WorldWideScience

Sample records for electric linear dichroism

  1. Linear dichroism in molecular resonant inelastic x-ray scattering

    Energy Technology Data Exchange (ETDEWEB)

    Lindle, D W; Stolte, W C [Department of Chemistry, University of Nevada, Las Vegas, NV 89154-4003 (United States); Guillemint, R; Carniato, S; Journel, L; Taieb, R; Simon, M, E-mail: lindle@unlv.nevada.ed [UPMC, CNRS U Paris 06, UMR 7614, Laboratoire de Chimie Physique Matiere et Rayonnement, F-75005 Paris (France)

    2009-11-01

    Polarization-dependent resonant inelastic x-ray scattering (RIXS) is shown to be a new probe of molecular-field effects on molecular electronic structure. Combining experiment and theory, linear dichroism in Cl 2p RIXS following Cl 1s excitation in HCl, Cl{sub 2}, and CF{sub 3}Cl is ascribed to molecular-field effects, indicating polarized-RIXS provides a direct probe of spin-orbit-state populations generally applicable to all molecules.

  2. Synchrotron radiation linear dichroism (SRLD) investigation of the electronic transitions of quinizarin, chrysazin, and anthrarufin

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Jones, Nykola Clare; Hoffmann, Søren Vrønning

    2010-01-01

    The electronic transitions of the three α,α'-dihydroxy derivatives of anthraquinone, 1,4‑dihydroxy‑, 1,8-dihydroxy-, and 1,5-dihydroxy-9,10-anthraquinone (quinizarin, chrysazin, and anthrarufin), were investigated by synchrotron radiation linear dichroism (SRLD) spectroscopy on samples aligned...

  3. Magnetic x-ray linear dichroism of ultrathin Fe-Ni alloy films

    Energy Technology Data Exchange (ETDEWEB)

    Schumann, F.O.; Willis, R.F. [Pennsylvania State Univ., University Park, PA (United States); Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    The authors have studied the magnetic structure of ultrathin Fe-Ni alloy films as a function of Fe concentration by measuring the linear dichroism of the 3p-core levels in angle-resolved photoemission spectroscopy. The alloy films, grown by molecular-beam epitaxy on Cu(001) surfaces, were fcc and approximately four monolayers thick. The intensity of the Fe dichroism varied with Fe concentration, with larger dichroisms at lower Fe concentrations. The implication of these results to an ultrathin film analogue of the bulk Invar effect in Fe-Ni alloys will be discussed. These measurements were performed at the Spectromicroscopy Facility (Beamline 7.0.1) of the Advanced Light Source.

  4. Magnetic x-ray linear dichroism in resonant and non-resonant Gd 4f photoemission

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, S.; Gammon, W.J.; Pappas, D.P. [Virginia Commonwealth Univ., Richmond, VA (United States)] [and others

    1997-04-01

    The enhancement of the magnetic linear dichroism in resonant 4f photoemission (MLDRPE) is studied from a 50 monolayer film of Gd/Y(0001). The ALS at beamline 7.0.1 provided the source of linearly polarized x-rays used in this study. The polarized light was incident at an angle of 30 degrees relative to the film plane, and the sample magnetization was perpendicular to the photon polarization. The linear dichroism of the 4f core levels is measured as the photon energy is tuned through the 4d-4f resonance. The authors find that the MLDRPE asymmetry is strongest at the resonance. Near the threshold the asymmetry has several features which are out of phase with the fine structure of the total yield.

  5. Strong Linear Dichroism in Spin-Polarized Photoemission from Spin-Orbit-Coupled Surface States.

    Science.gov (United States)

    Bentmann, H; Maaß, H; Krasovskii, E E; Peixoto, T R F; Seibel, C; Leandersson, M; Balasubramanian, T; Reinert, F

    2017-09-08

    A comprehensive understanding of spin-polarized photoemission is crucial for accessing the electronic structure of spin-orbit coupled materials. Yet, the impact of the final state in the photoemission process on the photoelectron spin has been difficult to assess in these systems. We present experiments for the spin-orbit split states in a Bi-Ag surface alloy showing that the alteration of the final state with energy may cause a complete reversal of the photoelectron spin polarization. We explain the effect on the basis of ab initio one-step photoemission theory and describe how it originates from linear dichroism in the angular distribution of photoelectrons. Our analysis shows that the modulated photoelectron spin polarization reflects the intrinsic spin density of the surface state being sampled differently depending on the final state, and it indicates linear dichroism as a natural probe of spin-orbit coupling at surfaces.

  6. Inversed linear dichroism in F K-edge NEXAFS spectra of fluorinated planar aromatic molecules

    DEFF Research Database (Denmark)

    de Oteyza, D. G.; Sakko, A.; El-Sayed, A.

    2012-01-01

    The symmetry and energy distribution of unoccupied molecular orbitals is addressed in this work by means of NEXAFS and density functional theory calculations for planar, fluorinated organic semiconductors (perfluorinated copper phthalocyanines and perfluoropentacene). We demonstrate how molecular...... orbitals with significant density of states on the fluorine atoms show different symmetry from those mainly located on C and N atoms. As a result, the angle-dependent linear dichroism in NEXAFS F K-edge spectra is inversed with respect to that in the C and N K-edges. In addition, the significant overlap...

  7. Linear and circular dichroism in angle resolved Fe 3p photomission. Revision 1

    International Nuclear Information System (INIS)

    Tamura, E.; Waddill, G.D.; Tobin, J.G.; Sterne, P.A.

    1994-01-01

    Using a recently developed spin-polarized, fully relativistic, multiple scattering approach based on the layer KKR Green function method, we have reproduced the Fe 3p angle-resolved soft x-ray photoemission spectra and analyzed the associated large magnetic dichroism effects for excitation with both linearly and circularly polarized light. Comparison between theory and experiment yields a spin-orbit splitting of 1.0--1.2 eV and an exchange splitting of 0.9-- 1.0 eV for Fe 3p. These values are 50--100% larger than those hitherto obtained experimentally

  8. Determining Molecular Orientations in Disordered Materials from X-ray Linear Dichroism at the Iodine L1-Edge.

    Science.gov (United States)

    Palmer, Benjamin A; Collins, Stephen P; Hulliger, Jürg; Hughes, Colan E; Harris, Kenneth D M

    2016-12-21

    To demonstrate that measurements of X-ray linear dichroism are effective for determining bond orientations in disordered materials, we report the first observation of X-ray linear dichroism at the iodine L 1 -edge. The iodine-containing molecular solid studied in this work was the inclusion compound containing 4,4'-diiodobiphenyl guest molecules in the perhydrotriphenylene host structure. In this material, the guest substructure does not exhibit three-dimensional ordering, and thus diffraction-based techniques do not provide insights on the orientational properties of the guest molecules. Iodine L 1 -edge X-ray absorption spectra, recorded as a function of orientation of a single crystal of the material, exhibit significant dichroism (whereas no dichroism is observed at the iodine L 2 - and L 3 -edges). From quantitative analysis of the X-ray dichroism, the orientational properties of the C-I bonds within this material are established. The results pave the way for applying X-ray dichroism to determine molecular orientational properties of other materials, especially for partially ordered materials such as liquid crystals, confined liquids, and disordered crystalline phases, for which diffraction techniques may not be applicable.

  9. Linear and circular dichroism characterization of thionine binding mode with DNA polynucleotides

    Science.gov (United States)

    Tuite, Eimer Mary; Nordén, Bengt

    2018-01-01

    The binding mode of thionine (3,7-diamino-5-phenothiazinium) with alternating and non-alternating DNA polynucleotides at low binding ratios was conclusively determined using linear and circular dichroism spectroscopies. The binding to [poly(dG-dC)]2 and poly(dG)·poly(dC) was purely intercalative and was insensitive to ionic strength. Intercalative binding to [poly(dA-dT)]2 is observed at low ionic strength, but a shift of some dye to an non-intercalative mode is observed as the background salt concentration increases. With poly(dA)·poly(dT), intercalative binding is unfavourable, although some dye molecules may intercalate at low ionic strength, and groove binding is strongly promoted with increasing concentration of background salt. However, stacking with bases is observed with single-stranded poly(dA) and with triplex poly(dT)*poly(dA)·poly(dT) which suggests that the unusual structure of poly(dA)·poly(dT) precludes intercalation. Thionine behaves similarly to the related dye methylene blue, and small differences may be attributed either to the ability of thionine to form H-bonds that stabilize intercalation or to its improved stacking interactions in the basepair pocket on steric grounds.

  10. Co-occurrence of linear and circular dichroism in chiral sculptured ZrO2 thin films

    Science.gov (United States)

    Muhammad, Zahir; Wali, Faiz; Song, Li

    2018-01-01

    Three dimensional chiral metamaterials, have unique helical shaped morphologies and periodically varying permittivity, possess inherent fascinatingly chiroptical activity in developing potential photonic applications. Herein, we demonstrate a systemic simulations of optical activity in chiral sculptured thin films (CSTFs) made of ZrO2 . In particular, a circular dichroism (CD) and linear dichroism (LD) are scrutinized for the proposed ZrO2 CSTFs. From the calculated differential absorption, LD and CD spectrum is computed using linear and circular polarized light beams respectively. The signated mode of different peaks for LD and CD is observed at different sweep angles with a large LD effect. Moreover, the CD diminishes at large sweep angle. This finding strongly indicates high potential of our proposed helical ZrO2 nanostructures as a perfect polarization converter. Simultaneously, optical remittance of different helical nanostructures are also compared.

  11. Magnetic linear dichroism in x-ray emission spectroscopy: Yb in Yb3 Fe5 O12

    NARCIS (Netherlands)

    Groot, F.M.F. de; Krisch, M.H.; Sette, F.; Vogel, J.

    2000-01-01

    A magnetic linear dichroism MLD effect of up to 5% has been observed in the 2p 1/2 4d x-ray emission spectrum of Yb in Yb 3 Fe 5 O 12 . The spectral shape is well reproduced with an atomic multiplet calculation of the 4d to 2p decay. It is shown that the details of the spectral shapes are

  12. Rare-Earth Fourth-Order Multipole Moment in Cubic ErCo2 Probed by Linear Dichroism in Core-Level Photoemission

    Science.gov (United States)

    Abozeed, Amina A.; Kadono, Toshiharu; Sekiyama, Akira; Fujiwara, Hidenori; Higashiya, Atsushi; Yamasaki, Atsushi; Kanai, Yuina; Yamagami, Kohei; Tamasaku, Kenji; Yabashi, Makina; Ishikawa, Tetsuya; Andreev, Alexander V.; Wada, Hirofumi; Imada, Shin

    2018-03-01

    We developed a method to experimentally quantify the fourth-order multipole moment of the rare-earth 4f orbital. Linear dichroism (LD) in the Er 3d5/2 core-level photoemission spectra of cubic ErCo2 was measured using bulk-sensitive hard X-ray photoemission spectroscopy. Theoretical calculation reproduced the observed LD, and the result showed that the observed result does not contradict the suggested Γ 83 ground state. Theoretical calculation further showed a linear relationship between the LD size and the size of the fourth-order multipole moment of the Er3+ ion, which is proportional to the expectation value , where Onm are the Stevens operators. These analyses indicate that the LD in 3d photoemission spectra can be used to quantify the average fourth-order multipole moment of rare-earth atoms in a cubic crystal electric field.

  13. Molecular and vibrational structure of diphenylether and its 4,4' -dibromo derivative. Infrared linear dichroism spectroscopy and density functional theory calculations

    DEFF Research Database (Denmark)

    Eriksen, Troels K; Karlsen, Eva; Spanget-Larsen, Jens

    2015-01-01

    The title compounds were investigated by means of Linear Dichroism (LD) IR spectroscopy on samples partially aligned in uniaxially stretched low-density polyethylene and by density functional theory calculations. Satisfactory overall agreement between observed and calculated vibrational wavenumbers...

  14. Electronic states of the fluorophore 9,10-bis(phenylethynyl)anthracene (BPEA). A synchrotron radiation linear dichroism investigation

    DEFF Research Database (Denmark)

    Thulstrup, Peter Waaben; Jones, Nykola; Hoffmann, Søren Vrønning

    2013-01-01

    temperature spectroscopy and by quantum chemical calculations in the LCOAO and TD-DFT models. The combined experimental and theoretical evidence leads to characterization of several previously unobserved transitions and provides a revised polarization analysis of the visible absorption band of BPEA.......The electronic transitions of 9,10-bis(phenylethynyl)anthracene (BPEA) were investigated by synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 20000–58000 cm1 (500–170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

  15. Live cell linear dichroism imaging reveals extensive membrane ruffling within the docking structure of natural killer cell immune synapses

    DEFF Research Database (Denmark)

    Benninger, Richard K P; Vanherberghen, Bruno; Young, Stephen

    2009-01-01

    We have applied fluorescence imaging of two-photon linear dichroism to measure the subresolution organization of the cell membrane during formation of the activating (cytolytic) natural killer (NK) cell immune synapse (IS). This approach revealed that the NK cell plasma membrane is convoluted...... into ruffles at the periphery, but not in the center of a mature cytolytic NK cell IS. Time-lapse imaging showed that the membrane ruffles formed at the initial point of contact between NK cells and target cells and then spread radialy across the intercellular contact as the size of the IS increased, becoming...

  16. Electronic states of model hydrocarbon chromophores investigated by Synchrotron Radiation Linear Dichroism (SRLD) spectroscopy on aligned samples

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Hoffmann, Søren Vrønning; Jones, Nykola

    2010-01-01

    Conventional UV-VIS absorption spectroscopy provides information on transition energies and intensities. Linear dichroism (LD) spectroscopy on aligned molecular samples yields additional information on transition moment directions, thereby frequently leading to resolution of otherwise overlapping...... for four hydrocarbons which are of interest as model compounds for molecular wires and switches: 1)  Diphenylethyne (tolane, DPA) 2)  1,4-Bis(phenylethynyl)benzene (BPEB) 3)  (E)-1,2-Diphenylethene (stilbene, DPE) 4)  (E,E’)-1,4-Diphenyl-1,3-butadiene (DPB)...

  17. Nanoscale x-ray magnetic circular dichroism probing of electric-field-induced magnetic switching in multiferroic nanostructures

    Science.gov (United States)

    Zhao, T.; Scholl, A.; Zavaliche, F.; Zheng, H.; Barry, M.; Doran, A.; Lee, K.; Cruz, M. P.; Ramesh, R.

    2007-03-01

    The magnetic structure as well as its response to an external electric field were studied in ferrimagnetic CoFe2O4 nanopillars embedded in an epitaxial ferroelectric BiFeO3 film using photoemission electron microscopy and x-ray magnetic circular dichroism. Magnetic switching was observed in both Co and Fe magnetic sublattices after application of an electric field. About 50% of the CoFe2O4 nanopillars were measured to switch their magnetization with the electric field, implying an elastic-mediated electric-field-induced magnetic anisotropy change.

