groups.

    Science.gov (United States)

    Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli

    2016-05-04

    We report the stabilization of the hexa-coordination environment for P(v) corroles by using alkyl/aryl substituted silyloxy groups as axial ligands. The P(v) corroles are highly fluorescent in a hexa-coordination environment compared to in a penta-coordination environment. However, P(v) corroles generally undergo axial ligand dissociation to form a mixture of penta- and hexa-coordinated P(v) corroles in non-coordinating solvents such as toluene, CH2Cl2, CHCl3. The usage of moderately bulkier and electron-donating silyloxy groups helps to restrict the axial ligand dissociation of silyloxy substituted hexa-coordinated P(v) corroles in non-coordinating solvents. The crystal structure confirmed the hexa-coordination geometry for the P(v) corroles. The P(v) corroles strongly absorb and emit in the visible region, with decent quantum yields and singlet state lifetimes. The hexa-coordinated P(v) corroles are highly stable under electrochemical conditions.

  10. Preparation, characterization, and antitumor activity of new ethylenediamine platinum(IV) complexes containing mixed carboxylate ligands.

    Science.gov (United States)

    Khokhar, A R; Deng, Y; Kido, Y; Siddik, Z H

    1993-05-01

    A series of ethylenediamine platinum(IV) complexes of the type PtIV(en)XA2 and PtIV(en)X'2A2, where X = 1,1-cyclobutanedicarboxylato or malonato, X' = chloro, cyclobutanecarboxylato, cyclopentanecarboxylato, or cyclohexanecarboxylato, and A = acetato or trifluoroacetato were synthesized and characterized by elemental analysis, infrared, and NMR (13C and 195Pt) spectroscopic techniques. These compounds had good to excellent antitumor activity against murine leukemia L1210 cells. Complexes with axial trifluoroacetate groups were superior to those with acetate ligands. Those possessing both axial trifluoroacetate groups and monodentate bis-carboxylate ligands in the equatorial positions were the most active in the series investigated.

  11. Open-shell organometallics: reactivity at the ligand

    NARCIS (Netherlands)

    W.I. Dzik; B. de Bruin

    2011-01-01

    The purpose of this review is to show that (cooperative) ligand radical reactivity can be effectively employed in synthetic organometallic chemistry and catalysis to achieve selectivity in radical-type transformations. The ‘redox non-innocence’ of ligands, and the controlled reactivity of ‘ligand ra

  12. Elastic analysis of thermal gradient bowing in rod-type fuel elements subjected to axial thrust (LWBR Development Program)

    Energy Technology Data Exchange (ETDEWEB)

    Newman, J.B.

    1968-01-01

    Thermal radient bowing of rod type fuel elements can be analyzed in terms of the deflections of a precurved beam. The fundamental aspects of an analysis of axially compressed multispan beams are given. Elasticity of supports in both axial and transverse directions is considered; the technique is applicable to problems in which the axial thrust depends on the transverse deflection as well as problems with prescribed axial thrust. The formulas presented constitute the theory for a computer program of broad applicability, not only in the analysis of fuel rod bowing, but also to almost any multispan beam, particularly when the effects of axial loads cannot be neglected. 17 references. (NSA 22: 22866)

  13. Effect of BladeTip Clearance on the Internal Fluid Field in Axial-Flow Fan%叶顶间隙对轴流风机内部流场影响的研究

    Institute of Scientific and Technical Information of China (English)

    刘洋; 杨志刚

    2013-01-01

    A large axial-flow fan with different blade tip clearances were simulated in the design-condition by CFD software based on Realizable k-εturbulence model and SIMPLE algorithm. The effect of different tip clearances on the performance of the axial-flow fan and the outlet velocity and pressure were discussed. The formation of leakage flow and leakage vortex was investigated. The numerical results showed that the decline trend of the performance with tip clearance size increasing. The impact of the leakage flow on outlet velocity, total pressure, and turbulence kinetic energy was huge. The leakage vortex was formed by leakage flow entraining with main stream and it will be influenced by the tip clearance size.%  基于Realizable k-ε湍流模型和 SIMPLE 算法,对某轴流式通风机在不同叶顶间隙下进行了设计工况时的数值模拟。讨论了不同叶顶间隙大小对风机性能的影响,分析了叶轮出口截面速度、压力等参数的分布以及叶顶泄漏流和泄漏涡随间隙大小的变化情况。数值结果表明,随叶顶间隙逐渐增大,风机性能不断下降;叶轮出口截面速度、总压和湍动能大小受间隙泄漏流的影响明显;泄漏涡由泄漏流与主流发生卷吸而形成,且泄漏涡会受到间隙大小的影响。

  14. Synergistic antidepressant-like effect of the joint administration of caffeine and NMDA receptor ligands in the forced swim test in mice.

    Science.gov (United States)

    Serefko, Anna; Szopa, Aleksandra; Wlaź, Aleksandra; Wośko, Sylwia; Wlaź, Piotr; Poleszak, Ewa

    2016-04-01

    The optimal treatment of depressed patients remains one of the most important challenges concerning depression. The identification of the best treatment strategies and development of new, safer, and more effective agents are crucial. The glutamatergic system seems to be a promising drug target, and consequently the use of the NMDA receptor ligands, particularly in co-administration with other substances exerting the antidepressant activity, has emerged among the new ideas. The objective of this study was to examine the effect of caffeine on the performance of mice treated with various NMDA modulators in the forced swim test. We demonstrated a significant interaction between caffeine (5 mg/kg) and the following NMDA receptor ligands: MK-801 (an antagonist binding in the ion channel, 0.05 mg/kg), CGP 37849 (an antagonist of the glutamate site, 0.312 mg/kg), L-701,324 (an antagonist of the glycine site, 1 mg/kg), and D-cycloserine (a high-efficacy partial agonist of the glycine site, 2.5 mg/kg), while the interaction between caffeine and the inorganic modulators, i.e., Zn(2+) (2.5 mg/kg) and Mg(2+) (10 mg/kg), was not considered as significant. Based on the obtained results, the simultaneous blockage of the adenosine and NMDA receptors may be a promising target in the development of new antidepressants.

  15. Air-Stable Gold Nanoparticles Ligated by Secondary Phosphine Oxides as Catalyst for the Chemoselective Hydrogenation of Substituted Aldehydes: a Remarkable Ligand Effect.

    Science.gov (United States)

    Cano, Israel; Huertos, Miguel A; Chapman, Andrew M; Buntkowsky, Gerd; Gutmann, Torsten; Groszewicz, Pedro B; van Leeuwen, Piet W N M

    2015-06-24

    Air-stable and homogeneous gold nanoparticles (AuNPs, 1a-5a) ligated by various secondary phosphine oxides (SPOs), [R(1)R(2)P(O)H] (R(1) = Naph, R(2) = (t)Bu, L1; R(1) = R(2) = Ph, L2; R(1) = Ph, R(2) = Naph, L3; R(1) = R(2) = Et, L4; R(1) = R(2) = Cy, L5; R(1) = R(2) = (t)Bu, L6), with different electronic and steric properties were synthesized via NaBH4 reduction of the corresponding Au(I)-SPO complex. These easily accessible ligands allow the formation of well dispersed and small nanoparticles (size 1.2-2.2 nm), which were characterized by the use of a wide variety of techniques, such as transmission electron microscopy, thermogravimetric analysis, UV-vis, energy-dispersive X-ray, X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR), and cross polarization magic angle spinning (CP MAS) NMR spectroscopy. A pronounced ligand effect was found, and CP MAS NMR experiments enabled us to probe important differences in the polarity of the P-O bond of the SPOs coordinated to the nanoparticle surface depending on the type of substituents in the ligand. AuNPs containing aryl SPOs carry only SPO anions and are highly selective for aldehyde hydrogenation. AuNPs of similar size made with alkyl SPOs contain also SPOH, hydrogen bonded to SPO anions. As a consequence they contain less Au(I) and more Au(0), as is also evidenced by XPS. They are less selective and active in aldehyde hydrogenation and now show the typical activity of Au(0)NPs in nitro group hydrogenation.

  16. Highly active double metal cyanide complexes: Effect of central metal and ligand on reaction of epoxide/CO2

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Various novel double metal cyanide (DMC) catalysts were successfully prepared by modifying the central metal (M) and one of cyanide ion (CN-) in Zna[M(CN)b]c complex. Such modifications have significant impact on the catalytic efficiency as well as the polymer selectivity for the reaction of PO/CO2. Zn-Ni(Ⅱ) DMC is a potential catalyst for alternating copolymerization of PO/CO2,and DMC catalysts based on Zn3[Co(CN)5X]2 (X = Br- and N3-) exhibit moderate efficiency for the production of polycarbonates.This research presents the preliminary exploration of novel DMC complex via chemical modification of its central metal and ligand.(C) 2007 Guo Rong Qi. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  17. Opposing effects of the anesthetic propofol at pentameric ligand-gated ion channels mediated by a common site

    DEFF Research Database (Denmark)

    Lynagh, Timothy Peter; Laube, Bodo

    2014-01-01

    Propofol is an intravenous general anesthetic that alters neuronal excitability by modulating agonist responses of pentameric ligand-gated ion channels (pLGICs). Evidence suggests that propofol enhancement of anion-selective pLGICs is mediated by a binding site between adjacent subunits, whereas...... in Xenopus laevis oocytes with electrophysiology. The Haemonchus contortus AVR-14B GluCl was inhibited by propofol with an IC50 value of 252 ± 48 μM, providing the first example of propofol inhibition of an anion-selective pLGIC. Remarkably, inhibition was converted to enhancement by a single I18'S...... substitution in the channel-forming M2 helix (EC50 = 979 ± 88 μM). When a previously identified site between adjacent subunits was disrupted by the M3 G329I substitution, both propofol inhibition and enhancement of GluCls were severely impaired (IC50 and EC50 values could not be calculated). Similarly, when...