  18. Magnetometry of buried layers—Linear magnetic dichroism and spin detection in angular resolved hard X-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Gloskovskii, Andrei; Stryganyuk, Gregory; Fecher, Gerhard H.; Felser, Claudia; Thiess, Sebastian; Schulz-Ritter, Heiko; Drube, Wolfgang; Berner, Götz; Sing, Michael; Claessen, Ralph; Yamamoto, Masafumi

    2012-01-01

    Highlights: ► Newly commissioned HAXPES instrument at P09 beamline of the PETRA III ring at DESY. ► We report HAXPES studies on buried magnetic nanolayers in a multi-layer sample. ► Linear magnetic dichroism of photoelectrons from buried CoFe–Ir 78 Mn 22 layers. ► Spin-resolved HAXPES measurements on buried magnetic multilayers using Mott detector. - Abstract: The electronic properties of buried magnetic nano-layers were studied using the linear magnetic dichroism in the angular distribution of photoemitted Fe, Co, and Mn 2p electrons from a CoFe–Ir 78 Mn 22 multi-layered sample. The buried layers were probed using hard X-ray photoelectron spectroscopy, HAXPES, at the undulator beamline P09 of the 3rd generation storage ring PETRA III. The results demonstrate that this magnetometry technique can be used as a sensitive element specific probe for magnetic properties suitable for application to buried ferromagnetic and antiferromagnetic magnetic materials and multilayered spintronics devices. Using the same instrument, spin-resolved Fe 2p HAXPES spectra were obtained from the buried layer with good signal quality.

  19. Fluorescence-Detected Linear Dichroism of Wood Cell Walls in Juvenile Serbian Spruce: Estimation of Compression Wood Severity.

    Science.gov (United States)

    Savić, Aleksandar; Mitrović, Aleksandra; Donaldson, Lloyd; Simonović Radosavljević, Jasna; Bogdanović Pristov, Jelena; Steinbach, Gabor; Garab, Győző; Radotić, Ksenija

    2016-04-01

    Fluorescence-detected linear dichroism (FDLD) microscopy provides observation of structural order in a microscopic sample and its expression in numerical terms, enabling both quantitative and qualitative comparison among different samples. We applied FDLD microscopy to compare the distribution and alignment of cellulose fibrils in cell walls of compression wood (CW) and normal wood (NW) on stem cross-sections of juvenile Picea omorika trees. Our data indicate a decrease in cellulose fibril order in CW compared with NW. Radial and tangential walls differ considerably in both NW and CW. In radial walls, cellulose fibril order shows a gradual decrease from NW to severe CW, in line with the increase in CW severity. This indicates that FDLD analysis of cellulose fibril order in radial cell walls is a valuable method for estimation of CW severity.

  20. Eigenmodes of spin vertical-cavity surface-emitting lasers with local linear birefringence and gain dichroism

    Science.gov (United States)

    Fördös, T.; Jaffrès, H.; Postava, K.; Seghilani, M. S.; Garnache, A.; Pištora, J.; Drouhin, H. J.

    2017-10-01

    We present a general method for the modeling of semiconductor lasers such as a vertical-cavity surface-emitting laser and a vertical-external-cavity surface-emitting laser containing multiple quantum wells and involving anisotropies that may reveal (i) a local linear birefringence due to the strain field at the surface or (ii) a birefringence in quantum wells due to phase amplitude coupling originating from the reduction of the biaxial D2 d symmetry group to the C2 v symmetry group at the III-V ternary semiconductor interfaces. From a numerical point of view, a scattering S-matrix recursive method is implemented using a gain or amplification tensor derived analytically from the Maxwell-Bloch equations. It enables one to model the properties of the emission (threshold, polarization, and mode splitting) from the laser with multiple quantum well active zones by searching for the resonant eigenmodes of the cavity. The method is demonstrated on real laser structures and is presently used for the extraction of optical permittivity tensors of surface strain and quantum wells in agreement with experiments. The method can be generalized to find the laser eigenmodes in the most general case of circular polarized pumps (unbalance between the spin-up and spin-down channels) and/or dichroism allowing an elliptically polarized light emission as recently demonstrated experimentally when the linear birefringence is almost compensated [Joly et al., Opt. Lett. 42, 651 (2017), 10.1364/OL.42.000651].

  1. A new highly adaptable design of shear-flow device for orientation of macromolecules for Linear Dichroism (LD) measurement

    KAUST Repository

    Lundahl, P. Johan

    2011-01-01

    This article presents a new design of flow-orientation device for the study of bio-macromolecules, including DNA and protein complexes, as well as aggregates such as amyloid fibrils and liposome membranes, using Linear Dichroism (LD) spectroscopy. The design provides a number of technical advantages that should make the device inexpensive to manufacture, easier to use and more reliable than existing techniques. The degree of orientation achieved is of the same order of magnitude as that of the commonly used concentric cylinders Couette flow cell, however, since the device exploits a set of flat strain-free quartz plates, a number of problems associated with refraction and birefringence of light are eliminated, increasing the sensitivity and accuracy of measurement. The device provides similar shear rates to those of the Couette cell but is superior in that the shear rate is constant across the gap. Other major advantages of the design is the possibility to change parts and vary sample volume and path length easily and at a low cost. © 2011 The Royal Society of Chemistry.

  2. Vibrational circular dichroism and electric-field shielding tensors: A new physical interpretation based on nonlocal susceptibility densities

    Science.gov (United States)

    Hunt, Katharine L. C.; Harris, Robert A.

    1991-06-01

    Motion of nuclei within a molecule induces a magnetic moment me in the electronic charge distribution, giving a nonzero electronic contribution to the magnetic transition dipole that produces vibrational circular dichroism. In this paper, we develop a new susceptibility density theory for the induced magnetic moment. The theory is based on the response of the electrons to changes in the nuclear Coulomb field, due to shifts in nuclear positions. The electronic response to these changes depends on the same susceptibility densities that determine response to external fields. Our analysis suggests a new physical picture of vibrational circular dichroism. It yields an equation for the density of the induced electronic magnetic moment within a molecule; it also yields a new relation connecting the electric-field shielding at nucleus I of a molecule in an applied magnetic field of frequency ω to the derivative of me with respect to the velocity of nucleus I, regarded as a parameter in the electronic wave function. Within our theory, the derivative of me with respect to nuclear velocity separates into quantum-mechanical and classical components in close analogy with the Hellmann-Feynman theorem for forces on nuclei. In matrix-element form, results from our theory are identical to those obtained with nonadiabatic perturbation theory, to leading order. In general, the leading nonadiabatic corrections to electronic properties are determined directly by the electrons' response to the changes in the nuclear Coulomb field, when the nuclei move.

  3. Structure of human Rad51 protein filament from molecular modeling and site-specific linear dichroism spectroscopy

    KAUST Repository

    Reymer, A.

    2009-07-08

    To get mechanistic insight into the DNA strand-exchange reaction of homologous recombination, we solved a filament structure of a human Rad51 protein, combining molecular modeling with experimental data. We build our structure on reported structures for central and N-terminal parts of pure (uncomplexed) Rad51 protein by aid of linear dichroism spectroscopy, providing angular orientations of substituted tyrosine residues of Rad51-dsDNA filaments in solution. The structure, validated by comparison with an electron microscopy density map and results from mutation analysis, is proposed to represent an active solution structure of the nucleo-protein complex. An inhomogeneously stretched double-stranded DNA fitted into the filament emphasizes the strategic positioning of 2 putative DNA-binding loops in a way that allows us speculate about their possibly distinct roles in nucleo-protein filament assembly and DNA strand-exchange reaction. The model suggests that the extension of a single-stranded DNA molecule upon binding of Rad51 is ensured by intercalation of Tyr-232 of the L1 loop, which might act as a docking tool, aligning protein monomers along the DNA strand upon filament assembly. Arg-235, also sitting on L1, is in the right position to make electrostatic contact with the phosphate backbone of the other DNA strand. The L2 loop position and its more ordered compact conformation makes us propose that this loop has another role, as a binding site for an incoming double-stranded DNA. Our filament structure and spectroscopic approach open the possibility of analyzing details along the multistep path of the strand-exchange reaction.

  4. The vibrational structure of (E,E’)-1,4-diphenyl-1,3-butadiene. Linear dichroism FTIR spectroscopy and quantum chemical calculations

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Møller, Søren; Spanget-Larsen, Jens

    2006-01-01

    The title compound (DPB) was investigated by FTIR spectroscopy in liquid solutions and by FTIR linear dichroism (LD) measurements on samples aligned in stretched polyethylene. The LD data provided experimental assignments of molecular transition moment directions and vibrational symmetries for mo...... of a nearly complete assignment of the IR active fundamentals of DPB, involving reassignment of a number of transitions. In addition, previously published Raman spectra of DPB were well predicted by the B3LYP/cc-pVTZ calculations....

  5. Investigation of chromophore-chromophore interaction by electro-optic measurements, linear dichroism, x-ray scattering, and density-functional calculations

    DEFF Research Database (Denmark)

    Apitz, Dirk; Bertram, R.P.; Benter, N.

    2005-01-01

    Free-beam interferometry and angle-resolved absorption spectra are used to investigate the linear electro-optic coefficients and the linear dichroism in photoaddressable bis-azo copolymer thin films. From the first- and second order parameters deduced, the chromophore orientation distribution is ...... by density-functional calculations support the picture of differently aligned bis-azo dye molecules in a trans,trans configuration. Complementary wide-angle x-ray scattering is recorded to confirm the various kinds of ordering in samples poled at different temperatures....

  6. Versatile spectrophotometer for photosynthesis (light-induced changes in absorbance and fluorescence yield, circular and linear dichroism) and other biophysical measurements

    Science.gov (United States)

    Ke, Bacon; Breeze, Robert H.; Dolan, Edward; Vore, Duane

    1985-01-01

    The construction of a versatile, single-beam spectrophotometer expanded from a previously reported circular dichrometer utilizing an elasto-optic modulator (EOM) for producing circular polarization, is described. The new spectrophotometer is capable of measuring circular dichroism as well as linear dichroism and light-induced changes in absorbance and fluorescence yield, the latter being two of the most commonly measured properties in photosynthesis research. The use of an EOM, along with a phase-sensitive detector, affords high sensitivity and at the same time, in conjuction with a mechanical phosphoroscopic device, a high degree of immunity from artifacts in studies employing actinic light. A description is given of the generation and use of timing signals essential for control and signal processing. Its performance is illustrated by examples drawn from light-induced absorbance and fluorescence-yield changes associated with photosynthetic electron transport and changes in redox state of electron carriers. This photometer, with very little modification, may also be used to perform a host of other types of measurements.

  7. Linear electric machines, drives, and MAGLEVs handbook

    CERN Document Server

    Boldea, Ion

    2013-01-01

    Based on author Ion Boldea's 40 years of experience and the latest research, Linear Electric Machines, Drives, and Maglevs Handbook provides a practical and comprehensive resource on the steady improvement in this field. The book presents in-depth reviews of basic concepts and detailed explorations of complex subjects, including classifications and practical topologies, with sample results based on an up-to-date survey of the field. Packed with case studies, this state-of-the-art handbook covers topics such as modeling, steady state, and transients as well as control, design, and testing of li

  8. [Experimental studies of the development of linear electric current marks].

    Science.gov (United States)

    Schroeder, G; Windus, G; Tröger, H D

    1989-01-01

    By means of reconstructing electric current pathways electrophysical conditions were explored causing electrocution death in the bathtub, according to many authors quite often indicated by linear electric lesions. In our experimental settings we observed appearance of circumscribed linear marks of pallor similar to electric lesions in the region of postmortem lividity of corpses at the same level as bathtub water. None of typical histological indicators could be seen in skin samples. So no evidence was given for electric burns even under conditions of high density and extended duration of current. Similar linear marks and equivalent histological results were found when corpses were put into the bathtub filled with cold water without any experimental electric contact. Linear marks of pallor may occur at water level even without any electric contact to corpse or water neither bathtub. According to specific conditions mentioned above linear so called electric lesions at water level do not indicate electric current yet lethal electric damage.

  9. Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations.

    Science.gov (United States)

    Lamhasni, T; Ait Lyazidi, S; Hnach, M; Haddad, M; Desmaële, D; Spanget-Larsen, J; Nguyen, D D; Ducasse, L

    2013-09-01

    The photophysical properties of the antiviral 7-nicotinoyl-styrylquinoline (MB96) were investigated by means of UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched polyvinylalcohol (PVA), supported by time dependent density functional theory (TD-DFT) calculations. Experimentally, the directions of the transitions moments with respect to the long axis of the molecule were deduced from the orientation K factors, determined by means of "trial-and-error" procedure. The absorption spectrum presents two parts. The main transition in the lowest energy part, observed around 365 nm and showing the highest K value 0.8, is longitudinally in-plane polarized. The highest energy part which is extended between 230 and 320 nm, large, diffuse, and of weak intensity, shows estimated K values between 0.2 and 0.5. This complex structure is transversally polarized with some contamination by the longitudinal character of the first strong band. The TD-DFT results agree fairly well with the LD measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations

    Science.gov (United States)

    Lamhasni, T.; Ait Lyazidi, S.; Hnach, M.; Haddad, M.; Desmaële, D.; Spanget-Larsen, J.; Nguyen, D. D.; Ducasse, L.

    2013-09-01

    The photophysical properties of the antiviral 7-nicotinoyl-styrylquinoline (MB96) were investigated by means of UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched polyvinylalcohol (PVA), supported by time dependent density functional theory (TD-DFT) calculations. Experimentally, the directions of the transitions moments with respect to the long axis of the molecule were deduced from the orientation K factors, determined by means of “trial-and-error” procedure. The absorption spectrum presents two parts. The main transition in the lowest energy part, observed around 365 nm and showing the highest K value 0.8, is longitudinally in-plane polarized. The highest energy part which is extended between 230 and 320 nm, large, diffuse, and of weak intensity, shows estimated K values between 0.2 and 0.5. This complex structure is transversally polarized with some contamination by the longitudinal character of the first strong band. The TD-DFT results agree fairly well with the LD measurements.

  11. Linear electric field time-of-flight ion mass spectrometer

    Science.gov (United States)

    Funsten, Herbert O [Los Alamos, NM; Feldman, William C [Los Alamos, NM

    2008-06-10

    A linear electric field ion mass spectrometer having an evacuated enclosure with means for generating a linear electric field located in the evacuated enclosure and means for injecting a sample material into the linear electric field. A source of pulsed ionizing radiation injects ionizing radiation into the linear electric field to ionize atoms or molecules of the sample material, and timing means determine the time elapsed between ionization of atoms or molecules and arrival of an ion out of the ionized atoms or molecules at a predetermined position.

  12. Split-Stirling-cycle displacer linear-electric drive

    Science.gov (United States)

    Ackermann, R. A.; Bhate, S. K.; Byrne, D. V.

    1983-01-01

    The retrofit of a 1/4-W split-Stirling cooler with a linear driven on the displacer was achieved and its performance characterized. The objective of this work was to demonstrate that a small linear motor could be designed to meet the existing envelope specifications of the cooler and that an electric linear drive on the displacer could improve the cooler's reliability and performance. The paper describes the characteristics of this motor and presents cooler test results.

  13. Dichroism in spinach chloroplasts

    NARCIS (Netherlands)

    Thomas, J.B.; Lierop, J.H. van; Ham, M. ten

    1967-01-01

    In spinach chloroplasts oriented at steel-water interfaces parallel to the light beam a distinct dichroism is measured at about 680 nm. This dichroism is minimal upon addition of sucrose up to a final concentration of 0.18 M to the medium, the dichroic ratio amounting to 1.02. It is concluded that

  14. Optical dichroism: E1-M1 integral relations

    International Nuclear Information System (INIS)

    Marri, Ivan; Carra, Paolo; Bertoni, C M

    2006-01-01

    The present paper discusses optical dichroism in noncentrosymmetric systems. The cases of circular and linear polarizations are considered. Integrated spectra are interpreted using effective two-electron operators, which are derived within a localized (atomic) model. As a consequence, our theory is not suitable for quantitative predictions; nevertheless, it identifies microscopic origins of natural, nonreciprocal and Jones' dichroisms

  15. Electric or pneumatic? Comparing electric and pneumatic linear drives with regard to energy efficiency and costs

    OpenAIRE

    Hirzel, Simon; Hettesheimer, Tim; Schröter, Marcus

    2014-01-01

    Linear drives are broadly used in industrial automation, e.g. for material handling systems, assembly lines or machine tools. In many applications, both compressed-air powered pneumatic drives as well as linear electric drives can be used. The use of compressed air is generally associated with comparatively low energy efficiency. This has triggered a debate about the energy-related performance of alternative drive systems. In this paper, we contribute to this debate by providing insights into...

  16. Linear engine development for series hybrid electric vehicles

    Science.gov (United States)

    Toth-Nagy, Csaba

    This dissertation argues that diminishing oil reserves, concern over global climate change, and desire to improve ambient air quality all demand the development of environment-friendly personal transportation. In certain applications, series hybrid electric vehicles offer an attractive solution to reducing fuel consumption and emissions. Furthermore, linear engines are emerging as a powerplant suited to series HEV applications. In this dissertation, a linear engine/alternator was considered as the auxiliary power unit of a range extender series hybrid electric vehicle. A prototype linear engine/alternator was developed, constructed and tested at West Virginia University. The engine was a 2-stroke, 2-cylinder, dual piston, direct injection, diesel engine. Experiment on the engine was performed to study its behavior. The study variables included mass of the translator, amount of fuel injected, injection timing, load, and stroke with operating frequency and mechanical efficiency as the basis of comparison. The linear engine was analyzed in detail and a simple simulation model was constructed to compare the trends of simulation with the experimental data and to expand on the area where the experimental data were lacking. The simulation was based on a simple and analytical model, rather than a detailed and intensely numerical one. The experimental and theoretical data showed similar trends. Increasing translator mass decreased the operating frequency and increased compression ratio. Larger mass and increased compression ratio improved the ability of the engine to sustain operation and the engine was able to idle on less fuel injected into the cylinder. Increasing the stroke length caused the operating frequency to drop. Increasing fueling or decreasing the load resulted in increased operating frequency. This projects the possibility of using the operating frequency as an input for feedback control of the engine. Injection timing was varied to investigate two different

  17. Azerbaijan Technical University’s Experience in Teaching Linear Electrical Circuit Theory

    Directory of Open Access Journals (Sweden)

    G. A. Mamedov

    2006-01-01

    Full Text Available An experience in teaching linear electrical circuit theory at the Azerbaijan Technical University is presented in the paper. The paper describes structure of the Linear Electrical Circuit Theory course worked out by the authors that contains a section on electrical calculation of track circuits, information on electro-magnetic compatibility and typical tests for better understanding of the studied subject.

  18. Direct surface magnetometry with photoemission magnetic x-ray dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G.; Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States); Schumann, F.O. [Pennsylvania State Univ., University Park, PA (United States)] [and others

    1997-04-01

    Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the {open_quotes}sum rules.{close_quotes} Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data of linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source.

  19. Direct surface magnetometry with photoemission magnetic x-ray dichroism

    International Nuclear Information System (INIS)

    Tobin, J.G.; Goodman, K.W.; Schumann, F.O.

    1997-01-01

    Element specific surface magnetometry remains a central goal of synchrotron radiation based studies of nanomagnetic structures. One appealing possibility is the combination of x-ray absorption dichroism measurements and the theoretical framework provided by the open-quotes sum rules.close quotes Unfortunately, sum rule analysis are hampered by several limitations including delocalization of the final state, multi-electronic phenomena and the presence of surface dipoles. An alternative experiment, Magnetic X-Ray Dichroism in Photoelectron Spectroscopy, holds out promise based upon its elemental specificity, surface sensitivity and high resolution. Computational simulations by Tamura et al. demonstrated the relationship between exchange and spin orbit splittings and experimental data of linear and circular dichroisms. Now the authors have developed an analytical framework which allows for the direct extraction of core level exchange splittings from circular and linear dichroic photoemission data. By extending a model initially proposed by Venus, it is possible to show a linear relation between normalized dichroism peaks in the experimental data and the underlying exchange splitting. Since it is reasonable to expect that exchange splittings and magnetic moments track together, this measurement thus becomes a powerful new tool for direct surface magnetometry, without recourse to time consuming and difficult spectral simulations. The theoretical derivation will be supported by high resolution linear and circular dichroism data collected at the Spectromicroscopy Facility of the Advanced Light Source

  20. Electricity consumption forecasting in Italy using linear regression models

    International Nuclear Information System (INIS)

    Bianco, Vincenzo; Manca, Oronzio; Nardini, Sergio

    2009-01-01

    The influence of economic and demographic variables on the annual electricity consumption in Italy has been investigated with the intention to develop a long-term consumption forecasting model. The time period considered for the historical data is from 1970 to 2007. Different regression models were developed, using historical electricity consumption, gross domestic product (GDP), gross domestic product per capita (GDP per capita) and population. A first part of the paper considers the estimation of GDP, price and GDP per capita elasticities of domestic and non-domestic electricity consumption. The domestic and non-domestic short run price elasticities are found to be both approximately equal to -0.06, while long run elasticities are equal to -0.24 and -0.09, respectively. On the contrary, the elasticities of GDP and GDP per capita present higher values. In the second part of the paper, different regression models, based on co-integrated or stationary data, are presented. Different statistical tests are employed to check the validity of the proposed models. A comparison with national forecasts, based on complex econometric models, such as Markal-Time, was performed, showing that the developed regressions are congruent with the official projections, with deviations of ±1% for the best case and ±11% for the worst. These deviations are to be considered acceptable in relation to the time span taken into account. (author)

  1. Birefringence (spin rotation and spin dichroism) of high-energy deuterons

    International Nuclear Information System (INIS)

    Baryshevskij, V.G.; Rovba, A.A.

    2016-01-01

    The phenomenon of birefringence (spin rotation and spin dichroism) of high-energy deuterons, currently observed in experiments, is the macroscopic quantum effect similar to the birefringence effect known in optics. This paper considers the contribution coming to the spin dichroism effect from the interaction of deuteron electric quadrupole moment and nuclear electric field. The effect proves to be responsive to the behavior of deuteron ground state wave functions at a small distance. [ru

  2. Linear and nonlinear causality between sectoral electricity consumption and economic growth: Evidence from Taiwan

    International Nuclear Information System (INIS)

    Yang, Cheng-Lang; Lin, Hung-Pin; Chang, Chih-Heng

    2010-01-01

    This study investigates the linear and nonlinear causality between the total electricity consumption (TEC) and real gross domestic production (RGDP). Unlike previous literature, we solve the undetermined relation between RGDP and electricity consumption by classifying TEC into industrial sector consumption (ISC) and residential sector consumption (RSC) as well as investigating how TEC, ISC, and RSC influence Taiwan's RGDP. By using the Granger's linear causality test, it is shown that (i) there is a bidirectional causality among TEC, ISC, and RGDP, but a neutrality between RSC and RGDP with regard to the linear causality and (ii) there is still a bidirectional causality between TEC and RGDP, but a unidirectional causality between RSC and RGDP with regard to the nonlinear causality. On the basis of (i) and (ii), we suggest that the electricity policy formulators loosen the restriction on ISC and limit RSC in order to achieve the goal of economic growth.

  3. A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

    OpenAIRE

    Krishnan, M.

    2017-01-01

    We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostat...

  4. Photoproduction of long-lived holes and electronic processes in intrinsic electric fields seen through photoinduced absorption and dichroism in Ca sub 3 Ga sub 2 sub - sub x Mn sub x Ge sub 3 O sub 1 sub 2 garnets

    CERN Document Server

    Eremenko, V V; Kachur, I S; Piryatinskaya, V G; Ratner, A M; Kosmyna, M B; Nazarenko, B P; Puzikov, V M

    2003-01-01

    Long-lived photoinduced absorption and dichroism in the Ca sub 3 Ga sub 2 sub - sub x Mn sub x Ge sub 3 O sub 1 sub 2 garnets with x < 0.06 were examined versus temperature and pumping intensity. Unusual features of the kinetics of photoinduced phenomena are indicative of the underlying electronic processes. The comparison with the case of Ca sub 3 Mn sub 2 Ge sub 3 O sub 1 sub 2 , explored earlier by the authors, permits one to finally establish the main common mechanisms of photoinduced absorption and dichroism caused by random electric fields of photoproduced charges (hole polarons). The rate of their diffusion and relaxation through recombination is strongly influenced by the same fields, whose large statistical straggling is responsible for a broad continuous set of relaxation components (observed in the relaxation time range from 1 to about 1000 min). For Ca sub 3 Ga sub 2 sub - sub x Mn sub x Ge sub 3 O sub 1 sub 2 , the time and temperature dependences of photoinduced absorption and dichroism bear ...

  5. CALCULATION OF MAGNETIC-X-RAY DICHROISM IN 4D AND 5D ABSORPTION-SPECTRA OF ACTINIDES

    NARCIS (Netherlands)

    OGASAWARA, H; KOTANI, A; THOLE, BT

    1991-01-01

    We present atomic calculations of the magnetic dichroism in 4d and 5d x-ray-absorption (XAS) spectra of trivalent actinide ions. The calculations are carried out for both linearly and circularly polarized light at zero temperature. Large magnetic dichroism is predicted for 5d XAS with

  6. Tissue characterization using electrical impedance spectroscopy data: a linear algebra approach.

    Science.gov (United States)

    Laufer, Shlomi; Solomon, Stephen B; Rubinsky, Boris

    2012-06-01

    In this study, we use a new linear algebra manipulation on electrical impedance spectroscopy measurements to provide real-time information regarding the nature of the tissue surrounding the needle in minimal invasive procedures. Using a Comsol Multiphysics three-dimensional model, a phantom based on ex vivo animal tissue and in vivo animal data, we demonstrate how tissue inhomogeneity can be characterized without any previous knowledge of the electrical properties of the different tissues, except that they should not be linearly dependent on a certain frequency range. This method may have applications in needle biopsies, radiation seeds, or minimally invasive surgery and can reduce the number of computer tomography or magnetic resonance imaging images. We conclude by demonstrating how this mathematical approach can be useful in other applications.

  7. Comparison of two biomass-electricity generation technologies in Peninsular Malaysia using linear programming method

    International Nuclear Information System (INIS)

    Kumaran, P.; Hari, Z.; Boosroh, M.H.

    2006-01-01

    Two technologies have been considered to generate electricity using palm oil mill waste, the Empty Fruit Bunch (EFB) as power plant fuel. One technology is to build new 100% EFB fired power plants, located in the vicinity of the palm oil mill, in which the produced electricity would be connected to the national electricity grid system. The other technology is to transport all the available EFB fuel to an existing coal power station in which the EFB fuel would be blended with coal and co-fired in conventional coal power plant to produce electricity. A study intended to compare the difference between these two technologies, to obtain the same electricity generation, has been done. Linear programming software was used simulate the two technologies to generate 5% of Peninsular Malaysia's electricity demand in the year 2005. The study indicated that the co firing technology total cost is 43.7% cheaper than EFB technology and the fuel coat is competitive until transport cost reaches 78 RM/tone

  8. Linear Regression Model of the Ash Mass Fraction and Electrical Conductivity for Slovenian Honey

    Directory of Open Access Journals (Sweden)

    Mojca Jamnik

    2008-01-01

    Full Text Available Mass fraction of ash is a quality criterion for determining the botanical origin of honey. At present, this parameter is generally being replaced by the measurement of electrical conductivity (κ. The value κ depends on the ash and acid content of honey; the higher their content, the higher the resulting conductivity. A linear regression model for the relationship between ash and electrical conductivity has been established for Slovenian honey by analysing 290 samples of Slovenian honey (including acacia, lime, chestnut, spruce, fir, multifloral and mixed forest honeydew honey. The obtained model differs from the one proposed by the International Honey Commission (IHC in the slope, but not in the section part of the relation formula. Therefore, the Slovenian model is recommended when calculating the ash mass fraction from the results of electrical conductivity in samples of Slovenian honey.

  9. Economic planning for electric energy systems: a multi objective linearized approach for solution

    International Nuclear Information System (INIS)

    Mata Medeiros Branco, T. da.

    1986-01-01

    The economic planning problem associated to the expansion and operation of electrical power systems is considered in this study, represented for a vectorial objective function in which the minimization of resources involved and maximization of attended demand constitute goals to be satisfied. Supposing all the variables involved with linear characteristic and considering the conflict existing among the objectives to be achieved, in order to find a solution, a multi objective linearized approach is proposed. This approximation utilizes the compromise programming technique and linear programming methods. Generation and transmission are simultaneously considered into the optimization process in which associated losses and the capacity of each line are included. Illustrated examples are also presented with results discussed. (author)

  10. Optimal Willingness to Supply Wholesale Electricity Under Asymmetric Linearized Marginal Costs

    Directory of Open Access Journals (Sweden)

    David Hudgins

    2012-01-01

    Full Text Available This analysis derives the profit-maximizing willingness to supply functions for single-plant and multi-plant wholesale electricity suppliers that all incur linear marginal costs. The optimal strategy must result in linear residual demand functions in the absence of capacity constraints. This necessarily leads to a linear pricing rule structure that can be used by firm managers to construct their offer curves and to serve as a benchmark to evaluate firm profit-maximizing behavior. The procedure derives the cost functions and the residual demand curves for merged or multi-plant generators, and uses these to construct the individual generator plant offer curves for a multi-plant firm.