  18. Platinum-catalyzed direct amination of allylic alcohols under mild conditions: ligand and microwave effects, substrate scope, and mechanistic study.

    Science.gov (United States)

    Ohshima, Takashi; Miyamoto, Yoshiki; Ipposhi, Junji; Nakahara, Yasuhito; Utsunomiya, Masaru; Mashima, Kazushi

    2009-10-14

    Transition metal-catalyzed amination of allylic compounds via a pi-allylmetal intermediate is a powerful and useful method for synthesizing allylamines. Direct catalytic substitution of allylic alcohols, which forms water as the sole coproduct, has recently attracted attention for its environmental and economical advantages. Here, we describe the development of a versatile direct catalytic amination of both aryl- and alkyl-substituted allylic alcohols with various amines using Pt-Xantphos and Pt-DPEphos catalyst systems, which allows for the selective synthesis of various monoallylamines, such as the biologically active compounds Naftifine and Flunarizine, in good to high yield without need for an activator. The choice of the ligand was crucial toward achieving high catalytic activity, and we demonstrated that not only the large bite-angle but also the linker oxygen atom of the Xantphos and DPEphos ligands was highly important. In addition, microwave heating dramatically affected the catalyst activity and considerably decreased the reaction time compared with conventional heating. Furthermore, several mechanistic investigations, including (1)H and (31)P{(1)H} NMR studies; isolation and characterization of several catalytic intermediates, Pt(xantphos)Cl(2), Pt(eta(2)-C(3)H(5)OH)(xantphos), etc; confirmation of the structure of [Pt(eta(3)-allyl)(xantphos)]OTf by X-ray crystallographic analysis; and crossover experiments, suggested that formation of the pi-allylplatinum complex through the elimination of water is an irreversible rate-determining step and that the other processes in the catalytic cycle are reversible, even at room temperature.

  19. 3-D Simulation of Vertical-Axial Tidal Current Turbine

    Directory of Open Access Journals (Sweden)

    Zhiyang Zhang

    2016-12-01

    Full Text Available Vertical-axial tidal current turbine is the key for the energy converter, which has the advantages of simple structure, adaptability to flow and uncomplex convection device. It has become the hot point for research and application recently. At present, the study on the hydrodynamic performance of vertical-axial tidal current turbine is almost on 2-D numerical simulation, without the consideration of 3-D effect. CFD (Computational Fluid Dynamics method and blade optimal control technique are used to improve accuracy in the prediction of tidal current turbine hydrodynamic performance. Numerical simulation of vertical-axial tidal current turbine is validated. Fixed and variable deflection angle turbine are comparatively studied to analysis the influence of 3-D effect and the character of fluid field and pressure field. The method, put the plate on the end of blade, of reduce the energy loss caused by 3-D effect is proposed. The 3-D CFD numerical model of vertical-axial tidal current turbine hydrodynamic performance in this study may provide theoretical, methodical and technical reference for the optimal design of turbine.

  20. 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

  1. Substituent effects of N4 Schiff base ligands on the formation of fluoride-bridged dicobalt(ii) complexes via B-F abstraction: structures and magnetism.

    Science.gov (United States)

    Cho, Yae In; Ward, Meredith L; Rose, Michael J

    2016-09-14

    We report the synthesis of two fluoride bridged cobalt(ii) dimers - [Co(μ-F)(pnN4-PhCl)2(OH2)(MeCN)](BF4)3 (1) and [Co(μ-F)2(pnN4-PhCl)2](BF4)2 (2) - and related complexes derived from propyl-bridged N4 Schiff base plus pyridine ligands. Notably, the bridging fluoride ion(s) emanate from B-F abstraction processes on the BF4 anions in the starting salt, [Co(H2O)6](BF4)2. Two types of bridging motifs are generated - mono-bridged (μ-F) or di-bridged (μ-F)2- synthetically differentiated by the absence or presence of pyridine, respectively, during metalation. The synergistic roles of pyridine and the (ClPh)N4 ligand in promoting B-F abstraction were clarified by the isolation and crystallization of the simple tetrakis-pyridine monomeric complex [Co(py)4(MeCN)2](BF4)2 (4) [no B-F abstraction]; subsequent addition of the (ClPh)N4 ligand to 4 resulted in formation of the dimeric, di-bridged complex 2. Omission of pyridine during metalation resulted in formation of the mono-bridged dimer 1. The bulky chlorophenyl substituents were obligate for B-F abstraction, as metalation of the unsubstituted N4 ligand resulted in the non-fluoride-bridged dimer, [Co(pnN4)3](BF4)4 (3). In magnetic studies, complexes 1 (μeff = 6.24μB, 298 K) and 2 (μeff = 7.70μB, 298 K) both exhibit antiferromagnetic (AFM) coupling, but to different extents. Temperature-dependent magnetic susceptibility measurements (SQUID, 2 → 300 K) reveal that the linearity of the mono-fluoride bridge in 1 [∠Co-F-Co = 159.47(11)°] results in very strong AFM coupling (J = -14.9 cm(-1)). In contrast, the more acute Co2F2 diamond core [∠Co-F-Co = 98.8(2)°, 99.1(2)°] results in a smaller extent of AFM coupling (J = -2.97 cm(-1)). Overall, the results indicate the 'non-innocence' of the BF4 counterion in cobalt(ii) chemistry, and dimers 1 and 2 affirm the effect of the geometry of the bridging fluoride ion(s) in determining the extent of AFM coupling.

  2. 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......-ray crystallographic analyses, chemical correlation, and CD spectral analyses. The effects of the individual stereoisomers at ionotropic and metabotropic (S)-Glu receptors (iGluRs and mGluRs) were characterized. Compounds with S-configuration at the alpha-carbon generally showed mGluR2 agonist activity of similar...... limited effect on pharmacology. Structure-activity relationships at iGluRs in the rat cortical wedge preparation showed a complex pattern, some compounds being NMDA receptor agonists [e.g., EC(50) =110 microM for (2S,5RS)-5-methyl-AA (6a,b)] and some compounds showing NMDA receptor antagonist effects [e...

  3. The effect of substituents on the surface modification of anatase nanoparticles with catecholate-type ligands: a combined DFT and experimental study.

    Science.gov (United States)

    Savić, Tatjana D; Čomor, Mirjana I; Nedeljković, Jovan M; Veljković, Dušan Ž; Zarić, Snežana D; Rakić, Vesna M; Janković, Ivana A

    2014-10-14

    The surface modification of nanocrystalline TiO2 particles (45 Å) with catecholate-type ligands having different electron donating/electron withdrawing substituent groups, specifically 3-methylcatechol, 4-methylcatechol, 3-methoxycatechol, 3,4-dihydroxybenzaldehyde and 4-nitrocatechol, was found to alter the optical properties of nanoparticles in a similar way to catechol. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction of the effective band gap, being slightly less pronounced in the case of electron withdrawing substituents. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of the catecholate type (binuclear bidentate binding-bridging) thus restoring six-coordinated octahedral geometry of surface Ti atoms. From the absorption measurements (Benesi-Hildebrand plot), the stability constants in methanol/water = 90/10 solutions at pH 2 in the order of 10(3) M(-1) have been determined. The binding structures were investigated by using FTIR spectroscopy. Thermal stability of CT-complexes was investigated by using TG/DSC/MS analysis. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were compared with the experimental data.

  4. 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.

    Science.gov (United States)

    Frøsig, Thomas Mørch

    2015-08-01

    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 of new conditional ligands (reported in Paper IV). Many melanoma-associated T-cell epitopes have been described, but 45% of these are restricted to human leukocyte antigen (HLA)-A2, leaving the remaining 36 different HLA molecules with only a few described T-cell epitopes each. Therefore we wanted to expand the number of T-cell epitopes restricted to HLA-A1, -A3, -A11 and -B7, all HLA molecules frequently expressed in Caucasians in Western Europe and Northern America. In Paper I we focused on the proteins gp100, Mart1, MAGE-A3, NY-ESO-1, tyrosinase and TRP-2, all melanoma-associated antigens 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 of the T-cell recognition within peripheral blood mononuclear cell samples from melanoma patients. As spontaneous tumor-specific T-cell responses tend to be of very low frequency and probably below the detection threshold of the method, we incorporated a T-cell enrichment step prior to the detection of these responses. Our screening of 39 melanoma patients resulted in 26 (17 different) T-cell responses against the common melanoma-associated antigens and 10 (8 different) T

  5. Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.

    Directory of Open Access Journals (Sweden)

    Samuel DeLuca

    Full Text Available RosettaLigand has been successfully used to predict binding poses in protein-small molecule complexes. However, the RosettaLigand docking protocol is comparatively slow in identifying an initial starting pose for the small molecule (ligand making it unfeasible for use in virtual High Throughput Screening (vHTS. To overcome this limitation, we developed a new sampling approach for placing the ligand in the protein binding site during the initial 'low-resolution' docking step. It combines the translational and rotational adjustments to the ligand pose in a single transformation step. The new algorithm is both more accurate and more time-efficient. The docking success rate is improved by 10-15% in a benchmark set of 43 protein/ligand complexes, reducing the number of models that typically need to be generated from 1000 to 150. The average time to generate a model is reduced from 50 seconds to 10 seconds. As a result we observe an effective 30-fold speed increase, making RosettaLigand appropriate for docking medium sized ligand libraries. We demonstrate that this improved initial placement of the ligand is critical for successful prediction of an accurate binding position in the 'high-resolution' full atom refinement step.

  6. 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.

  7. [Analysis of the effect of contact strength on three-dimensional displacement of an implant-supported fixed bridge under axial-concentrated load using digital laser speckle photography].

    Science.gov (United States)

    Wang, Jun; Peng, Zhenzhen; Li, Aijie; Xu, Zujie; Chen, Xinmin

    2013-12-01

    The purpose of this study was to investigate the effect of four kinds of different contact strength on the three-dimensional displacement of an implant-supported fixed bridge using digital laser speckle photography method. An in vitro model of beagle mandible with an implant-supported fixed bridge in its right premolar region was developed. The bridge was Au-Pt metal-ceramic. The contact was recovered to four different tightnesses, named 0, 1, 2, and 3. Different axial concentrated static load was applied to abutments and bridge respectively. The three-dimensional displacement of the implant-supported fixed bridge was measured using digital laser speckle photographic method. The results demonstrated that the influence of contact tightness was mainly on the mesio-distal and buccal lingual parts. When the contact tightness reached number 3, the regularity of displacement distribution was changed. The present study proved that digital laser speckle photography was an effective method of measuring the micro-displacement. One of the criterions of contact recovering decreased the implant displacement effectively without changing the regularity of displacement distribution.

  8. Axial force measurement for esophageal function testing

    Institute of Scientific and Technical Information of China (English)

    Flemming H Gravesen; Peter Funch-Jensen; Hans Gregersen; Asbjφrn Mohr Drewes

    2009-01-01

    The esophagus serves to transport food and fluid from the pharynx to the stomach. Manometry has been the "golden standard" for the diagnosis of esophageal motility diseases for many decades. Hence, esophageal function is normally evaluated by means of manometry even though it reflects the squeeze 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 with combined axial force and manometry recordings showed that axial force amplitude increased by 130% in contrast to an increase of 30% using manometry. Using axial force in combination with manometry provides a more complete picture of esophageal motility, and the current paper outlines the advantages of using this method.

  9. Axial force measurement for esophageal function testing.

    Science.gov (United States)

    Gravesen, Flemming H; Funch-Jensen, Peter; Gregersen, Hans; Drewes, Asbjørn Mohr

    2009-01-14

    The esophagus serves to transport food and fluid from the pharynx to the stomach. Manometry has been the "golden standard" for the diagnosis of esophageal motility diseases for many decades. Hence, esophageal function is normally evaluated by means of manometry even though it reflects the squeeze 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 with combined axial force and manometry recordings showed that axial force amplitude increased by 130% in contrast to an increase of 30% using manometry. Using axial force in combination with manometry provides a more complete picture of esophageal motility, and the current paper outlines the advantages of using this method.

  10. 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.

  11. External anion effect on the synthesis of new MOFs based on formate and a twisted divergent ligands

    Energy Technology Data Exchange (ETDEWEB)

    Lago, Ana Belén, E-mail: ablago@uvigo.es [Departamento de Química Inorgánica/Facultade de Química, Instituto de Investigación Biomédica (IBI), Universidade de Vigo, E-36310 Vigo, Galicia (Spain); Carballo, Rosa [Departamento de Química Inorgánica/Facultade de Química, Instituto de Investigación Biomédica (IBI), Universidade de Vigo, E-36310 Vigo, Galicia (Spain); Lezama, Luis [BCMaterials & Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad del País Vasco (UPV/EHU), Apartado 644, 48080 Bilbao (Spain); Vázquez-López, Ezequiel M. [Departamento de Química Inorgánica/Facultade de Química, Instituto de Investigación Biomédica (IBI), Universidade de Vigo, E-36310 Vigo, Galicia (Spain)

    2015-11-15

    New copper(II) metal–organic compounds with the formulae [Cu{sub 3}Cl(HCO{sub 2}){sub 5}(SCS){sub 3}(H{sub 2}O){sub 2}]·8H{sub 2}O·EtOH (1) and [Cu{sub 3}(HCO{sub 2}){sub 4}(SCS){sub 4}(H{sub 2}O){sub 2}](NO{sub 3}){sub 2}·9H{sub 2}O (2) (SCS=bis(4-pyridylthio)methane) have been synthesized after a careful study of the reaction of the SCS ligand with copper(II) formate. The compounds were obtained in the presence of sodium chloride and nitrate salts under microwave irradiation. The influence of the anion at different metal/anion ratios on the final architecture has been studied. The new chloride-MOF 1 has been characterized by electron paramagnetic resonance (EPR), magnetic properties and single crystal X-ray diffraction studies. The thermal stability and topological analysis have also been investigated. - Highlights: • Microwave synthesis of coordination polymers. • Anion-derived structural changes. • Influence of anions at different metal/anion ratios on the final architectures. • EPR and magnetic characterization of a MOF compound.

  12. Effects of electron-deficient beta-diketiminate and formazan supporting ligands on copper(I)-mediated dioxygen activation.

    Science.gov (United States)

    Hong, Sungjun; Hill, Lyndal M R; Gupta, Aalo K; Naab, Benjamin D; Gilroy, Joe B; Hicks, Robin G; Cramer, Christopher J; Tolman, William B

    2009-05-18

    Copper(I) complexes of a diketiminate featuring CF(3) groups on the backbone and dimethylphenyl substituents (4) and a nitroformazan (5) were synthesized and shown by spectroscopy, X-ray crystallography, cyclic voltammetry, and theory to contain copper(I) sites electron-deficient relative to those supported by previously studied diketiminate complexes comprising alkyl or aryl backbone substituents. Despite their electron-poor nature, oxygenation of LCu(CH(3)CN) (L = 4 or 5) at room temperature yielded bis(hydroxo)dicopper(II) compounds and at -80 degrees C yielded bis(mu-oxo)dicopper complexes that were identified on the basis of UV-vis and resonance Raman spectroscopy, spectrophotometric titration results (2:1 Cu/O(2) ratio), electron paramagnetic resonance spectroscopy (silent), and density functional theory calculations. The bis(mu-oxo)dicopper complex supported by 5 exhibited unusual spectroscopic properties and decayed via a novel intermediate proposed to be a metallaverdazyl radical complex, findings that highlight the potential for the formazan ligand to exhibit "noninnocent" behavior.

  13. New Anomaly of the Axial-Vector Current

    Institute of Scientific and Technical Information of China (English)

    HE Han-Xin

    2001-01-01

    By computing the axial-vector current operator equation, we find the anomalous axial-vector curl equation besides the well-known anomalous axial-vector divergence equation (the Adler-Bell-Jackiw anomaly) and discuss its implication.``

  14. 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.

  15. Dynamic Behaviors of Axially Moving Viscoelastic Plate with Varying Thicknessn

    Institute of Scientific and Technical Information of China (English)

    ZHOU Yinfeng; WANG Zhongmin

    2009-01-01

    Structural components of varying thickness draw increasing attention these days due to economy and light-weight considerations. In view of the absence of research in vibration analysis of viscoelastic plate with varying thickness, this study devotes to investigate the dynamic behaviors of axially moving viscoelastic plate with varying thickness. Based on the thin plate theory and the two-dimensional viscoelastic differential constitutive relation, the differential equation of motion of the axially moving viscoelastic rectangular plate is derived, the plate constituted by Kelvin-Voigt model has linearly varying thickness in the y-direction. The dimensionless complex frequencies of axially moving viscoelastic plate with four edges simply supported are calculated by the differential quadrature method, curves of real parts and imaginary parts of the first three-order dimensionless complex frequencies versus dimensionless moving speed are obtained, the effects of the aspect ratio, thickness ratio, the dimensionless moving speed and delay time on the dynamic behaviors of the axially moving viscoelastic rectangular plate with varying thickness are analyzed. When other parameters keep constant, with the decrease of thickness ratio, the real parts of the first three-order natural frequencies decrease, and the critical divergence speeds of various modes decrease too, moreover, whether the delay time is large or small, the frequencies are all complex numbers.

  16. Etanercept for the treatment of non-radiographic axial spondyloarthritis.

    Science.gov (United States)

    Rios Rodriguez, Valeria; Poddubnyy, Denis

    2016-01-01

    Presently, tumor necrosis factor α antagonist therapy is the only effective alternative treatment to nonsteroidal anti-inflammatory drugs for the entire spectrum of axial spondyloarthritis, including non-radiographic and radiographic (=ankylosing spondylitis) forms. Recently, etanercept has been approved by the European Medicines Agency for the treatment of non-radiographic axial spondyloarthritis, increasing the number of available treatment options for this indication. The latest data on etanercept concerning clinical efficacy and safety in short-term and long-term treatment of patients with non-radiographic axial spondyloarthritis who do not respond to the first-line therapy with non-steroidal anti-inflammatory drugs suggests good efficacy and safety profiles similar to that observed previously in ankylosing spondylitis. This article reviews recent data on the efficacy and safety of etanercept and is focused on the treatment of non-radiographic axial spondyloarthritis. This article will also discuss the role of etanercept in the context of current and developing treatment options.