  11. Linear electrical circuits. Definitions - General theorems; Circuits electriques lineaires. Definitions - Theoremes generaux

    Energy Technology Data Exchange (ETDEWEB)

    Escane, J.M. [Ecole Superieure d' Electricite, 91 - Gif-sur-Yvette (France)

    2005-04-01

    The first part of this article defines the different elements of an electrical network and the models to represent them. Each model involves the current and the voltage as a function of time. Models involving time functions are simple but their use is not always easy. The Laplace transformation leads to a more convenient form where the variable is no more directly the time. This transformation leads also to the notion of transfer function which is the object of the second part. The third part aims at defining the fundamental operation rules of linear networks, commonly named 'general theorems': linearity principle and superimposition theorem, duality principle, Thevenin theorem, Norton theorem, Millman theorem, triangle-star and star-triangle transformations. These theorems allow to study complex power networks and to simplify the calculations. They are based on hypotheses, the first one is that all networks considered in this article are linear. (J.S.)

  12. Magnetic x-ray dichroism in ultrathin epitaxial films

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J.G.; Goodman, K.W. [Lawrence Berkeley National Lab., CA (United States); Cummins, T.R. [Univ. of Missouri, Rolla, MO (United States)] [and others

    1997-04-01

    The authors have used Magnetic X-ray Linear Dichroism (MXLD) and Magnetic X-ray Circular Dichroism (MXCD) to study the magnetic properties of epitaxial overlayers in an elementally specific fashion. Both MXLD and MXCD Photoelectron Spectroscopy were performed in a high resolution mode at the Spectromicroscopy Facility of the ALS. Circular Polarization was obtained via the utilization of a novel phase retarder (soft x-ray quarter wave plate) based upon transmission through a multilayer film. The samples were low temperature Fe overlayers, magnetic alloy films of NiFe and CoNi, and Gd grown on Y. The authors results include a direct comparison of high resolution angle resolved Photoelectron Spectroscopy performed in MXLD and MXCD modes as well as structural studies with photoelectron diffraction.

  13. Magnetic x-ray dichroism in ultrathin epitaxial films

    International Nuclear Information System (INIS)

    Tobin, J.G.; Goodman, K.W.; Cummins, T.R.

    1997-01-01

    The authors have used Magnetic X-ray Linear Dichroism (MXLD) and Magnetic X-ray Circular Dichroism (MXCD) to study the magnetic properties of epitaxial overlayers in an elementally specific fashion. Both MXLD and MXCD Photoelectron Spectroscopy were performed in a high resolution mode at the Spectromicroscopy Facility of the ALS. Circular Polarization was obtained via the utilization of a novel phase retarder (soft x-ray quarter wave plate) based upon transmission through a multilayer film. The samples were low temperature Fe overlayers, magnetic alloy films of NiFe and CoNi, and Gd grown on Y. The authors results include a direct comparison of high resolution angle resolved Photoelectron Spectroscopy performed in MXLD and MXCD modes as well as structural studies with photoelectron diffraction

  14. A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

    Science.gov (United States)

    Krishnan, M.

    2017-05-01

    We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or

  15. Linear response of field-aligned currents to the interplanetary electric field

    Science.gov (United States)

    Weimer, D. R.; Edwards, T. R.; Olsen, Nils

    2017-08-01

    Many studies that have shown that the ionospheric, polar cap electric potentials (PCEPs) exhibit a "saturation" behavior in response to the level of the driving by the solar wind. As the magnitudes of the interplanetary magnetic field (IMF) and electric field (IEF) increase, the PCEP response is linear at low driving levels, followed with a rollover to a more constant level. While there are several different theoretical explanations for this behavior, so far, no direct observational evidence has existed to confirm any particular model. In most models of this saturation, the interaction of the field-aligned currents (FACs) with the solar wind/magnetosphere/ionosphere system has a role. As the FACs are more difficult to measure, their behavior in response to the level of the IEF has not been investigated as thoroughly. In order to resolve the question of whether or not the FAC also exhibit saturation, we have processed the magnetic field measurements from the Ørsted, CHAMP, and Swarm missions, spanning more than a decade. As the amount of current in each region needs to be known, a new technique is used to separate and sum the current by region, widely known as R0, R1, and R2. These totals are found separately for the dawnside and duskside. Results indicate that the total FAC has a response to the IEF that is highly linear, continuing to increase well beyond the level at which the electric potentials saturate. The currents within each region have similar behavior.

  16. Circular dichroism spectroscopy of fluorescent proteins

    NARCIS (Netherlands)

    Visser, N.V.; Hink, M.A.; Borst, J.W.; Krogt, van der G.N.M.; Visser, A.J.W.G.

    2002-01-01

    Circular dichroism (CD) spectra have been obtained from several variants of green fluorescent protein: blue fluorescent protein (BFP), enhanced cyan fluorescent protein (CFP), enhanced green fluorescent protein (GFP), enhanced yellow fluorescent protein (YFP), all from Aequorea victoria, and the red

  17. Density functional response approach for the linear and nonlinear electric properties of molecules

    Science.gov (United States)

    Sophy, K. B.; Pal, Sourav

    2003-06-01

    This is a preliminary study toward implementation of analytic density functional response approach for molecules to obtain linear and nonlinear electric properties. The Kohn-Sham framework has been used with Gaussian basis sets. We propose a fully variational approach to obtain the response of electronic density in terms of the atomic orbital basis (contracted Gaussians). As a first step, this derivative of the Kohn-Sham operator is obtained by a finite field method using five different values of electric field. Using this, we obtain the energy derivatives up to third order using fully analytic expressions. We calculate the dipole moment, polarizability, and hyperpolarizability of the hydrogen fluoride (HF) molecule as a test case using different exchange-correlation functionals and basis sets within the present methodology. We also explore the feasibility of this response approach by studying the properties of the HF molecule for different H-F distances.

  18. Linear magnetic motor/generator. [to generate electric energy using magnetic flux for spacecraft power supply

    Science.gov (United States)

    Studer, P. A. (Inventor)

    1982-01-01

    A linear magnetic motor/generator is disclosed which uses magnetic flux to provide mechanical motion or electrical energy. The linear magnetic motor/generator includes an axially movable actuator mechanism. A permament magnet mechanism defines a first magnetic flux path which passes through a first end portion of the actuator mechanism. Another permament magnet mechanism defines a second magnetic flux path which passes through a second end portion of the actuator mechanism. A drive coil defines a third magnetic flux path passing through a third central portion of the actuator mechanism. A drive coil selectively adds magnetic flux to and subtracts magnetic flux from magnetic flux flowing in the first and second magnetic flux path.

  19. Identifying the nonlinear mechanical behaviour of micro-speakers from their quasi-linear electrical response

    Science.gov (United States)

    Zilletti, Michele; Marker, Arthur; Elliott, Stephen John; Holland, Keith

    2017-05-01

    In this study model identification of the nonlinear dynamics of a micro-speaker is carried out by purely electrical measurements, avoiding any explicit vibration measurements. It is shown that a dynamic model of the micro-speaker, which takes into account the nonlinear damping characteristic of the device, can be identified by measuring the response between the voltage input and the current flowing into the coil. An analytical formulation of the quasi-linear model of the micro-speaker is first derived and an optimisation method is then used to identify a polynomial function which describes the mechanical damping behaviour of the micro-speaker. The analytical results of the quasi-linear model are compared with numerical results. This study potentially opens up the possibility of efficiently implementing nonlinear echo cancellers.

  20. Improved quantum efficiency models of CZTSe: GE nanolayer solar cells with a linear electric field.

    Science.gov (United States)

    Lee, Sanghyun; Price, Kent J; Saucedo, Edgardo; Giraldo, Sergio

    2018-02-08

    We fabricated and characterized CZTSe:Ge nanolayer (quantum efficiency for Ge doped CZTSe devices. The linear electric field model is developed with the incomplete gamma function of the quantum efficiency as compared to the empirical data at forward bias conditions. This model is characterized with a consistent set of parameters from a series of measurements and the literature. Using the analytical modelling method, the carrier collection profile in the absorber is calculated and closely fitted by the developed mathematical expressions to identify the carrier dynamics during the quantum efficiency measurement of the device. The analytical calculation is compared with the measured quantum efficiency data at various bias conditions.

  1. Exciton circular dichroism in channelrhodopsin.

    Science.gov (United States)

    Pescitelli, Gennaro; Kato, Hideaki E; Oishi, Satomi; Ito, Jumpei; Maturana, Andrés Daniel; Nureki, Osamu; Woody, Robert W

    2014-10-16

    Channelrhodopsins (ChRs) are of great interest currently because of their important applications in optogenetics, the photostimulation of neurons. The absorption and circular dichroism (CD) spectra of C1C2, a chimera of ChR1 and ChR2 of Chlamydomonas reinhardtii, have been studied experimentally and theoretically. The visible absorption spectrum of C1C2 shows vibronic fine structure in the 470 nm band, consistent with the relatively nonpolar binding site. The CD spectrum has a negative band at 492 nm (Δε(max) = -6.17 M(-1) cm(-1)) and a positive band at 434 nm (Δε(max) = +6.65 M(-1) cm(-1)), indicating exciton coupling within the C1C2 dimer. Time-dependent density functional theory (TDDFT) calculations are reported for three models of the C1C2 chromophore: (1) the isolated protonated retinal Schiff base (retPSB); (2) an ion pair, including the retPSB chromophore, two carboxylate side chains (Asp 292, Glu 162), modeled by acetate, and a water molecule; and (3) a hybrid quantum mechanical/molecular mechanical (QM/MM) model depicting the binding pocket, in which the QM part consists of the same ion pair as that in (2) and the MM part consists of the protein residues surrounding the ion pair within 10 Å. For each of these models, the CD of both the monomer and the dimer was calculated with TDDFT. For the dimer, DeVoe polarizability theory and exciton calculations were also performed. The exciton calculations were supplemented by calculations of the coupling of the retinal transition with aromatic and peptide group transitions. For the dimer, all three methods and three models give a long-wavelength C2-axis-polarized band, negative in CD, and a short-wavelength band polarized perpendicular to the C2 axis with positive CD, differing in wavelength by 1-5 nm. Only the retPSB model gives an exciton couplet that agrees qualitatively with experiment. The other two models give a predominantly or solely positive band. We further analyze an N-terminal truncated mutant

  2. Tetraarylcyclobutadienecyclopentadienylcobalt Complexes: Synthesis, Electronic Spectra, Magnetic Circular Dichroism, Linear Dichroism, and TD DFT Calculations

    Czech Academy of Sciences Publication Activity Database

    Kottas, G. S.; Brotin, T.; Schwab, P. F. H.; Gala, K.; Havlas, Zdeněk; Kirby, J. P.; Miller, J. R.; Michl, Josef

    2014-01-01

    Roč. 33, č. 13 (2014), s. 3251-3264 ISSN 0276-7333 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : catalytic asymmetric synthesis * altitudinal molecular rotors * organometallic pi-complexes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.126, year: 2014

  3. Effect of Enhanced Air Temperature (extreme heat, and Load of Non-Linear Against the Use of Electric Power

    Directory of Open Access Journals (Sweden)

    I Ketut Wijaya

    2015-12-01

    Full Text Available Usage Electric power is very easy to do, because the infrastructure for connecting  already available and widely sold. Consumption electric power is not accompanied by the ability to recognize electric power. The average increase of electricity power in Bali in extreme weather reaches 10% in years 2014, so that Bali suffered power shortages and PLN as the manager of electric power to perform scheduling on of electric power usage. Scheduling is done because many people use electric power as the load  of fan and Air Conditioner exceeding the previous time. Load of fan, air conditioning, and computers including non-linear loads which can add heat on the conductor of electricity. Non-linear load and hot weather can lead to heat on conductor so  insulation damaged  and cause electrical short circuit. Data of electric power obtained through questionnaires, surveys, measurement and retrieve data from various parties. Fires that occurred in 2014, namely 109 events, 44 is  event caused by an electric short circuit (approximately 40%. Decrease power factors can cause losses of electricity and hot. Heat can cause and adds heat on the  conductor electric. The analysis showed  understanding electric power of the average  is 27,700 with value between 20 to 40. So an understanding of the electrical power away from the understand so that many errors because of the act own. Installation tool ELCB very necessary but very necessary provide counseling   of electricity to the community.

  4. Phase Structure Of The Linear SIGMA Model With Electric Neutrality Constraint

    International Nuclear Information System (INIS)

    Tran Huu Phat; Nguyen Van Thu; Nguyen Van Long

    2011-01-01

    The phase structure of the linear sigma model with the electric neutrality is systematically studied by means of the Cornwall-Jackiw-Tomboulis effective potential. The latter quantity is calculated in the improved Hartree-Fock approximation which preserves the Goldstone theorem and the thermodynamic consistency. It results that in the chiral limit, as function of μ, the pion condensate undergoes a second order phase transition and, as function of , it undergoes a first order phase transition. In the physical world, where the chiral symmetry is explicitly broken, the chiral symmetry gets partial restoration as T (or μ) grows and the pion condensation is a first order phase transition occurring at μ μ c π , the pion mass in vacuum. (author)

  5. A Mixed Integer Linear Programming Approach to Electrical Stimulation Optimization Problems.

    Science.gov (United States)

    Abouelseoud, Gehan; Abouelseoud, Yasmine; Shoukry, Amin; Ismail, Nour; Mekky, Jaidaa

    2018-02-01

    Electrical stimulation optimization is a challenging problem. Even when a single region is targeted for excitation, the problem remains a constrained multi-objective optimization problem. The constrained nature of the problem results from safety concerns while its multi-objectives originate from the requirement that non-targeted regions should remain unaffected. In this paper, we propose a mixed integer linear programming formulation that can successfully address the challenges facing this problem. Moreover, the proposed framework can conclusively check the feasibility of the stimulation goals. This helps researchers to avoid wasting time trying to achieve goals that are impossible under a chosen stimulation setup. The superiority of the proposed framework over alternative methods is demonstrated through simulation examples.

  6. Spatial generalized linear mixed models of electric power outages due to hurricanes and ice storms

    International Nuclear Information System (INIS)

    Liu Haibin; Davidson, Rachel A.; Apanasovich, Tatiyana V.

    2008-01-01

    This paper presents new statistical models that predict the number of hurricane- and ice storm-related electric power outages likely to occur in each 3 kmx3 km grid cell in a region. The models are based on a large database of recent outages experienced by three major East Coast power companies in six hurricanes and eight ice storms. A spatial generalized linear mixed modeling (GLMM) approach was used in which spatial correlation is incorporated through random effects. Models were fitted using a composite likelihood approach and the covariance matrix was estimated empirically. A simulation study was conducted to test the model estimation procedure, and model training, validation, and testing were done to select the best models and assess their predictive power. The final hurricane model includes number of protective devices, maximum gust wind speed, hurricane indicator, and company indicator covariates. The final ice storm model includes number of protective devices, ice thickness, and ice storm indicator covariates. The models should be useful for power companies as they plan for future storms. The statistical modeling approach offers a new way to assess the reliability of electric power and other infrastructure systems in extreme events

  7. Electrical impedance tomography through constrained sequential linear programming: a topology optimization approach

    Science.gov (United States)

    de Lima, Cícero R.; Mello, Luis A. M.; Gonzalez Lima, Raul; Silva, Emílio C. N.

    2007-09-01

    Electrical impedance tomography (EIT) is an imaging method that estimates conductivity distribution inside a body. In EIT, images are obtained by applying a sequence of low intensity electrical currents through electrodes attached to the body. Although in EIT there are serious difficulties to obtain a high-quality conductivity image, for medical applications this technology is safer and cheaper than other tomography techniques. The EIT deals with an inverse problem in which given the measured voltages on electrodes and a finite element (FE) model, it estimates the conductivity distribution, which are parameters of the FE model. In this work, the topology optimization method is applied as a reconstruction algorithm to obtain absolute images in EIT. It is an optimization method that has been applied successfully to structural mechanical applications and consists of systematically finding a conductivity distribution (or material distribution) in the domain that minimizes the difference between measured voltages and voltages calculated by using a computational model. This algorithm combines the finite element method and sequential linear programming (SLP) to solve the inverse problem of EIT. The SLP allows us to easily apply some regularization schemes based on included constraints in the topology optimization problem. Constraints based on image tuning control and weighted distance interpolation (WDI) are proposed, while a material model is applied to ensure the relaxation of the optimization problem. A new formulation to analytically perform the sensitivity analysis is proposed, using Maxwell's reciprocity theorem. To illustrate, the implemented algorithm is applied to obtain conductivity image distributions of some 2D examples using numerical and experimental data.

  8. A new linear back projection algorithm to electrical tomography based on measuring data decomposition

    International Nuclear Information System (INIS)

    Sun, Benyuan; Yue, Shihong; Cui, Ziqiang; Wang, Huaxiang

    2015-01-01

    As an advanced measurement technique of non-radiant, non-intrusive, rapid response, and low cost, the electrical tomography (ET) technique has developed rapidly in recent decades. The ET imaging algorithm plays an important role in the ET imaging process. Linear back projection (LBP) is the most used ET algorithm due to its advantages of dynamic imaging process, real-time response, and easy realization. But the LBP algorithm is of low spatial resolution due to the natural ‘soft field’ effect and ‘ill-posed solution’ problems; thus its applicable ranges are greatly limited. In this paper, an original data decomposition method is proposed, and every ET measuring data are decomposed into two independent new data based on the positive and negative sensing areas of the measuring data. Consequently, the number of total measuring data is extended to twice as many as the number of the original data, thus effectively reducing the ‘ill-posed solution’. On the other hand, an index to measure the ‘soft field’ effect is proposed. The index shows that the decomposed data can distinguish between different contributions of various units (pixels) for any ET measuring data, and can efficiently reduce the ‘soft field’ effect of the ET imaging process. In light of the data decomposition method, a new linear back projection algorithm is proposed to improve the spatial resolution of the ET image. A series of simulations and experiments are applied to validate the proposed algorithm by the real-time performances and the progress of spatial resolutions. (paper)

  9. UV-CD12: synchrotron radiation circular dichroism beamline at ANKA

    International Nuclear Information System (INIS)

    Bürck, Jochen; Roth, Siegmar; Windisch, Dirk; Wadhwani, Parvesh; Moss, David; Ulrich, Anne S.

    2015-01-01

    UV-CD12 at ANKA and its current end-station are described, with a standard module for vacuum-UV synchrotron radiation circular dichroism of bio-macromolecules in the liquid state, and a unique module for macroscopically oriented lipid membranes (oriented circular dichroism). Synchrotron radiation circular dichroism (SRCD) is a rapidly growing technique for structure analysis of proteins and other chiral biomaterials. UV-CD12 is a high-flux SRCD beamline installed at the ANKA synchrotron, to which it had been transferred after the closure of the SRS Daresbury. The beamline covers an extended vacuum-UV to near-UV spectral range and has been open for users since October 2011. The current end-station allows for temperature-controlled steady-state SRCD spectroscopy, including routine automated thermal scans of microlitre volumes of water-soluble proteins down to 170 nm. It offers an excellent signal-to-noise ratio over the whole accessible spectral range. The technique of oriented circular dichroism (OCD) was recently implemented for determining the membrane alignment of α-helical peptides and proteins in macroscopically oriented lipid bilayers as mimics of cellular membranes. It offers improved spectral quality <200 nm compared with an OCD setup adapted to a bench-top instrument, and accelerated data collection by a factor of ∼3. In addition, it permits investigations of low hydrated protein films down to 130 nm using a rotatable sample cell that avoids linear dichroism artifacts

  10. Analysis of the reactive power consumption and the harmonics in the network by the non-linear electrical loads

    Energy Technology Data Exchange (ETDEWEB)

    Cogo, Joao Roberto [Escola Federal de Engenharia de Itajuba, MG (Brazil)

    1994-12-31

    The non linear electrical loads can give rise to a number of disturbances in electrical power networks. Among them, the high consumption of relative power is to be noted and so is the several harmonic components which may be injected in the industry system and very often in the utility system. So, by using appropriate technical considerations, as well as measurements in typical special electrical loads, such negative effects are analyzed and ways of minimizing them are suggested. (author) 3 refs., 11 figs., 6 tabs.

  11. Linear instabilities of a planar liquid sheet in a static electric field for intermediate relaxation and convection of surface charges

    Science.gov (United States)

    Yoshinaga, Takao

    2018-04-01

    Linear temporal instabilities of a two-dimensional planar liquid sheet in a static electric field are investigated when the relaxation and convection of surface electric charges are considered. Both viscous sheet liquid and inviscid surrounding liquid are placed between two parallel sheath walls, on which an external electric field is imposed. In particular, effects of the electric Peclet number {Pe} (charge relaxation time/convection time) and the electric Euler number Λ (electric pressure/liquid inertial) on the instabilities are emphasized for the symmetric and antisymmetric deformations of the sheet. It is found that the unstable mode is composed of the aerodynamic and electric modes, which are merged with each other for the symmetric deformation and separated for the antisymmetric deformation. For the symmetric deformation, the combined mode is more destabilized with the decrease of {Pe} and the increase of Λ. On the other hand, for the antisymmetric deformation, the electric mode is more destabilized and the aerodynamic mode is left unchanged with the decrease of {Pe}, while the electric mode is more destabilized but the aerodynamic mode is more stabilized with the increase of Λ. It is also found for both symmetric and antisymmetric deformations that the instabilities are most suppressed when {σ }R≃ 1/{ε }P ({σ }R: conductivity ratio of the surrounding to the sheet liquid, {ε }P: permittivity ratio of the sheet to the surrounding liquid), whose trend of the instabilities is more enhanced with the decrease of {Pe} except for vanishingly small {Pe}.

  12. Numerical implementation of magneto-acousto-electrical tomography (MAET) using a linear phased array transducer

    Science.gov (United States)

    Soner Gözü, Mehmet; Zengin, Reyhan; Güneri Gençer, Nevzat

    2018-02-01

    In this study, the performance and implementation of magneto-acousto-electrical tomography (MAET) is investigated using a linear phased array (LPA) transducer. The goal of MAET is to image the conductivity distribution in biological bodies. It uses the interaction between ultrasound and a static magnetic field to generate velocity current density distribution inside the body. The resultant voltage due to velocity current density is sensed by surface electrodes attached on the body. In this study, the theory of MAET is reviewed. A 16-element LPA transducer with 1 MHz excitation frequency is used to provide beam directivity and steerability of acoustic waves. Different two-dimensional numerical models of breast and tumour are formed to analyze the multiphysics problem coupled with acoustics and electromagnetic fields. In these models, velocity current density distributions are obtained for pulse type ultrasound excitations. The static magnetic field is assumed as 1 T. To sense the resultant voltage caused by the velocity current density, it is assumed that two electrodes are attached on the surface of the body. The performance of MAET is shown through sensitivity matrix analysis. The sensitivity matrix is obtained for two transducer positions with 13 steering angles between -30\\circ to 30\\circ with 5\\circ angular intervals. For the reconstruction of the images, truncated singular value decomposition method is used with different signal-to-noise ratio (SNR) values (20 dB, 40 dB, 60 dB and 80 dB). The resultant images show that the perturbation (5 mm  ×  5 mm) placed 35 mm depth can be detected even if the SNR is 20 dB.

  13. Influence of the linear magneto-electric effect on the lateral shift of light reflected from a magneto-electric film

    International Nuclear Information System (INIS)

    Dadoenkova, Yu S; Petrov, R V; Bichurin, M I; Bentivegna, F F L; Dadoenkova, N N; Lyubchanskii, I L

    2016-01-01

    We present a theoretical investigation of the lateral shift of an infrared light beam reflected from a magnetic film deposited on a non-magnetic dielectric substrate, taking into account the linear magneto-electric interaction in the magnetic film. We use the stationary phase method to evaluate the lateral shift. It is shown that the magneto-electric coupling leads to a six-fold enhancement of the lateral shift amplitude of a p-(s-) polarized incident beam reflected into a s-(p-) polarized beam. A reversal of the magnetization in the film leads to a nonreciprocal sign change of the lateral shift. (paper)

  14. Influence of the linear magneto-electric effect on the lateral shift of light reflected from a magneto-electric film

    Science.gov (United States)

    Dadoenkova, Yu S.; Bentivegna, F. F. L.; Dadoenkova, N. N.; Petrov, R. V.; Lyubchanskii, I. L.; Bichurin, M. I.

    2016-08-01

    We present a theoretical investigation of the lateral shift of an infrared light beam reflected from a magnetic film deposited on a non-magnetic dielectric substrate, taking into account the linear magneto-electric interaction in the magnetic film. We use the stationary phase method to evaluate the lateral shift. It is shown that the magneto-electric coupling leads to a six-fold enhancement of the lateral shift amplitude of a p-(s-) polarized incident beam reflected into a s-(p-) polarized beam. A reversal of the magnetization in the film leads to a nonreciprocal sign change of the lateral shift.

  15. Localized enhancement of electric field in tip-enhanced Raman spectroscopy using radially and linearly polarized light.

    Science.gov (United States)

    Kazemi-Zanjani, Nastaran; Vedraine, Sylvain; Lagugné-Labarthet, François

    2013-10-21

    Finite-Difference Time-Domain (FDTD) calculations are used to characterize the electric field in the vicinity of a sharp silver or gold cone with an apex diameter of 10 nm. The simulations are utilized to predict the intensity and the distribution of the locally enhanced electric field in tip-enhanced Raman spectroscopy (TERS). A side-by-side comparison of the enhanced electric field induced by a radially and a linearly polarized light in both gap-mode and conventional TERS setup is performed. For this purpose, a radially polarized source is introduced and integrated into the FDTD modeling. Additionally, the optical effect of a thin protective layer of alumina on the enhancement of the electric field is investigated.

  16. Theoretical prediction of electrocaloric effect based on non-linear behaviors of dielectric permittivity under temperature and electric fields

    Directory of Open Access Journals (Sweden)

    Hongbo Liu

    2015-11-01

    Full Text Available The electrocaloric (EC effect has been paid great attentions recently for applications on cooling or electricity generation. However, the directly commercial measurement equipment for the effect is still unavailable. Here we report a novel method to predict EC effect by non-linear behaviors of dielectric permittivity under temperature and electric fields. According to the method, the analytical equations of EC temperature change ΔT are directly given for normal ferroelectrics and relaxor. The calculations have been performed on several materials and it is shown that the method is suitable for both inorganic and organic ferroelectrics, and relaxor.

  17. Linearized Model of Electrical Arc Furnace Suitable for Analysis of Flicker Mitigation

    Czech Academy of Sciences Publication Activity Database

    Valouch, Viktor

    2003-01-01

    Roč. 48, č. 2 (2003), s. 147-156 ISSN 0001-7043 R&D Projects: GA AV ČR IAA2057301 Institutional research plan: CEZ:AV0Z2057903 Keywords : flicker * electrical arc furnace * unified power quality conditioner Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  18. Porphyrin Protonation Studied by Magnetic Circular Dichroism

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, Petr; Andrushchenko, Valery; Ruud, K.; Bouř, Petr

    2012-01-01

    Roč. 116, č. 1 (2012), s. 778-783 ISSN 1089-5639 R&D Projects: GA ČR GAP208/11/0105; GA ČR GA203/09/2037; GA ČR GAP208/10/0559; GA MŠk(CZ) LH11033 Institutional research plan: CEZ:AV0Z40550506 Keywords : magnetic circular dichroism (MCD) * TPPS * spectra simulations * porphyrin protonation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.771, year: 2012

  19. Stable Operation and Electricity Generating Characteristics of a Single-Cylinder Free Piston Engine Linear Generator: Simulation and Experiments

    Directory of Open Access Journals (Sweden)

    Huihua Feng

    2015-01-01

    Full Text Available We present a novel design of a single-cylinder free piston engine linear generator (FPELG incorporating a linear motor as a rebound device. A systematic simulation model of this FPELG system was built containing a kinematic and dynamic model of the piston and mover, a magneto-electric model of the linear generator, a thermodynamic model of the single-cylinder engine, and a friction model between the piston ring and cylinder liner. Simulations were performed to understand the relationships between pre-set motor parameters and the running performance of the FPELG. From the simulation results, it was found that a motor rebound force with a parabolic profile had clear advantages over a force with a triangular profile, such as a higher running frequency and peak cylinder pressure, faster piston motion, etc. The rebound position and the amplitude of rebound force were also determined by simulations. The energy conversion characteristics of the generator were obtained from our FPELG test rig. The parameters of intake pressure, motor frequency, and load resistance were varied over certain ranges, and relationships among these three parameters were obtained. The electricity-generating characteristic parameters include output power and system efficiency, which can measure the quality of matching the controllable parameters. The output power can reach 25.9 W and the system efficiency can reach 13.7%. The results in terms of matching parameters and electricity-generating characteristics should be useful to future research in adapting these engines to various operating modes.