  17. 烟酰胺对压力致兔腰椎间盘退变的保护作用%The Protective Effect of Nicotinamide on Controllable Axial Loading-induced Rabbit IVD Degeneration Model of Rabbits

    Institute of Scientific and Technical Information of China (English)

    徐蔚蔚; 邵增务; 裴洪; 周建国; 黄吉军; 俞旭东; 熊蠡茗

    2009-01-01

    Objective To investigate the protective effects of nicotinamide against axial loading-induced rabbit intervertebral disc (IVD) degeneration. Methods Twenty-four Japanese white rabbits were randomly divided into 6 groups. Rabbit lumbar disc degeneration model was established by the controllable axial pressure of 98 N. The rabbits were given nicotinamide orally following the grouping. In group l,two rabbits were equipped with the controllable axial pressure device but not subjected to pressure or nicotinamide; In group 2, two rabbits were administered nicotinamide of 50 mg/(kg·d) for one week by gastric ga-vage; In group 3,five rabbits were loaded with controllable axial pressure of 98 N for one week; In group 4,five rabbits were loaded with controllable axial pressure of 98 N for one week,then restored one week by the removal of the pressure; In group 5.five rabbits were loaded with controllable axial pressure of 98 N for one week,and given nicotinamide of 50 mg/ (kg ? D) for one week prior to the removal of the pressure; In group 6,five rabbits were loaded with controllable axial pressure of 98 N for one week and restored one week, and simultaneously given nicotinamide of 50 mg/(kg·d) for two weeks via gastric ga-vage. The rabbit lumbar MRI and Thompson grades were used to score IVD degeneration; HE staining,type Ⅱ collagen immu-nohistochemistry staining and Safranin O-Fast Green staining were done to assess the histological changes in the IVD matrix; P16INK4A immunohistochemistry staining was used to detect the state of cell senescence. Results ① Immunohistochemistry staining of type Ⅱ collagen demonstrated that the pathological changes of IVDs were alleviated, and contents of collagen were increased by 53. 2% in the nicotinamide-treated groups as compared with group 4(P<0. 01) ;②Safranin O-Fast Green staining intensity of both nucleus pulposus (NP) and annular fibrosus in group 2 was increased as compared with group 1. The staining intensity in NP of

  18. Multicomponent mixtures for cryoprotection and ligand solubilization

    Directory of Open Access Journals (Sweden)

    Lidia Ciccone

    2015-09-01

    Full Text Available Mixed cryoprotectants have been developed for the solubilization of ligands for crystallization of protein–ligand complexes and for crystal soaking. Low affinity lead compounds with poor solubility are problematic for structural studies. Complete ligand solubilization is required for co-crystallization and crystal soaking experiments to obtain interpretable electron density maps for the ligand. Mixed cryo-preserving compounds are needed prior to X-ray data collection to reduce radiation damage at synchrotron sources. Here we present dual-use mixes that act as cryoprotectants and also promote the aqueous solubility of hydrophobic ligands. Unlike glycerol that increases protein solubility and can cause crystal melting the mixed solutions of cryo-preserving compounds that include precipitants and solubilizers, allow for worry-free crystal preservation while simultaneously solubilizing relatively hydrophobic ligands, typical of ligands obtained in high-throughput screening. The effectiveness of these mixture has been confirmed on a human transthyretin crystals both during crystallization and in flash freezing of crystals.

  19. Measurement of axial injection displacement with trim coil current unbalance

    Science.gov (United States)

    Covo, Michel Kireeff

    2014-08-01

    The Dee probe used for measuring internal radial beam intensity shows large losses inside the radius of 20 cm of the 88 in. cyclotron. The current of the top and bottom innermost trim coil 1 is unbalanced to study effects of the axial injection displacement. A beam profile monitor images the ion beam bunches, turn by turn. The experimental bunch center of mass position is compared with calculations of the magnetic mirror effect displacement and shows good agreement.

  20. Controlled-deactivation cannabinergic ligands.

    Science.gov (United States)

    Sharma, Rishi; Nikas, Spyros P; Paronis, Carol A; Wood, Jodianne T; Halikhedkar, Aneetha; Guo, Jason Jianxin; Thakur, Ganesh A; Kulkarni, Shashank; Benchama, Othman; Raghav, Jimit Girish; Gifford, Roger S; Järbe, Torbjörn U C; Bergman, Jack; Makriyannis, Alexandros

    2013-12-27

    We report an approach for obtaining novel cannabinoid analogues with controllable deactivation and improved druggability. Our design involves the incorporation of a metabolically labile ester group at the 2'-position on a series of (-)-Δ(8)-THC analogues. We have sought to introduce benzylic substituents α to the ester group which affect the half-lives of deactivation through enzymatic activity while enhancing the affinities and efficacies of individual ligands for the CB1 and CB2 receptors. The 1'-(S)-methyl, 1'-gem-dimethyl, and 1'-cyclobutyl analogues exhibit remarkably high affinities for both CB receptors. The novel ligands are susceptible to enzymatic hydrolysis by plasma esterases in a controllable manner, while their metabolites are inactive at the CB receptors. In further in vitro and in vivo experiments key analogues were shown to be potent CB1 receptor agonists and to exhibit CB1-mediated hypothermic and analgesic effects.

  1. 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...... describe Nodal as a new immunological antigen found of relevance in melanoma patients. In Paper III we wanted to investigate if the hypomethylating drug 5-azactytidine (Vidaza, Celgene Inc.) modulates the immune system in patients with myeloproliferative diseases. It has previ-ously been shown that 5...

  2. Synthesis, Spectroscopy and Crystal Structure of a New Copper Complex Builtup by Cationic (Dimethylphosphorylmethanaminium Ligands

    Directory of Open Access Journals (Sweden)

    Manuela E. Richert

    2014-05-01

    Full Text Available A new transition metal complex of the mono-protonated ligand (dimethylphosphorylmethanamine (dpmaH+ was obtained by equimolar reaction of copper(II chloride dihydrate and dpma in concentrated hydrochloric acid. The asymmetric unit of the title structure, [CuCl2(C3H11NOP4][CuCl4]2, consists of one half of a fourfold charged trans-dichloridotetrakis[(dimethylphosphorylmethanaminium]copper(II complex with the copper atom located on an inversion centre and one tetrachloridocuprate(II dianion found in a general position. The copper centre in the cationic complex shows a tetragonally distorted octahedral environment composed of four oxygen atoms in a square plane and two trans-coordinated chlorido ligands. This 4+2-coordination causes elongated Cu-Cl distances because of the Jahn-Teller effect. The geometry of the tetrachloridocuprate(II dianion is best described as a seriously distorted tetrahedron. Analysis of the hydrogen bonding scheme by graph-set theory shows three patterns of rings in the title compound. The cationic copper complex reveals intramolecular hydrogen bonds between two aminium groups and the two axial chlorido ligands. Further hydrogen bonding among the cations and anions, more precisely between four aminium groups and the chlorido ligands of four adjacent tetrachloridocuprate(II anions, lead to a chain-type structure. Comparing the coordination chemistry of the title structure with an analogue cobalt(II compound only disclose differences in hydrogen bonding pattern resulting in an unusual chain propagation. Besides the crystal structure received spectroscopic data are in accordance with appropriate literature.

  3. Tumor targeting via integrin ligands

    Directory of Open Access Journals (Sweden)

    Udaya Kiran eMarelli

    2013-08-01

    Full Text Available Selective and targeted delivery of drugs to tumors is a major challenge for an effective cancer therapy and also to overcome the side effects associated with current treatments. Overexpression of various receptors on tumor cells is a characteristic structural and biochemical aspect of tumors and distinguishes them from physiologically normal cells. This abnormal feature is therefore suitable for selectively directing anticancer molecules to tumors by using ligands that can preferentially recognize such receptors. Several subtypes of integrin receptors that are crucial for cell adhesion, cell signaling, cell viability and motility have been shown to have an upregulated expression on cancer cells. Thus, ligands that recognize specific integrin subtypes represent excellent candidates to be conjugated to drugs or drug carrier systems and be targeted to tumors. In this regard, integrins recognizing the RGD cell adhesive sequence have been extensively targeted for tumor specific drug delivery. Here we review key recent examples on the presentation of RGD-based integrin ligands by means of distinct drug delivery systems, and discuss the prospects of such therapies to specifically target tumor cells.

  4. New treatment targets for axial spondyloarthritis.

    Science.gov (United States)

    Sieper, Joachim

    2016-12-01

    Axial spondyloarthritis (axSpA) patients can be divided into those with structural damage in the SI joint visible on X-rays, termed radiographic axSpA or AS, and those in an earlier phase of the disease, without structural damage in the SI joint, termed non-radiographic axSpA. TNF-blockers have been shown to be highly effective in the treatment of active axSpA. Interestingly, conventional DMARDs and also non-TNF-blocker biologics targeting IL-1, IL-6 and T cells (abatacept) are not effective. Recent interest has focused on the cytokines IL-23 and IL-17 as potential treatment targets in axSpA. An open-label trial with ustekinumab showed a good efficacy in AS patients. Two placebo-controlled phase 3 trials with a mAb blocking IL-17, secukinumab, showed a good reduction in disease activity, similar to that shown for TNF blockers. Probably triggered by inflammation, new bone formation is another hallmark in AS and a potentially important treatment target. However, a previously reported inhibitory effect of NSAID treatment could not be confirmed in a recent NSAID trial.