  20. A novel methodology for non-linear system identification of battery cells used in non-road hybrid electric vehicles

    Science.gov (United States)

    Unger, Johannes; Hametner, Christoph; Jakubek, Stefan; Quasthoff, Marcus

    2014-12-01

    An accurate state of charge (SoC) estimation of a traction battery in hybrid electric non-road vehicles, which possess higher dynamics and power densities than on-road vehicles, requires a precise battery cell terminal voltage model. This paper presents a novel methodology for non-linear system identification of battery cells to obtain precise battery models. The methodology comprises the architecture of local model networks (LMN) and optimal model based design of experiments (DoE). Three main novelties are proposed: 1) Optimal model based DoE, which aims to high dynamically excite the battery cells at load ranges frequently used in operation. 2) The integration of corresponding inputs in the LMN to regard the non-linearities SoC, relaxation, hysteresis as well as temperature effects. 3) Enhancements to the local linear model tree (LOLIMOT) construction algorithm, to achieve a physical appropriate interpretation of the LMN. The framework is applicable for different battery cell chemistries and different temperatures, and is real time capable, which is shown on an industrial PC. The accuracy of the obtained non-linear battery model is demonstrated on cells with different chemistries and temperatures. The results show significant improvement due to optimal experiment design and integration of the battery non-linearities within the LMN structure.

  1. Electric light scattering from single-stranded DNA in linear polyacrylamide solutions.

    Science.gov (United States)

    Todorov, R; Starchev, K; Stoylov, S P

    2001-01-01

    The electric light scattering (ELS) of ssDNA (calf thymus, 10 kbp, 55 micrograms/mL) in denaturing polyacrylamide (PAA) solutions was studied as a function of applied sinusoidal electric field and polymer concentration. Electric fields of strengths up to 300 V/cm and of frequencies between 100 and 5000 Hz were applied. It was found that the ELS effect increases with the field strength and decreases at high frequencies. The dependence of the ELS effect of ssDNA on polymer concentration passes through a maximum at 1% PAA. The relaxation times of decay of the ELS effect increase with increasing polymer concentrations. It was demonstrated that ELS is a useful method for investigation of ssDNA behavior in the course of pulse-field electrophoresis in polymer solutions.

  2. Forecasting electricity spot-prices using linear univariate time-series models

    International Nuclear Information System (INIS)

    Cuaresma, Jesus Crespo; Hlouskova, Jaroslava; Kossmeier, Stephan; Obersteiner, Michael

    2004-01-01

    This paper studies the forecasting abilities of a battery of univariate models on hourly electricity spot prices, using data from the Leipzig Power Exchange. The specifications studied include autoregressive models, autoregressive-moving average models and unobserved component models. The results show that specifications, where each hour of the day is modelled separately present uniformly better forecasting properties than specifications for the whole time-series, and that the inclusion of simple probabilistic processes for the arrival of extreme price events can lead to improvements in the forecasting abilities of univariate models for electricity spot prices. (Author)

  3. On a non-linear problem posed by the temperature determination in an electrically heated plate

    International Nuclear Information System (INIS)

    Gerber, R.

    1958-01-01

    Let us consider a flat plate, electrically heated, with one face thermally insulated and the other face isothermal. It is shown that a two-dimensional perturbation of the insulated face has no influence on the temperature of this face. (author) [fr

  4. STRONG MAGNETIC-X-RAY DICHROISM IN 2P ABSORPTION-SPECTRA OF 3D TRANSITION-METAL IONS

    NARCIS (Netherlands)

    VANDERLAAN, G; THOLE, BT

    1991-01-01

    From atomic calculations in crystal-field symmetry we find a very strong circular and linear dichroism in the 2p x-ray absorption edges of magnetically ordered 3d transition-metal ions. The spectral shape changes drastically with the character of the ground state, which is determined by the presence

  5. A multi-component nanocomposite screen-printed ink with non-linear touch sensitive electrical conductivity

    International Nuclear Information System (INIS)

    Webb, Alexander J; Szablewski, Marek; Bloor, David; Atkinson, Del; Graham, Adam; Laughlin, Paul; Lussey, David

    2013-01-01

    Printable electronics is an innovative area of technology with great commercial potential. Here, a screen-printed functional ink, comprising a combination of semiconducting acicular particles, electrically insulating nanoparticles and a base polymer ink, is described that exhibits pronounced pressure sensitive electrical properties for applications in sensing and touch sensitive surfaces. The combination of these components in the as-printed ink yield a complex structure and a large and reproducible touch pressure sensitive resistance range. In contrast to the case for some composite systems, the resistance changes occur down to applied pressures of 13 Pa. Current–voltage measurements at fixed pressures show monotonic non-linear behaviour, which becomes more Ohmic at higher pressures and in all cases shows some hysteresis. The physical basis for conduction, particularly in the low pressure regime, can be described in terms of field assisted quantum mechanical tunnelling. (paper)

  6. A multi-component nanocomposite screen-printed ink with non-linear touch sensitive electrical conductivity.

    Science.gov (United States)

    Webb, Alexander J; Szablewski, Marek; Bloor, David; Atkinson, Del; Graham, Adam; Laughlin, Paul; Lussey, David

    2013-04-26

    Printable electronics is an innovative area of technology with great commercial potential. Here, a screen-printed functional ink, comprising a combination of semiconducting acicular particles, electrically insulating nanoparticles and a base polymer ink, is described that exhibits pronounced pressure sensitive electrical properties for applications in sensing and touch sensitive surfaces. The combination of these components in the as-printed ink yield a complex structure and a large and reproducible touch pressure sensitive resistance range. In contrast to the case for some composite systems, the resistance changes occur down to applied pressures of 13 Pa. Current-voltage measurements at fixed pressures show monotonic non-linear behaviour, which becomes more Ohmic at higher pressures and in all cases shows some hysteresis. The physical basis for conduction, particularly in the low pressure regime, can be described in terms of field assisted quantum mechanical tunnelling.

  7. A multi-component nanocomposite screen-printed ink with non-linear touch sensitive electrical conductivity

    Science.gov (United States)

    Webb, Alexander J.; Szablewski, Marek; Bloor, David; Atkinson, Del; Graham, Adam; Laughlin, Paul; Lussey, David

    2013-04-01

    Printable electronics is an innovative area of technology with great commercial potential. Here, a screen-printed functional ink, comprising a combination of semiconducting acicular particles, electrically insulating nanoparticles and a base polymer ink, is described that exhibits pronounced pressure sensitive electrical properties for applications in sensing and touch sensitive surfaces. The combination of these components in the as-printed ink yield a complex structure and a large and reproducible touch pressure sensitive resistance range. In contrast to the case for some composite systems, the resistance changes occur down to applied pressures of 13 Pa. Current-voltage measurements at fixed pressures show monotonic non-linear behaviour, which becomes more Ohmic at higher pressures and in all cases shows some hysteresis. The physical basis for conduction, particularly in the low pressure regime, can be described in terms of field assisted quantum mechanical tunnelling.

  8. PCDDB: the Protein Circular Dichroism Data Bank, a repository for circular dichroism spectral and metadata.

    Science.gov (United States)

    Whitmore, Lee; Woollett, Benjamin; Miles, Andrew John; Klose, D P; Janes, Robert W; Wallace, B A

    2011-01-01

    The Protein Circular Dichroism Data Bank (PCDDB) is a public repository that archives and freely distributes circular dichroism (CD) and synchrotron radiation CD (SRCD) spectral data and their associated experimental metadata. All entries undergo validation and curation procedures to ensure completeness, consistency and quality of the data included. A web-based interface enables users to browse and query sample types, sample conditions, experimental parameters and provides spectra in both graphical display format and as downloadable text files. The entries are linked, when appropriate, to primary sequence (UniProt) and structural (PDB) databases, as well as to secondary databases such as the Enzyme Commission functional classification database and the CATH fold classification database, as well as to literature citations. The PCDDB is available at: http://pcddb.cryst.bbk.ac.uk.

  9. Mathematical Model for Electric Field Sensor Based on Whispering Gallery Modes Using Navier’s Equation for Linear Elasticity

    Directory of Open Access Journals (Sweden)

    Amir R. Ali

    2017-01-01

    Full Text Available This paper presents and verifies the mathematical model of an electric field senor based on the whispering gallery mode (WGM. The sensing element is a dielectric microsphere, where the light is used to tune the optical modes of the microsphere. The light undergoes total internal reflection along the circumference of the sphere; then it experiences optical resonance. The WGM are monitored as sharp dips on the transmission spectrum. These modes are very sensitive to morphology changes of the sphere, such that, for every minute change in the sphere’s morphology, a shift in the transmission spectrum will happen and that is known as WGM shifts. Due to the electrostriction effect, the applied electric field will induce forces acting on the surface of the dielectric sphere. In turn, these forces will deform the sphere causing shifts in its WGM spectrum. The applied electric field can be obtained by calculating these shifts. Navier’s equation for linear elasticity is used to model the deformation of the sphere to find the WGM shift. The finite element numerical studies are performed to verify the introduced model and to study the behavior of the sensor at different values of microspheres’ Young’s modulus and dielectric constant. Furthermore, the sensitivity and resolution of the developed WGM electric filed sensor model will be presented in this paper.

  10. Heat conduction coefficient and coefficient of linear thermal expansion of electric insulation materials for superconducting magnetic system

    International Nuclear Information System (INIS)

    Deev, V.I.; Sobolev, V.P.; Kruglov, A.B.; Pridantsev, A.I.

    1984-01-01

    Results of experimental investigation of heat conduction coefficient and coefficient of linear thermal expansion and thermal shrinkages of the STEF-1 textolite-glass widely used in superconducting magnetic systems as electric insulating and structural material are presented. Samples of two types have been died: sample axisa is perpendicular to a plae of fiberglass layers ad sample axis is parallel to a plane of fiberglass layers. Heat conduction coefficient was decreased almost a five times with temperature decrease from 300 up to 5K and was slightly dependent on a sample type. Temperature variation of linear dimensions in a sample of the first type occurs in twice as fast as compared to the sample of the second type

  11. The development and testing of a linear induction motor being fed from the source with limited electric power

    Science.gov (United States)

    Tiunov, V. V.

    2018-02-01

    The report provides results of the research related to the tubular linear induction motors’ application. The motors’ design features, a calculation model, a description of test specimens for mining and electric power industry are introduced. The most attention is given to the single-phase motors for high voltage switches drives with the usage of inexpensive standard single-phase transformers for motors’ power supply. The method of the motor’s parameters determination, when the motor is being fed from the transformer, working in the overload mode, was described, and the results of it practical usage were good enough for the engineering practice.

  12. Molding of plasmonic resonances in metallic nanostructures: Dependence of the non-linear electric permittivity on system size and temperature

    KAUST Repository

    Alabastri, A.

    2013-10-25

    In this paper, we review the principal theoretical models through which the dielectric function of metals can be described. Starting from the Drude assumptions for intraband transitions, we show how this model can be improved by including interband absorption and temperature effect in the damping coefficients. Electronic scattering processes are described and included in the dielectric function, showing their role in determining plasmon lifetime at resonance. Relationships among permittivity, electric conductivity and refractive index are examined. Finally, a temperature dependent permittivity model is presented and is employed to predict temperature and non-linear field intensity dependence on commonly used plasmonic geometries, such as nanospheres. 2013 by the authors; licensee MDPI, Basel, Switzerland.

  13. Linear Response of Field-Aligned Currents to the Interplanetary Electric Field

    DEFF Research Database (Denmark)

    Weimer, D. R.; R. Edwards, T.; Olsen, Nils

    2017-01-01

    Many studies that have shown that the ionospheric, polar cap electric potentials (PCEP) exhibit a “saturation” behavior in response to the level of the driving by the solar wind. As the magnitude of the interplanetary magnetic field (IMF) and electric field (IEF) increase, the PCEP response...... of the field-aligned currents (FAC) with the solar wind/magnetosphere/ionosphere system has a role. As the FAC are more difficult to measure, their behavior in response to the level of the IEF has not been investigated as thoroughly. In order to resolve the question of whether or not the FAC also exhibit...... saturation, we have processed the magnetic field measurements from the Ørsted, CHAMP, and Swarm missions, spanning more than a decade. As the amount of current in each region needs to be known, a new technique is used to separate and sum the current by region, widely known as R0, R1, and R2. These totals...

  14. Dynamic Range Enhancement of High-Speed Electrical Signal Data via Non-Linear Compression

    Science.gov (United States)

    Laun, Matthew C. (Inventor)

    2016-01-01

    Systems and methods for high-speed compression of dynamic electrical signal waveforms to extend the measuring capabilities of conventional measuring devices such as oscilloscopes and high-speed data acquisition systems are discussed. Transfer function components and algorithmic transfer functions can be used to accurately measure signals that are within the frequency bandwidth but beyond the voltage range and voltage resolution capabilities of the measuring device.

  15. Nonreciprocal electrical transport phenomena in Rashba system

    Science.gov (United States)

    Hamamoto, Keita; Ideue, Toshiya; Koshikawa, Shota; Ezawa, Motohiko; Shimizu, Sunao; Kaneko, Yoshio; Tokura, Yoshinori; Nagaosa, Naoto; Iwasa, Yoshinori

    Nonreciprocal response is a consequence of the inversion symmetry breaking where lots of physical responses have directivity. This is essentially a non-linear response like a circular dichroism and second harmonic generation in non-linear optics. The electrical resistivity, which is the most fundamental physical property of materials, also shows the nonreciprocity; the resistivity depends on the direction of the current. In this study, we have investigated the nonreciprocal electrical transport in polar semiconductor BiTeBr which has simple Rashba-type band structure. The measured nonreciprocity for this material is quantitatively reproduced by simple model; single relaxation time Boltzmann equation for Rashba Hamiltonian with in-plane Zeeman field. In this presentation, we explain mainly about the theoretical model and the analysis of the nonreciprocal electrical transport.

  16. Theory of Anisotropic Circular Dichroism of Excitonically Coupled Systems: Application to the Baseplate of Green Sulfur Bacteria.

    Science.gov (United States)

    Lindorfer, Dominik; Renger, Thomas

    2018-03-02

    A simple exciton theory for the description of anisotropic circular dichroism (ACD) spectra of multichromophoric systems is presented that is expected to be of general use for the analysis of structure-function relationships of molecular aggregates such as photosynthetic light-harvesting antennae. The theory is applied to the baseplate of green sulfur bacteria. It is demonstrated that only the combined analysis of ACD and circular dichroism (CD) spectra for the present baseplate bacteriochlorophyll (BChl) a dimer allows for an unambiguous determination of the parameters of the exciton Hamiltonian from experimental data. The analysis of experimental absorption and linear dichroism spectra suggests that either the NMR structure has to be refined or in addition to the dimers seen in the NMR structure and in the CD and ACD spectra, BChl a monomers are present in the baseplate carotenosome sample. A refined dimer structure is presented, explaining all four optical spectra.

  17. Cogging Force Issues of Permanent Magnet Linear Generator for Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Izzeldin Idris Abdalla

    2017-09-01

    Full Text Available Alternatives to hydraulic drives that used on vehicles are necessary in order to reduce the Carbon dioxide (CO2 emission and oil consumption. Hence better performance and efficiency of the vehicles can be achieved by using free piston engine, in which the piston reciprocate linearly with a permanent magnet linear generator (PMLG without the need of a crankshaft. The PMLG has high performance, but suffering from the cogging force. The cogging force induces undesired vibration and acoustic noise and makes a ripple in the thrust force. Moreover, the cogging force deteriorates the control characteristics, particularly in terms of the position control and speed precisely. This paper proposes Somaloy to replace the laminated silicon steel sheets in order to reduce the cogging force in a PMLG. Through a finite-element analysis, it has been shown that, the stator core made of Somaloy minimizes the cogging force of the PMLG, moreover, giving larger flux-linkage and back-electromotive force (B-EMF, respectively.

  18. Volume conduction and EEG measurements within the brain: A quantitative approach to the influence of electrical spread on the linear relationship of activity measured at different locations

    NARCIS (Netherlands)

    Holsheimer, J.; Feenstra, B.W.A.

    1977-01-01

    When recording referentially brain field potentials with several electrodes at relatively small tip separations, a linear relationship between the simultaneously recorded signals may arise solely as a result of volume conduction (electrical spread). A method is described to quantify the linear

  19. Torque linearizing hardware for the electric joint motors of a direct-drive robot

    Science.gov (United States)

    Muir, P. F.; Bryan, J. R.

    Many emerging high-performance robot control algorithms require the command of the joint torques, yet no known commercial robots provide such a capability. We describe the design, development, testing, and application of a VMEbus-based torque linearizing joint interface board (JIB). One JIB resides between the robot control processor and each joint motor amplifier. The JIB provides the control processor with the capability to read the motor position and apply accurate motor torques. The torque command capability derives from the application of a 128k x 8 EPROM lookup table for each motor phase. Because joint motor torque is dependent upon the torque command and the motor position, the hardware is designed to utilize the torque command and the current motor position as the address to retrieve the proper pulse-width for the PWM motor amplifier. The table look-up cycle operates independently of the robot controller at a 40KHz rate to provide constant joint torque as the motor rotates. We identify the proper table entries by an automated in situ data collection procedure. Static torque generation results show that the torque deviations are reduced from as much as 76 percent to below 5 percent for each of the three direct-drive motors (two are variable reluctance motors and one is brushless DC) on an AdeptTwo robot. These torque deviations are reduced below 2.5 percent if only the upper 90 percent of the torque range is considered. The torque deviations of the non-direct-drive joint are reduced by 50 percent. Dynamic robot edge following experiments show that the robot speed of operation can be more than doubled for a given applied force accuracy by utilizing the joint torque linearizing boards.

  20. Force, torque, linear momentum, and angular momentum in classical electr odynamics

    Science.gov (United States)

    Mansuripur, Masud

    2017-10-01

    The classical theory of electrodynamics is built upon Maxwell's equations and the concepts of electromagnetic (EM) field, force, energy, and momentum, which are intimately tied together by Poynting's theorem and by the Lorentz force law. Whereas Maxwell's equations relate the fields to their material sources, Poynting's theorem governs the flow of EM energy and its exchange between fields and material media, while the Lorentz law regulates the back-and-forth transfer of momentum between the media and the fields. An alternative force law, first proposed by Einstein and Laub, exists that is consistent with Maxwell's equations and complies with the conservation laws as well as with the requirements of special relativity. While the Lorentz law requires the introduction of hidden energy and hidden momentum in situations where an electric field acts on a magnetized medium, the Einstein-Laub (E-L) formulation of EM force and torque does not invoke hidden entities under such circumstances. Moreover, total force/torque exerted by EM fields on any given object turns out to be independent of whether the density of force/torque is evaluated using the law of Lorentz or that of Einstein and Laub. Hidden entities aside, the two formulations differ only in their predicted force and torque distributions inside matter. Such differences in distribution are occasionally measurable, and could serve as a guide in deciding which formulation, if either, corresponds to physical reality.

  1. Circular dichroism beamline B23 at the Diamond Light Source.

    Science.gov (United States)

    Hussain, Rohanah; Jávorfi, Tamás; Siligardi, Giuliano

    2012-01-01

    Synchrotron radiation circular dichroism (SRCD) is a well established technique in structural biology. The first UV-VIS beamline, dedicated to circular dichroism, at Diamond Light Source Ltd, a third-generation synchrotron facility in south Oxfordshire, UK, has recently become operational and it is now available for the user community. Herein the main characteristics of the B23 SRCD beamline, the ancillary facilities available for users, and some of the recent advances achieved are summarized.

  2. Chirotopical properties of cisoid enones from circular dichroism (CD) and anisotropic circular dichroism (ACD) spectroscopy.

    Science.gov (United States)

    Frelek, Jadwiga; Szczepek, Wojciech J; Neubrech, Stephan; Schultheis, Bernd; Brechtel, Joachim; Kuball, Hans-Georg

    2002-04-15

    Substituted cisoid 4-en-6-one steroids with isotropically distributed and partially oriented molecules were analyzed by circular dichroism (CD) and anisotropic circular dichroism (ACD) spectroscopy, respectively. CD and ACD data supplement their respective phenomenological information. For a series of C3-substituted enones 1 to 7, the difference of CD (Delta epsilon) and ACD (Delta epsilon(A)) values, that is, Delta epsilon -Delta epsilon(A), vary in the n-* transition region in the same direction, independently of the nature and position (3 alpha or 3 beta) of the substituent. For 7-bromo-substituted enones 5 and 6 the sign of the n-pi* CD band is opposite to that predicted by the enone helicity rule. The ACD data indicate that this behavior is a consequence of the effect of vibronic coupling caused by the 7-bromo substituent. In contrast to the results obtained for the series of C7-unsubstituted compounds 1 to 4, the intensity of the CD bands for 5 and 6 is determined by the vibrational progressions of a different symmetry. Therefore, the helicity rule must fail in both cases because the rule can only be applied to those vibrational transitions for which the rule was developed. The sign of the coordinates Delta epsilon(*)(II), estimated from the ACD data, yields additional stereochemical information that cannot be obtained from the CD data alone. The CD and ACD spectra in the region of the pi-pi* transition vary for enones 1 to 4 in a different fashion and indicate dependence upon spatial orientation (3 alpha or 3 beta) of substituents. This dependence may lead to the possibility of extracting additional stereochemical information from the ACD spectra. Furthermore, the experimental findings indicate that the second CD band located at about 220 nm belongs to a forbidden transition and not to an allowed pi-pi* transition.

  3. Dynamic modeling and simulation of an induction motor with adaptive backstepping design of an input-output feedback linearization controller in series hybrid electric vehicle

    Directory of Open Access Journals (Sweden)

    Jalalifar Mehran

    2007-01-01

    Full Text Available In this paper using adaptive backstepping approach an adaptive rotor flux observer which provides stator and rotor resistances estimation simultaneously for induction motor used in series hybrid electric vehicle is proposed. The controller of induction motor (IM is designed based on input-output feedback linearization technique. Combining this controller with adaptive backstepping observer the system is robust against rotor and stator resistances uncertainties. In additional, mechanical components of a hybrid electric vehicle are called from the Advanced Vehicle Simulator Software Library and then linked with the electric motor. Finally, a typical series hybrid electric vehicle is modeled and investigated. Various tests, such as acceleration traversing ramp, and fuel consumption and emission are performed on the proposed model of a series hybrid vehicle. Computer simulation results obtained, confirm the validity and performance of the proposed IM control approach using for series hybrid electric vehicle.

  4. The effect of linear spring number at side load of McPherson suspension in electric city car

    Science.gov (United States)

    Budi, Sigit Setijo; Suprihadi, Agus; Makhrojan, Agus; Ismail, Rifky; Jamari, J.

    2017-01-01

    The function of the spring suspension on Mc Pherson type is to control vehicle stability and increase ride convenience although having tendencies of side load presence. The purpose of this study is to obtain simulation results of Mc Pherson suspension spring in the electric city car by using the finite element method and determining the side load that appears on the spring suspension. This research is conducted in several stages; they are linear spring designing models with various spring coil and spring suspension modeling using FEM software. Suspension spring is compressed in the vertical direction (z-axis) and at the upper part of the suspension springs will be seen the force that arises towards the x, y, and z-axis to simulate the side load arising on the upper part of the spring. The results of FEM simulation that the side load on the spring toward the x and y-axis which the value gets close to zero is the most stable spring.

  5. Linear Extended State Observer-Based Motion Synchronization Control for Hybrid Actuation System of More Electric Aircraft

    Directory of Open Access Journals (Sweden)

    Xingjian Wang

    2017-10-01

    Full Text Available Moving towards the more electric aircraft (MEA, a hybrid actuator configuration provides an opportunity to introduce electromechanical actuator (EMA into primary flight control. In the hybrid actuation system (HAS, an electro-hydraulic servo actuator (EHSA and an EMA operate on the same control surface. In order to solve force fighting problem in HAS, this paper proposes a novel linear extended state observer (LESO-based motion synchronization control method. To cope with the problem of unavailability of the state signals required by the motion synchronization controller, LESO is designed for EHSA and EMA to observe the state variables. Based on the observed states of LESO, motion synchronization controllers could enable EHSA and EMA to simultaneously track the desired motion trajectories. Additionally, nonlinearities, uncertainties and unknown disturbances as well as the coupling term between EHSA and EMA can be estimated and compensated by using the extended state of the proposed LESO. Finally, comparative simulation results indicate that the proposed LESO-based motion synchronization controller could reduce significant force fighting between EHSA and EMA.

  6. Comparison of methods for optimal choice of the regularization parameter for linear electrical impedance tomography of brain function.

    Science.gov (United States)

    Abascal, Juan-Felipe P J; Arridge, Simon R; Bayford, Richard H; Holder, David S

    2008-11-01

    Electrical impedance tomography has the potential to provide a portable non-invasive method for imaging brain function. Clinical data collection has largely been undertaken with time difference data and linear image reconstruction methods. The purpose of this work was to determine the best method for selecting the regularization parameter of the inverse procedure, using the specific application of evoked brain activity in neonatal babies as an exemplar. The solution error norm and image SNR for the L-curve (LC), discrepancy principle (DP), generalized cross validation (GCV) and unbiased predictive risk estimator (UPRE) selection methods were evaluated in simulated data using an anatomically accurate finite element method (FEM) of the neonatal head and impedance changes due to blood flow in the visual cortex recorded in vivo. For simulated data, LC, GCV and UPRE were equally best. In human data in four neonatal infants, no significant differences were found among selection methods. We recommend that GCV or LC be employed for reconstruction of human neonatal images, as UPRE requires an empirical estimate of the noise variance.

  7. Intensity- and Duration-Adaptive Functional Electrical Stimulation Using Fuzzy Logic Control and a Linear Model for Dropfoot Correction

    Directory of Open Access Journals (Sweden)

    Guangtao Chen

    2018-03-01

    Full Text Available Functional electrical stimulation (FES is important in gait rehabilitation for patients with dropfoot. Since there are time-varying velocities during FES-assisted walking, it is difficult to achieve a good movement performance during walking. To account for the time-varying walking velocities, seven poststroke subjects were recruited and fuzzy logic control and a linear model were applied in FES-assisted walking to enable intensity- and duration-adaptive stimulation (IDAS for poststroke subjects with dropfoot. In this study, the performance of IDAS was evaluated using kinematic data, and was compared with the performance under no stimulation (NS, FES-assisted walking triggered by heel-off stimulation (HOS, and speed-adaptive stimulation. A larger maximum ankle dorsiflexion angle in the IDAS condition than those in other conditions was observed. The ankle plantar flexion angle in the IDAS condition was similar to that of normal walking. Improvement in the maximum ankle dorsiflexion and plantar flexion angles in the IDAS condition could be attributed to having the appropriate stimulation intensity and duration. In summary, the intensity- and duration-adaptive controller can attain better movement performance and may have great potential in future clinical applications.

  8. An efficient linear approach in the reservoirs operation for electric power generation; Uma eficiente abordagem linear na operacao de reservatorios para geracao de energia eletrica

    Energy Technology Data Exchange (ETDEWEB)

    Zambon, Katia Livia

    1997-07-01

    A new approach for the Scheduling of Hydrothermal Systems, with a formulation that allows the solution of the problem through the linear programming techniques, otherwise the original form, which is complex and difficult is presented. The models were developed through a linear form for the generation function of hydroelectric plants, successive of the linearization of the cost function of the problem. The linear techniques used were the Simplex Method, with some modification that is is efficient, fast and simple. The important physical aspects of the system were preserved, like the individual representation of the hydroelectric plant, the features of cost function with the exponential increase and the head effect. Besides, this formulation can lead to stochastic approaches. All the optimization methods were implemented for the solution of the problem. The performance obtained were compared with each other and with that obtained through the non linear techniques. The algorithms showed to be efficient, with good results and very near to the optimal behavior of the reservoir operation planning obtained by traditional methods. (author)

  9. Linear and non-linear impact of Internet usage and financial deepening on electricity consumption for Turkey: empirical evidence from asymmetric causality.

    Science.gov (United States)

    Faisal, Faisal; Tursoy, Turgut; Berk, Niyazi

    2018-02-09

    This study investigates the relationship between Internet usage, financial development, economic growth, capital and electricity consumption using quarterly data from 1993Q1 to 2014Q4. The integration order of the series is analysed using the structural break unit root test. The ARDL bounds test for cointegration in addition to the Bayer-Hanck (2013) combined cointegration test is applied to analyse the existence of cointegration among the variables. The study found strong evidence of a long-run relationship between the variables. The long-run results under the ARDL framework confirm the existence of an inverted U-shaped relationship between financial development and electricity consumption, not only in the long-run, but also in the short-run. The study also confirms the existence of a U-shaped relationship between Internet usage and electricity consumption; however, the effect is insignificant. Additionally, the influence of trade, capital and economic growth is examined in both the long run and short run (ARDL-ECM). Finally, the results of asymmetric causality suggest a positive shock in electricity consumption that has a positive causal impact on Internet usage. The authors recommend that the Turkish Government should direct financial institutions to moderate the investment in the ICT sector by advancing credits at lower cost for purchasing energy-efficient technologies. In doing so, the Turkish Government can increase productivity in order to achieve sustainable growth, while simultaneously reducing emissions to improve environmental quality.