  5. Axial compression physical testing of traditional and bird beak SHS T-joints

    Institute of Scientific and Technical Information of China (English)

    陈誉; 王江

    2015-01-01

    The static tests of nine traditional and bird beak square hollow structure (SHS) T-joints with differentβ values and connection types under axial compression at brace end were carried out. Experimental test schemes, failure modes of specimens, jack load−vertical displacement curves, jack load−deformation of chord and strain intensity distribution curves of joints were presented. The effects ofβ and connection types on axial compression property of joints were studied. The results show that the ultimate axial compression capacity of common bird beak SHS T-joints and diamond bird beak SHS T-joints is larger than that of traditional SHS T-joint specimens with big values ofβ. The ultimate axial compression capacity of diamond bird beak SHS T-joints is larger than that of common bird beak SHS T-joints. Asβ increases, the increase of the ultimate axial compression capacity of diamond bird beak SHS T-joints over that of common bird beak joints grows. The ultimate axial compression capacity and the initial axial stiffness of all kinds of joints increase asβincreases, and the initial axial stiffness of the diamond bird beak SHS T-joints is the largest. The ductilities of common bird beak and diamond bird beak SHS T-joints increase asβ increases, but the ductility of the traditional SHS T-joints decreases asβ increases.

  6. The Effects of Net-Shape Machining on the Performance of Al 2024-T3 Subjected to Axial Tension-Tension Fatigue Loads

    Science.gov (United States)

    2010-08-01

    Tang, C. C. The Effect of Different Profiling Techniques on the Fatigue Performance of Metallic Membranes of AISI 301 and Inconel 718...for homogeneous materials (Arola and Williams, 2002). Using AISI 4130 CR steel Arola and Williams, 2002 were able to show that during cyclic

  7. An Assessment of Cumulative Axial and Torsional Fatigue in a Cobalt-Base Superalloy

    Science.gov (United States)

    Kalluri, Sreeramesh; Bonacuse, Peter J.

    2010-01-01

    Cumulative fatigue under axial and torsional loading conditions can include both load-order (higMow and low/high) as well as load-type sequence (axial/torsional and torsional/axial) effects. Previously reported experimental studies on a cobalt-base superalloy, Haynes 188 at 538 C, addressed these effects. These studies characterized the cumulative axial and torsional fatigue behavior under high amplitude followed by low amplitude (Kalluri, S. and Bonacuse, P. J., "Cumulative Axial and Torsional Fatigue: An Investigation of Load-Type Sequance Effects," in Multiaxial Fatigue and Deformation: Testing and Prediction, ASTM STP 1387, S. Kalluri, and P. J. Bonacuse, Eds., American Society for Testing and Materials, West Conshohocken, PA, 2000, pp. 281-301) and low amplitude followed by high amplitude (Bonacuse, P. and Kalluri, S. "Sequenced Axial and Torsional Cumulative Fatigue: Low Amplitude Followed by High Amplitude Loading," Biaxial/Multiaxial Fatigue and Fracture, ESIS Publication 31, A. Carpinteri, M. De Freitas, and A. Spagnoli, Eds., Elsevier, New York, 2003, pp. 165-182) conditions. In both studies, experiments with the following four load-type sequences were performed: (a) axial/axial, (b) torsional/torsional, (c) axial/torsional, and (d) torsional/axial. In this paper, the cumulative axial and torsional fatigue data generated in the two previous studies are combined to generate a comprehensive cumulative fatigue database on both the load-order and load-type sequence effects. This comprehensive database is used to examine applicability of the Palmgren-langer-Miner linear damage rule and a nonlinear damage curve approach for Haynes 188 subjected to the load-order and load-type sequencing described above. Summations of life fractions from the experiments are compared to the predictions from both the linear and nonlinear cumulative fatigue damage approaches. The significance of load-order versus load-type sequence effects for axial and torsional loading conditions

  8. Investigation of Valve Plate in Water Hydraulic Axial Piston Motor

    Institute of Scientific and Technical Information of China (English)

    聂松林; 李壮云; 等

    2002-01-01

    This paper has introduced the developments of water hydraulic axial piston equipments.According to the effects of physicochemical properties of water on water hydraulic components,a novel valve plate for water hydraulic axial motor has been put forward,whose moment exerted by the fluid field between valve plate and bearing plate is balanced entirely.The material screening experiment of valve plate is done on the test rig.Through numerical simulation the effects of some geometry parameters on the performance of water hydraulic motor have been studied.The silencing grooves on the valve plate in water hydraulic motor can reduce the pressure shock and the occurrence of cavitation effectively.It is evident that the appropriate structure should change the wear status between matching paris and reduces the wear and specific pressure of the matching pairs.The specimen with the new type valve plate is used in a tool system.

  9. Axial Super-resolution Evanescent Wave Tomography

    CERN Document Server

    Pendharker, Sarang; Newman, Ward; Ogg, Stephen; Nazemifard, Neda; Jacob, Zubin

    2016-01-01

    Optical tomographic reconstruction of a 3D nanoscale specimen is hindered by the axial diffraction limit, which is 2-3 times worse than the focal plane resolution. We propose and experimentally demonstrate an axial super-resolution evanescent wave tomography (AxSET) method that enables the use of regular evanescent wave microscopes like Total Internal Reflection Fluorescence Microscope (TIRF) beyond surface imaging, and achieve tomographic reconstruction with axial super-resolution. Our proposed method based on Fourier reconstruction achieves axial super-resolution by extracting information from multiple sets of three-dimensional fluorescence images when the sample is illuminated by an evanescent wave. We propose a procedure to extract super-resolution features from the incremental penetration of an evanescent wave and support our theory by 1D (along the optical axis) and 3D simulations. We validate our claims by experimentally demonstrating tomographic reconstruction of microtubules in HeLa cells with an axi...

  10. Axial thermal rotation of slender rods.

    Science.gov (United States)

    Li, Dichuan; Fakhri, Nikta; Pasquali, Matteo; Biswal, Sibani Lisa

    2011-05-06

    Axial rotational diffusion of rodlike polymers is important in processes such as microtubule filament sliding and flagella beating. By imaging the motion of small kinks along the backbone of chains of DNA-linked colloids, we produce a direct and systematic measurement of axial rotational diffusivity of rods both in bulk solution and near a wall. The measured diffusivities decrease linearly with the chain length, irrespective of the distance from a wall, in agreement with slender-body hydrodynamics theory. Moreover, the presence of small kinks does not affect the chain's axial diffusivity. Our system and measurements provide insights into fundamental axial diffusion processes of slender objects, which encompass a wide range of entities including biological filaments and linear polymer chains.

  11. How to diagnose axial spondyloarthritis early

    OpenAIRE

    Rudwaleit, M.; van der Heijde, D.; Khan, M.; Braun, J.; Sieper, J.

    2004-01-01

    Background: Chronic low back pain (LBP), the leading symptom of ankylosing spondylitis (AS) and undifferentiated axial spondyloarthritis (SpA), precedes the development of radiographic sacroiliitis, sometimes by many years.

  12. Axial force measurement for esophageal function testing

    DEFF Research Database (Denmark)

    Gravesen, Flemming Holbæk; Funch-Jensen, Peter; Gregersen, Hans

    2009-01-01

    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...... 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...... 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...

  13. Cascaded fiber-optic Fabry-Perot interferometers with Vernier effect for highly sensitive measurement of axial strain and magnetic field.

    Science.gov (United States)

    Zhang, Peng; Tang, Ming; Gao, Feng; Zhu, Benpeng; Fu, Songnian; Ouyang, Jun; Shum, Perry Ping; Liu, Deming

    2014-08-11

    We report a highly sensitive fiber-optic sensor based on two cascaded intrinsic fiber Fabry-Perot interferometers (IFFPIs). The cascaded IFFPIs have different free spectral ranges (FSRs) and are formed by a short section of hollow core photonic crystal fiber sandwiched by two single mode fibers. With the superposition of reflective spectrum with different FSRs, the Vernier effect will be generated in the proposed sensor and we found that the strain sensitivity of the proposed sensor can be improved from 1.6 pm/με for a single IFFPI sensor to 47.14 pm/με by employing the Vernier effect. The sensor embed with a metglas ribbon can be also used to measure the magnetic field according to the similar principle. The sensitivity of the magnetic field measurement is achieved to be 71.57 pm/Oe that is significantly larger than the 2.5 pm/Oe for a single IFFPI sensor.

  14. 压水堆燃料棒在轴向流作用下的随机振动响应研究%Random Response Analysis of PWR Fuel Rod Effect on Axial Flow

    Institute of Scientific and Technical Information of China (English)

    黄恒; 刘彤; 周跃民

    2015-01-01

    Based on random vibration theory ,the random response analysis method of PWR fuel rods under axial flow was established .The fluid force along the axial of rod was treated as a fluctuant random load ,and the mode shape method and power spectrum analysis method were used to derive the empirical formula of RMS response .This article provides a theoretical analysis method w hich does not rely on the flow induced vibration test of fuel assembly .The effects for the RMS response of fuel rods by the equivalent velocity ,turbulence intensity ,and correlation length factor were discussed .The method can meet the requirements of engineering analysis . The results show that the RMS response of fuel rods will increase with the equivalent velocity ,turbulence intensity and the correlation length factor .The response is more sensitive to the equivalent velocity and coefficient length factor changes ,and linearly with the turbulence intensity .In the operating condition of the pressurized water reactor (PWR) ,the RMS amplitude of fuel rods is about micrometers .%基于随机振动理论,建立了在轴向流作用下压水堆燃料棒随机响应的纯理论分析方法。将流体力考虑为沿燃料棒轴向位置的脉冲随机荷载,结合模态分析技术,从功率谱分析法推导出燃料棒振动均方根响应的表达式。提供了一套不依赖燃料组件流致振动实验的纯理论分析方法,重点分析了等效流速、湍流强度、相关长度系数等几个主要流场参数对结构均方根响应的影响。结果表明,本文计算模型的精度满足工程分析要求,燃料棒响应随等效流速、湍流强度和相关长度系数的增大而增大;其中响应对于等效流速和相关长度系数的变化较为敏感,而与湍流强度呈线性变化关系;在压水堆运行中的燃料棒均方根幅值约处在μm量级。

  15. Iron(III) complexes of tripodal tetradentate 4N ligands as functional models for catechol dioxygenases: the electronic vs. steric effect on extradiol cleavage.

    Science.gov (United States)

    Balamurugan, Mani; Vadivelu, Prabha; Palaniandavar, Mallayan

    2014-10-21

    A few mononuclear iron(iii) complexes of the type [Fe(L)Cl2]Cl , where L is a tetradentate tripodal 4N ligand such as N,N-dimethyl-N',N'-bis(pyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-diethyl-N',N'-bis(pyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N',N'-bis-(6-methylpyrid-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N'-(pyrid-2-ylmethyl)-N'-(1-methyl-1H-imidazol-2-ylmethyl)ethane-1,2-diamine (), N,N-dimethyl-N',N'-bis(1-methyl-1H-imidazol-2-ylmethyl)ethane-1,2-diamine () and N,N-dimethyl-N',N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine (), have been isolated and characterized by CHN analysis, UV-Visible spectroscopy and electrochemical methods. The complex cation [Fe(H)Cl3](+) possesses a distorted octahedral geometry in which iron is coordinated by the monoprotonated 4N ligand in a tridentate fashion and the remaining three sites of the octahedron are occupied by chloride ions. The DFT optimized octahedral geometries of , and contain iron(iii) with a high-spin (S = 5/2) ground state. The catecholate adducts [Fe(L)(DBC)](+), where H2DBC is 3,5-di-tert-butylcatechol, of all the complexes have been generated in situ in acetonitrile solution and their spectral and redox properties and dioxygenase activities have been studied. The DFT optimized geometries of the catecholate adducts [Fe()(DBC)](+), [Fe()(DBC)](+) and [Fe()(DBC)](+) have also been generated to illustrate the ability of the complexes to cleave H2DBC in the presence of molecular oxygen to afford varying amounts of intra- (I) and extradiol (E) cleavage products. The extradiol to intradiol product selectivity (E/I, 0.1-2.0) depends upon the asymmetry in bidentate coordination of catecholate, as determined by the stereoelectronic properties of the ligand donor functionalities. While the higher E/I value obtained for [Fe()(DBC)](+) is on account of the steric hindrance of the quinolyl moiety to coordination the lower value observed for [Fe()(DBC)](+) and [Fe()(DBC)](+) is on account of the electron

  16. The effect of group-substitution on structures and photophysical properties of rhenium(I) tricarbonyl complexes with pyridyltetrazole ligand: A DFT/TDDFT study

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Xiao-Zhu; Wang, Ya-Ling; Guo, Jing-Ye; Zhang, Ting-Ting, E-mail: zhangtt816@163.com; Jia, Jian-Feng; Wu, Hai-Shun

    2016-08-01

    A series of rhenium(I) tricarbonyl complexes having a general formula fac-[Re (CO){sub 3}(L)(R-N{sup ^}N)] (L = Br; N{sup ∧}N = tert-butylated pyridyltetrazole; R = −H, 1; −NO{sub 2}, 2; −CN, 3; −OCH{sub 3}, 4; −CH{sub 3}, 5) have been investigated theoretically by density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods. The calculated results reveal that introductions of different groups on R position of N{sup ^}N ligand can induce changes on electronic structures, photophysical properties and emission quantum yield for these complexes. When the electron-withdrawing groups (−NO{sub 2} and −CN) are introduced in complex 2 and 3, the lowest energy absorption and emission bands are red-shifted compared with that of 1. On the contrary, the introduction of electron-donating group (−OCH{sub 3} and −CH{sub 3}) in complex 4 and 5 cause corresponding blue-shifted. For these complexes, the stronger electron-donating ability of introduced group on N{sup ^}N ligand is, the larger blue-shifted of the lowest energy absorption and emission bands is. The solvent effect on absorption and emission spectrum indicates that the lowest-energy absorption and emission bands have both red shifts with the decrease of solvent polarity. The electronic affinity (EA), ionization potential (IP) and reorganization energy (λ) results show that complex 4 may be suitable to be used as an emitter in organic light-emitting diodes OLEDs. Meanwhile the emission quantum yield of complex 4 is possibly higher than other complexes. - Highlights: • Re(I) tricarbonyl complexes with pyridyltetrazole ligand have been studied by DFT. • The introductions of groups can change structures and properties for these complexes. • The lowest-energy bands have red-shift with the decrease of solvent polarity. • The introduction of −OCH{sub 3} may increase emission quantum yield of OLEDs.

  17. Numerical simulation of axial flow compressors.

    OpenAIRE

    Jesuino Takachi Tomita

    2002-01-01

    This work deals with the numerical simulation of axial flow compressors, from design to performance prediction. The stage performance prediction uses the meanline flow properties. Stage-stacking is used to analyse a multi-stage compressor. A computer program, written in FORTRAN, was developed and is able to design an axial flow compressor given air mass flow, total pressure ratio, overall efficiency and design speed. All geometrical data relevant to the compressor performance prediction is ca...

  18. 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.

  19. Molecular and electronic structure of chromium(V) nitrido complexes with azide and isothiocyanate ligands

    DEFF Research Database (Denmark)

    Bendix, Jesper; Birk, Torben; Weyhermüller, Thomas

    2005-01-01

    .223 A between the axial and equatorial ligators from the phenanthroline ligand. The absorption band with lowest energy in these pseudo-linear complexes is assigned as the electric dipole forbidden transition d(xy) --> d(x-y) based on intensities and its variation with the nature of the equatorial ligators...

  20. Tripodal phenylamine-based ligands and their CoII complexes.

    Science.gov (United States)

    Jones, Matthew B; MacBeth, Cora E

    2007-10-01

    The syntheses of two phenylamine-based ligand systems, N(o-PhNH(2))(3) and N(o-PhNHC(O)(i)Pr)(3), are reported. These ligands readily coordinate to Co(II) to form monomeric complexes. X-ray diffraction studies establish that the [N(o-PhNC(O)(i)Pr)(3)](3-) ligand stabilizes the Co(II) ion in a trigonal-monopyramidal coordination environment. The axial coordination site in this complex is accessible and, upon cyanide coordination, generates an electrochemically active species.

  1. 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.

  2. An Unbroken Axial Vector Current Conservation Law

    CERN Document Server

    Sharafiddinov, Rasulkhozha S

    2015-01-01

    The mass, energy and momentum of the neutrino of a true flavor have an axial-vector nature. As a consequence, the left-handed truly neutral neutrino in an axial-vector field of emission can be converted into a right-handed one and vice versa. This predicts the unidenticality of masses, energies and momenta of neutrinos of the different components. Recognizing such a difference in masses, energies, momenta and accepting that the left-handed axial-vector neutrino and the right-handed antineutrino of true neutrality refer to long-lived C-odd leptons, and the right-handed truly neutral neutrino and the left-handed axial-vector antineutrino are of short-lived fermions of C-oddity, we would write a new CP-even Dirac equation taking into account the flavor symmetrical axial-vector mass, energy and momentum matrices. Their presence explains the spontaneous mirror symmetry violation, confirming that an axial-vector current conservation law has never violated. They reflect the availability of a mirror Minkowski space i...

  3. 正应力在波音737CL飞机龙骨梁剥蚀中的作用%Effect of Axial Stress on Exfoliation Corrosion of Keel Beam for Aircraft B737CL

    Institute of Scientific and Technical Information of China (English)

    黄昌龙; 万小朋

    2011-01-01

    根据波音737CL飞机龙骨梁ADF环形天线组件固定孔区域的剥蚀特征,采用有限元分析和盐雾环境暴露试验研究了正应力在剥蚀中的作用.结果表明,纵向L方向及长横向LT方向压应力可加速7150铝合金的剥蚀的形成和扩展;L方向、LT方向拉应力以及短横向ST方向压应力抑制合金的剥蚀的形成和扩展.%Based on an investigation of the exfoliation corrosion(EFC) evolution around ADF antenna installing holes on aluminum alloy 7150-T77511 keel beam for aircraft B737CL,the effect of axial stress on the EFC was studied by means of finite element analysis and corrosion test in salt fogging environment.The results showed that compressive stress along directions L and LT accelerated EFC,whilst tensile stress along directions L and LT,and compressive stress along direction ST retarded EFC.

  4. Nitinol stent design - understanding axial buckling.

    Science.gov (United States)

    McGrath, D J; O'Brien, B; Bruzzi, M; McHugh, P E

    2014-12-01

    Nitinol׳s superelastic properties permit self-expanding stents to be crimped without plastic deformation, but its nonlinear properties can contribute towards stent buckling. This study investigates the axial buckling of a prototype tracheobronchial nitinol stent design during crimping, with the objective of eliminating buckling from the design. To capture the stent buckling mechanism a computational model of a radial force test is simulated, where small geometric defects are introduced to remove symmetry and allow buckling to occur. With the buckling mechanism ascertained, a sensitivity study is carried out to examine the effect that the transitional plateau region of the nitinol loading curve has on stent stability. Results of this analysis are then used to redesign the stent and remove buckling. It is found that the transitional plateau region can have a significant effect on the stability of a stent during crimping, and by reducing the amount of transitional material within the stent hinges during loading the stability of a nitinol stent can be increased.

  5. Acyl-CoA esters antagonize the effects of ligands on peroxisome proliferator-activated receptor alpha conformation, DNA binding, and interaction with Co-factors

    DEFF Research Database (Denmark)

    Elholm, M; Dam, I; Jorgensen, C;

    2001-01-01

    The peroxisome proliferator-activated receptor alpha (PPARalpha) is a ligand-activated transcription factor and a key regulator of lipid homeostasis. Numerous fatty acids and eicosanoids serve as ligands and activators for PPARalpha. Here we demonstrate that S-hexadecyl-CoA, a nonhydrolyzable...

  6. Axial Liquid Dispersion in Gas-Liquid-Solid Circulating Fluidized Bed

    Institute of Scientific and Technical Information of China (English)

    M.Vatanakul; 孙国刚; 郑莹; M.Couturier

    2005-01-01

    The effects of liquid viscosities, solid circulating rates, liquid and gas velocities and phase holdups on the axial dispersion coefficient, Dax, were investigated in a gas-liquid-solid circulating fluidized bed (GLSCFB).Liquid viscosity promotes the axial liquid backmixing when solid particles and gas bubbles are present. Increases in gas velocities and solid circulating rates lead to higher Dax. The effects of liquid velocity on Dax are associated with liquid viscosity. Compared with conventional expanded beds, the GLSCFBs hold less axial liquid dispersion,approaching ideal plug-flow reactors.

  7. Plasticity around an Axial Surface Crack in a Cylindrical Shell

    DEFF Research Database (Denmark)

    Krenk, Steen

    1979-01-01

    and Ratwani,3–5 it generalises Dugdale's assumption of a concentrated yield zone in the plane of the crack but, contrary to that model, transverse shear effects are included and a continuous stress distribution is assumed in the yield zone. The inherent difficulties arising from the use of shell theory...... field in an axially cracked cylindrical shell arising from use of classical eighth order shallow shell theory is removed when use is made of a tenth order shell theory which accounts for transverse shear deformations. Although the membrane stresses are only moderately affected, the influence...... on the bending stresses is considerable. In the case of surface cracks moments are induced due to the eccentricity of the crack and transverse shear effects should therefore be included. A plasticity model for a rectangular axial surface crack is developed. Like a previous surface crack model by Erdogen...

  8. Axial design of nuclear fuel using path relinking; Diseno axial de combustible nuclear utilizando path relinking

    Energy Technology Data Exchange (ETDEWEB)

    Castillo, A.; Torres, M.; Ortiz, J. J.; Perusquia, R.; Hernandez, J. L.; Montes, J. L. [ININ, 52750 La Marquesa, Estado de Mexico (Mexico)]. e-mail: jacm@nuclear.inin.mx

    2008-07-01

    In the present work the preliminary results were obtained with the zoctli system whose purpose is the axial design of assembly of nuclear fuel under certain considerations. For the mentioned design well-know cells were already used and that they have been proven in diverse cycles of operation in the nuclear power plant of Laguna Verde. The design contemplates fuels assemblies of 10x10 and with 2 water channels. The assembly was distributed in 6 axial zones according to its structure. In order to take to end the optimization is was used the well-known technique like Path relinking and to find the group of previous solutions required by this technique uses the technical Taboo search. In order to work with Path relinking, 5 trajectories was taken in to account from a set of 5 previous solutions generated with theTaboo search, the update of the group of solutions is carried out in dynamic form. In the case of the Taboo search it was used a list of variable size, it was implement an aspiration approach, it was used the vector of frequencies and due to the cost of the evaluation of the objective function, only it was review 5% of the vicinity. For the objective function was considered the limit thermal, the axial profile of power, the effective multiplication factor and the margin of having turned off in cold. In order to prove the design system, it was used a balance cycle with a value of reference of 0.9928 for the effective multiplication factor that is equivalent to a produced energy of 10896 MWd/TU at the end of operation to full power. The designed assemblies were placed both in one of lots different from fresh assemblies on which it counts the referred cycle. At the end one a comparison with the results obtained with other techniques and under similar conditions is made. The results obtained until the moment show an appropriate performance of the system. It is possible to indicate that a small inconvenient is the amount of consumed resources of calculation during

  9. Ligand and Metal Effects on the Stability and Adsorption Properties of an Isoreticular Series of MOFs Based on T-Shaped Ligands and Paddle-Wheel Secondary Building Units.

    Science.gov (United States)

    Xiong, Ying; Fan, Yan-Zhong; Damasceno Borges, Daiane; Chen, Cheng-Xia; Wei, Zhang-Wen; Wang, Hai-Ping; Pan, Mei; Jiang, Ji-Jun; Maurin, Guillaume; Su, Cheng-Yong

    2016-11-02

    The synthesis of stable porous materials with appropriate pore size and shape for desired applications remains challenging. In this work a combined experimental/computational approach has been undertaken to tune the stability under various conditions and the adsorption behavior of a series of MOFs by subtle control of both the nature of the metal center (Co(2+) , Cu(2+) , and Zn(2+) ) and the pore surface by the functionalization of the organic linkers with amido and N-oxide groups. In this context, six isoreticular MOFs based on T-shaped ligands and paddle-wheel units with ScD0.33 topology have been synthesized. Their stabilities have been systematically investigated along with their ability to adsorb a wide range of gases (N2 , CO2 , CH4 , CO, H2, light hydrocarbons (C1 -C4 )) and vapors (alcohols and water). This study has revealed that the MOF frameworks based on Cu(2+) are more stable than their Co(2+) and Zn(2+) analogues, and that the N-oxide ligand endows the MOFs with a higher affinity for CO2 leading to excellent selectivity for this gas over other species.

  10. A Nonlocal Model for Carbon Nanotubes under Axial Loads

    Directory of Open Access Journals (Sweden)

    Raffaele Barretta

    2013-01-01

    Full Text Available Various beam theories are formulated in literature using the nonlocal differential constitutive relation proposed by Eringen. A new variational framework is derived in the present paper by following a consistent thermodynamic approach based on a nonlocal constitutive law of gradient-type. Contrary to the results obtained by Eringen, the new model exhibits the nonlocality effect also for constant axial load distributions. The treatment can be adopted to get new benchmarks for numerical analyses.

  11. Effects of non-uniform suction flow on performance and pressure fluctuation in axial-flow pumps%入口非均匀流对轴流泵性能和压力脉动的影响

    Institute of Scientific and Technical Information of China (English)

    施卫东; 张光建; 张德胜; 吴苏青; 徐焰栋

    2014-01-01

    为研究入流条件对轴流泵的影响,建立了2种不同类型的非均匀速度入口分布,分别与均匀入流进行比较,得到非均匀入口边界条件对轴流泵影响的数值计算结果.将均匀入流下的数值模拟结果与试验值进行对比,验证了数值模型的可信性.在0.7Q~1.2Q工况范围内,对轴流泵的扬程、效率和径向力等曲线进行了对比分析,得出受入口速度非均匀性影响、轴流泵性能和径向载荷的变化结果.最后,在定常模拟的基础上,对设计工况下叶轮入口、叶轮出口和导叶出口处的压力脉动进行了监测,得到了2种非均匀入流条件对轴流泵3个典型位置处压力脉动的影响情况.结果表明,通过控制进口入流情况,可以使文中所研究的轴流泵的水动力性能好于轴向均匀入流时的水动力性能.%To study the effect of inflow conditions on an axial flow pump,two different types of non-u-niform inlet velocity distributions were established.By comparing with uniform inflow conditions,the effects of the non-uniform inflow conditions on pump performance,radial forces and pressure fluctua-tions were achieved by numerical simulations.Comparison of numerical simulation results and experi-mental values under uniform inflow verifies the accuracy of the numerical model.A comparative analy-sis of the effects on pump head,efficiency and radial force curves was performed under 0.7Q-1.2Q conditions.The variation of the axial flow pump performance and radial loads with the non-uniformity of the inlet velocity was obtained.Finally,based on the unsteady simulation,pressure fluctuations at impeller inlet,impeller outlet and guide vane exit at design condition were monitored,and the effects of two non-uniform inflows on pressure pulsations at three typical positions were achieved.The results show that by controlling the inflow situation,the hydrodynamic performance with non-uniform inflow is better

  12. Effect of Common Buffers and Heterocyclic Ligands on the Binding of Cu(II at the Multimetal Binding Site in Human Serum Albumin

    Directory of Open Access Journals (Sweden)

    Magdalena Sokołowska

    2010-01-01

    Full Text Available Visible-range circular dichroism titrations were used to study Cu(II binding properties of Multimetal Binding Site (MBS of Human Serum Albumin (HSA. The formation of ternary MBS-Cu(II-Buffer complexes at pH 7.4 was positively verified for sodium phosphate, Tris, and Hepes, the three most common biochemical buffers. The phosphate > Hepes > Tris order of affinities, together with strong spectral changes induced specifically by Tris, indicates the presence of both Buffer-Cu(II and Buffer-HSA interactions. All complexes are strong enough to yield a nearly 100% ternary complex formation in 0.5 mM HSA dissolved in 100 mM solutions of respective buffers. The effects of warfarin and ibuprofen, specific ligands of hydrophobic pockets I and II in HSA on the Cu(II binding to MBS were also investigated. The effects of ibuprofen were negligible, but warfarin diminished the MBS affinity for Cu(II by a factor of 20, as a result of indirect conformational effects. These results indicate that metal binding properties of MBS can be modulated directly and indirectly by small molecules.

  13. Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.

    Science.gov (United States)

    Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko

    2016-03-09

    Self-assembled molecular machines have great potential to enable noncovalent regulation of a coupled motion of the building blocks. Herein we report the synthesis and the rotational control of a lantern-type dirhodium complex with circularly arranged four 2,3,6,7,14,15-hexamethyltriptycene carboxylates as gears and two axial ligands as the rate control elements. The rotating rates in solution were markedly affected by the coordination ability and the bulkiness of axial ligands. Notably, the rate changes were closely correlated with the changes in the electronic states of the dirhodium center. Such ligand exchange-based control of rotational motions with color changes would advance stimulus-responsive metallo-molecular multirotors.

  14. 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.

  15. Effect of circumferential forward-skewed blade on aeroacoustic performance of axial fan%周向前弯叶片对轴流风扇气动声学性能影响

    Institute of Scientific and Technical Information of China (English)

    李杨

    2009-01-01

    通过试验获得低压轴流风扇前弯叶片声压级曲线和设计点1/3倍频程频谱,研究了叶片前弯角对风扇气动噪声的影响.通过数值方法,获得叶轮出口尾迹宽度的分布,分析了叶片前弯角对其影响.结果显示,随着叶片前弯角度的增加,风扇出口尾迹宽度呈现"先减小后增加"的变化特点,导致气动噪声也出现相同的变化规律,其中最低气动噪声出现在前弯6°~8°.气动噪声差异主要发生在300~4 000Hz.%Low pressure axial fan with forward-skewed rotor blade was studied. The re-lationship between sound pressure level and flow rate and 1/3 octave spectrum at design con-dition was obtained through aerodynamic noise experiment. The effects of blade forward skew angle on aerodynamic noise were analyzed. The distributions of wake width at outlet of rotors were obtained from simulation. The effects of blade forward skew angle on wake width were also analyzed. The results show that, with the increase of blade forward skew angle, the wake width declines and then increases, leading to similar relationship curves be-tween aerodynamic noise measurement data and flow rate. The lowest aerodynamic noise oc-curs at forward skew angle between 6° and 8°. The difference of aerodynamic noise among the rotors occurs mainly at frequency zone between 300 Hz and 4 000 Hz.

  16. Comparative effects of the long-acting GLP-1 receptor ligands, liraglutide and exendin-4, on food intake and body weight suppression in rats.

    Science.gov (United States)

    Hayes, Matthew R; Kanoski, Scott E; Alhadeff, Amber L; Grill, Harvey J

    2011-07-01

    The glucagon-like-peptide-1 receptor (GLP-1R) agonists, liraglutide (Victoza) and the synthetic product of exendin-4 (Byetta), are approved for type II diabetes mellitus (T2DM) treatment and may be efficacious in obesity treatment as well, in part, due to the drugs' resistance to enzymatic degradation and prolonged half-life relative to endogenous GLP-1. To address the need to directly compare the food intake- and body weight-suppressive effects of these two GLP-1R ligands, acute and chronic dosing experiments were performed. Once-daily (q.d.) exendin-4 (0, 0.33, 1.5, and 3.0 µg/kg) and liraglutide (0, 50, 100, and 300 µg/kg, q.d.) both reduced the chow intake in nonobese rats in a dose-dependent fashion following either intraperitoneal (IP) or subcutaneous (SC) administration, whereas only liraglutide reduced 24 and 48 h body weight in nonobese, chow-maintained rats. Chow intake and body weight suppression by liraglutide were of greater magnitude and shorter latency following IP compared to SC delivery, whereas for exendin-4, the magnitude of intake-suppression was similar for IP and SC administration. The effects of chronic delivery (7 consecutive days; IP) of liraglutide (25 and 50 µg/kg; q.d.) and exendin-4 (3 µg/kg; q.d. and twice-daily (b.i.d.)) on food intake and body weight were also examined in diet-induced obese (DIO) rats. Liraglutide (50 µg/kg q.d.) and exendin-4 (3 µg/kg b.i.d.) were comparable in suppressing overall high fat/sucrose diet (HFS; 60% kcal from fat) intake. Both drugs regimens yielded marked weight loss over the 7-day period. The weight loss effect of liraglutide was achieved in the first 2 days and remained stable for the duration of the experiment; weight loss with exendin-4 appeared more linear over the 7-day period. In conclusion, administration of the GLP-1R ligands, exendin-4 (b.i.d.) and liraglutide (q.d.), lead to comparable and pronounced suppression of food intake and body weight in DIO rats, suggesting a potential role

  17. Effect of c-mpl ligands after total body irradiation (TBI) with and without allogeneic hematopoietic stem cell transplantation: low-dose TBI does not prevent sensitization.

    Science.gov (United States)

    Nash, Richard A; Takatu, Alessandra; Feng, Ziding; Slichter, Sherrill; Abrams, Kraig; Espino, German; Gass, M John; Georges, George E; McSweeney, Peter A; Shulman, Howard M; Storb, Rainer

    2002-01-01

    This study investigates the potential role of the recombinant c-mpl ligands (recombinant human thrombopoietin [rhTPO] and pegylated recombinant human megakaryocyte growth and development factor [PEG-rhMGDF]) on the recovery of platelet counts after TBI with and without allogeneic hematopoietic stem cell transplantation (HSCT) in an established canine model. Initially, 3 cohorts, each with 2 nonirradiated dogs, received increasing doses of rhTPO (5 microg/kg per day; 10 microg/kg per day; 20 microg/kg per day) for 7 days to determine the optimal dose. The dose of 10 microg/kg per day of rhTPO was selected for subsequent studies. Ten dogs then received either rhTPO or placebo for 28 days after 200 cGy TBI without HSCT. The rhTPO group had fewer days with platelet counts RhTPO-specific antibodies developed in 2 dogs, which caused a significant but transient decrease of the platelet counts. Retreatment of these sensitized dogs with rhTPO resulted in profound transient decreases in platelet counts. In the next study, 20 dogs received either PEG-rhMGDF or placebo for 21 days after 920 cGy TBI and allogeneic HSCT. The median time to platelet recovery (>20,000/microL) for the PEG-rhMGDF group (n = 10) was 14.0 days compared to 15.5 days for the control group (n = 10; log rank, P = .35). There were no significant differences in the total time to platelet counts 500/microL. The effects of rhTPO on recovery of platelet and granulocyte counts after sublethal TBI were modest, and no effects of PEG-rhMGDF were observed on hematopoietic recovery after high-dose TBI and allogeneic HSCT. The significant effect that rhTPO-specific antibodies had on the platelet counts may limit the clinical role of recombinant c-mpl ligands unless sensitization can be prevented.

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

    NARCIS (Netherlands)

    Maren, W.W.C. van; Nierkens, S.; Toonen, L.W.J.; Bolscher, J.M.; Sutmuller, R.P.M.; Adema, G.J.

    2011-01-01

    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

  19. An exact dynamic stiffness matrix for axially loaded double-beam systems

    Indian Academy of Sciences (India)

    Li Xiaobin; Xu Shuangxi; Wu Weiguo; Li Jun

    2014-06-01

    An exact dynamic stiffness method is presented in this paper to determine the natural frequencies and mode shapes of the axially loaded double-beam systems,which consist of two homogeneous and prismatic beams with a distributed spring in parallel between them.The effects of the axial force, shear deformation and rotary inertia are considered, as shown in the theoretical formulation. The dynamic stiffness influence coefficients are formulated from the governing differential equations of the axially loaded double-beam system in free vibration by using the Laplace transform method. An example is given to demonstrate the effectiveness of this method, in which ten boundary conditions are investigated and the effect of the axial force on the natural frequencies and mode shapes of the double-beam system are further discussed.

  20. Effect of ligand structure of stationary phase of high per-formance hydrophobic interaction chromatography on re-naturation efficiency of GuHCl-denatured α-chymotrypsin

    Institute of Scientific and Technical Information of China (English)

    SHEN; Yehua; WANG; Haibo; BAI; Quan; GENG; Xindu

    2005-01-01

    The renaturation of the denatured α-chymotrypsin (α-Chy) with 1.7 mol · L-1 guanidine hydrochloride (GuHCI) by three kinds of stationary phase of high performance hydrophobic interaction chromatography (STHIC) with a comparable hydrophobicity but different ligand structures was investigated. The obtained result indicates that the ligand structures of the three STHIC contribute to the renaturation efficiency of α-Chy in the order of the end ligands PEG-600< phenyl group < tetrahydrofurfuryl alcohol (THFA).