  10. The protein circular dichroism data bank, a Web-based site for access to circular dichroism spectroscopic data.

    Science.gov (United States)

    Whitmore, Lee; Woollett, Benjamin; Miles, Andrew J; Janes, Robert W; Wallace, B A

    2010-10-13

    The Protein Circular Dichroism Data Bank (PCDDB) is a newly released resource for structural biology. It is a web-accessible (http://pcddb.cryst.bbk.ac.uk) data bank for circular dichroism (CD) and synchrotron radiation circular dichroism (SRCD) spectra and their associated experimental and secondary metadata, with links to protein sequence and structure data banks. It is designed to provide a public repository for CD spectroscopic data on macromolecules, to parallel the Protein Data Bank (PDB) for crystallographic, electron microscopic, and nuclear magnetic resonance spectroscopic data. Similarly to the PDB, it includes validation checking procedures to ensure good practice and the integrity of the deposited data. This paper reports on the first public release of the PCDDB, which provides access to spectral data that comprise standard reference datasets. Copyright © 2010 Elsevier Ltd. All rights reserved.

  11. A Fuzzy Linear Programming Model for Improving Productivity of Electrical Energy in Potable Water Supply Facilities (Case study: Sistan Water Supply Project

    Directory of Open Access Journals (Sweden)

    Vahid Baradaran

    2018-03-01

    Full Text Available One of the most important operational issues in urban drinking water production and distribution systems is to assign a plan for running hours of water supplying electric pumps. The cost of consuming electricity in these pumps allocates most of water and wastewater companies operational costs to itself which is dependent to their running hours. In this paper, meanwhile having a field study in Sistan rural water and wastewater company, the constraints for specifying electric pumps operational time in water supplying resources such as restrictions in fulfilling demand, supply potable water with suitable quality and uselessness of electric pumps have been identified. Due to uncertainty and fuzziness of the constraints, a linear programming model with fuzzy restrictions for determining electric pumps running hours per day is submitted with the aim to minimize electricity consumption and cost. After collecting and using required data for model, it proved that using the proposed model could reduce the costs of electrical energy and increase productivity up to 23 percent per month. The proposed mathematical fuzzy programming is able to specify electric pumps scheduling plan for water supply resources with the aim to reduce the costs of consuming energy.

  12. X-Ray Magnetic Dichroism of Antiferromagnet Fe2O3 : The Orientation of Magnetic Moments Observed by Fe 2p X-Ray Absorption Spectroscopy

    NARCIS (Netherlands)

    Kuiper, Pieter; Searle, Barry G.; Rudolf, Petra; Tjeng, L.H.; Chen, C.T.

    1993-01-01

    We report strong magnetic linear dichroism at the Fe L2,3 edge of the antiferromagnet Fe2O3 (hematite). The relative difference in absorption for light polarized parallel and perpendicular to the magnetic moment is as high as 40% at the Fe L2 edge. The spectra are in excellent agreement with

  13. Modeling magnetic circular dichroism within the polarizable embedding approach

    DEFF Research Database (Denmark)

    Nørby, Morten Steen; Coriani, Sonia; Kongsted, Jacob

    2018-01-01

    Magnetic circular dichroism (MCD) is defined as the differential absorption of left and right circularly polarized light in a sample subjected to an external magnetic field. In order to interpret the results of MCD measurements, theoretical predictions of key MCD parameters can be of utmost...... of the more conventional dielectric continuum approach. Results are presented for cytosine and hypoxanthine solvated in water....

  14. Magnetic circular dichroism of chlorofullerenes: Experimental and computational study

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, Petr; Straka, Michal; Šebestík, Jaroslav; Bouř, Petr

    2016-01-01

    Roč. 647, Mar (2016), s. 117-121 ISSN 0009-2614 R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA14-03564S Institutional support: RVO:61388963 Keywords : chlorofullerenes * magnetic circular dichroism * density functional theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.815, year: 2016

  15. X-ray magnetic dichroism in (Zn,Mn)O diluted magnetic semiconductors: First-principles calculations

    Science.gov (United States)

    Antonov, V. N.; Bekenov, L. V.; Mazur, D. V.; Germash, L. P.

    2012-06-01

    The electronic structure of (Zn,Mn)O diluted magnetic semiconductors was investigated theoretically from first principles by using the fully-relativistic Dirac linear muffin-tin orbital band structure method with the local spin-density approximation (LSDA) and the LSDA+ U approach. The X-ray magnetic circular dichroism (XMCD) spectra at the Mn, Zn, and O K and Mn L 2,3 edges were investigated theoretically from first principles. The origin of the XMCD spectra in these compounds was examined. The effect of oxygen vacancy atoms was found to be crucial for the X-ray magnetic dichroism at the Mn L 2,3 edges. The calculated results are compared with available experimental data.

  16. Structural characterization of chiral molecules using vibrational circular dichroism spectroscopy

    DEFF Research Database (Denmark)

    Lassen, Peter Rygaard

    2006-01-01

    chiral molecules. This project is about application of one such technique, circular dichroism (CD) spectroscopy, which measures the difference in absorption of left- and right circularly polarized light - hence the name circular dichroism. This study has focused on the infrared (IR) range because...... compounds of pharmaceutical interest. Others are transition metal complexes relevant for the search for parity-violation effects in vibrational spectroscopy (rhenium complexes), for asymmetric catalysis (Schiff-base complexes), or as model systems for metal centres in biology (Schiff-bases and heme....... Currently, only part of the enhancement can be reproduced theoretically, as demonstrated for the Schiff-bases. Their conformers and absolute configurations were also identified. As for proteins, the interpretation of their spectra is different, because the immense number of overlapping vibrational modes...

  17. Electronic and vibrational circular dichroism spectra of (R)-(-)-apomorphine

    Energy Technology Data Exchange (ETDEWEB)

    Abbate, Sergio, E-mail: abbate@med.unibs.it [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Longhi, Giovanna; Lebon, France [Dipartimento di Scienze Biomediche e Biotecnologie, Universita di Brescia, Viale Europa 11, 25123 Brescia (Italy); CNISM, Consorzio Interuniversitario Scienze Fisiche della Materia, Via della Vasca Navale 84, 00146 Roma (Italy); Tommasini, Matteo [Dipartimento di Chimica, Materiali e Ingegneria Chimica ' G. Natta' , Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Consorzio Interuniversitario per la Scienza e Tecnologia dei Materiali (INSTM), Unita di Ricerca del Politecnico di Milano (Dip. CMIC), Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2012-09-11

    Highlights: Black-Right-Pointing-Pointer ECD and VCD Spectra of (R)-(-)-apomorphine measured in various solvents. Black-Right-Pointing-Pointer DFT calculations allow to study the protonation state and conformations. Black-Right-Pointing-Pointer Contributions from catechol OH vibrations to the VCD spectra is studied. -- Abstract: Apomorphine is a chiral drug molecule; notwithstanding its extraordinary importance, little attention has been paid to the characterization of its chiroptical properties. Here we report on its electronic circular dichroism (ECD) spectra, recorded in methanol and water, and vibrational circular dichroism (VCD) in methanol and dimethyl sulfoxide (DMSO) solutions. Density functional theory (DFT) calculations have allowed us to interpret the spectra and to evaluate the role of possible conformations, charge-states and interactions with counter ions.

  18. Electricity

    Indian Academy of Sciences (India)

    AC power generation, its transmission and distribution. The well known observations made by Oersted that an electric current produces a magnetic field led a number of researchers to investigate whether the converse was true i.e. whether electric current can be produced from a magnetic field. Michael Faraday of England ...

  19. Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach

    DEFF Research Database (Denmark)

    Nørby, Morten S; Olsen, Jógvan Magnus Haugaard; Steinmann, Casper

    2017-01-01

    We present a systematic investigation of the key components needed to model single chromophore electronic circular dichroism (ECD) within the polarizable embedding (PE) approach. By relying on accurate forms of the embedding potential, where especially the inclusion of local field effects...... are in focus, we show that qualitative agreement between rotatory strength parameters calculated by full quantum mechanical calculations and the more efficient embedding calculations can be obtained. An important aspect in the computation of reliable absorption parameters is the need for conformational...

  20. Linear birefringence and optical ativity in a magnetized plasma

    International Nuclear Information System (INIS)

    Vuolo, J.H.; Galvao, R.M.O.

    1982-02-01

    Linear birefringence and optical activity are considered separately to electromagnetic wave propagation in magnetized cold plasma, using frequency approximation much bigger than plasma frequency. It's showen that in some interesting cases, those phenomena could be independents. Explicit expressions are obtained for refraction indices to linear birefringency and optical activity. The correspondents indices attenuation aRe obtained in first orden of attenuation. It's showen that the characteristic states for linear dichroism coincide with the characteristic states for linear birefringence. The characteristic states for elliptic dichroism are obtained. (M.A.F.) [pt

  1. Design study of a 15 kW free-piston Stirling engine-linear alternator for dispersed solar electric power systems

    Science.gov (United States)

    Dochat, G. R.; Chen, H. S.; Bhate, S.; Marusak, T.

    1979-01-01

    A conceptual design of a free piston solar Stirling engine-linear alternator which can be designed and developed to meet the requirements of a near-term solar test bed engine with minimum risks was developed. The conceptual design was calculated to have an overall system efficiency of 38% and provide 15kW electric output. The free piston engine design incorporates features such as gas bearings, close clearance seals, and gas springs. This design is hermetically sealed to provide long life, reliability, and maintenance free operation. An implementation assessment study performed indicates that the free piston solar Stirling engine-linear alternator can be manufactured at a reasonable price cost (direct labor plus material) of $2,500 per engine in production quantities of 25,000 units per year. Opportunity for significant reduction of cost was also identified.

  2. KINETIC-J: A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

    Science.gov (United States)

    Green, David L.; Berry, Lee A.; Simpson, Adam B.; Younkin, Timothy R.

    2018-04-01

    We present the KINETIC-J code, a computational kernel for evaluating the linearized Vlasov equation with application to calculating the kinetic plasma response (current) to an applied time harmonic wave electric field. This code addresses the need for a configuration space evaluation of the plasma current to enable kinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourier spectral methods. We benchmark the kernel via comparison with the standard k →-space forms of the hot plasma conductivity tensor.

  3. Magnetic Circular Dichroism of Porphyrin Lanthanide M3+ Complexes

    Czech Academy of Sciences Publication Activity Database

    Andrushchenko, Valery; Padula, Daniele; Zhivotova, E.; Yamamoto, S.; Bouř, Petr

    2014-01-01

    Roč. 26, č. 10 (2014), s. 655-662 ISSN 0899-0042 R&D Projects: GA ČR GA13-03978S; GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:GA AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : magnetic circular dichroism * lanthanides * porphyrin complexes * density functional theory * sum over state computations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.886, year: 2014

  4. Magnetic circular dichroism of CdTe nanoparticles

    Science.gov (United States)

    Malakhovskii, A. V.; Sokolov, A. E.; Tsipotan, A. S.; Zharkov, S. M.; Zabluda, V. N.

    2018-04-01

    Magnetic circular dichroism (MCD) of water-soluble CdTe nanoparticles was observed in the visible spectral range for the first time. Diameter of nanoparticles varied from 2.3 to 4.5 nm. Absorption and photoluminescence spectra were also recorded. Absorption line at 19400 cm-1 and luminescent line at 18200 cm-1 were observed. Splitting of value 960 cm-1 was revealed in the MCD spectrum. Approximately the same splitting was extracted from the absorption spectrum. The MCD was identified as the temperature independent paramagnetic mixing effect. Nature of the absorption line and of its splitting are discussed.

  5. Understanding electron magnetic circular dichroism in a transition potential approach

    Science.gov (United States)

    Barthel, J.; Mayer, J.; Rusz, J.; Ho, P.-L.; Zhong, X. Y.; Lentzen, M.; Dunin-Borkowski, R. E.; Urban, K. W.; Brown, H. G.; Findlay, S. D.; Allen, L. J.

    2018-04-01

    This paper introduces an approach based on transition potentials for inelastic scattering to understand the underlying physics of electron magnetic circular dichroism (EMCD). The transition potentials are sufficiently localized to permit atomic-scale EMCD. Two-beam and three-beam systematic row cases are discussed in detail in terms of transition potentials for conventional transmission electron microscopy, and the basic symmetries which arise in the three-beam case are confirmed experimentally. Atomic-scale EMCD in scanning transmission electron microscopy (STEM), using both a standard STEM probe and vortex beams, is discussed.

  6. Electricity

    Indian Academy of Sciences (India)

    which removes the heat produced In the core and the colis. I represents an Isolator which is a kind of. 'switch' used to isolate the station from the grid. Note the huge Insulators (marked I) that are used. The steel structures marked S support the conductors through insulators (courtesy: Kirloskar Electric Company, Bangalore).

  7. Bond length and electric current oscillation of long linear carbon chains: Density functional theory, MpB model, and quantum spin transport studies

    International Nuclear Information System (INIS)

    Oeiras, R. Y.; Silva, E. Z. da

    2014-01-01

    Carbon linear atomic chains attached to graphene have experimentally been produced. Motivated by these results, we study the nature of the carbon bonds in these nanowires and how it affects their electrical properties. In the present study we investigate chains with different numbers of atoms and we observe that nanowires with odd number of atoms present a distinct behavior than the ones with even numbers. Using graphene nanoribbons as leads, we identify differences in the quantum transport of the chains with the consequence that even and odd numbered chains have low and high electrical conduction, respectively. We also noted a dependence of current with the wire size. We study this unexpected behavior using a combination of first principles calculations and simple models based on chemical bond theory. From our studies, the electrons of carbon nanowires present a quasi-free electron behavior and this explains qualitatively the high electrical conduction and the bond lengths with unexpected values for the case of odd nanowires. Our study also allows the understanding of the electric conduction dependence with the number of atoms and their parity in the chain. In the case of odd number chains a proposed π-bond (MpB) model describes unsaturated carbons that introduce a mobile π-bond that changes dramatically the structure and transport properties of these wires. Our results indicate that the nature of bonds plays the main role in the oscillation of quantum electrical conduction for chains with even and odd number of atoms and also that nanowires bonded to graphene nanoribbons behave as a quasi-free electron system, suggesting that this behavior is general and it could also remain if the chains are bonded to other materials

  8. PCDDB: new developments at the Protein Circular Dichroism Data Bank.

    Science.gov (United States)

    Whitmore, Lee; Miles, Andrew John; Mavridis, Lazaros; Janes, Robert W; Wallace, B A

    2017-01-04

    The Protein Circular Dichroism Data Bank (PCDDB) has been in operation for more than 5 years as a public repository for archiving circular dichroism spectroscopic data and associated bioinformatics and experimental metadata. Since its inception, many improvements and new developments have been made in data display, searching algorithms, data formats, data content, auxillary information, and validation techniques, as well as, of course, an increase in the number of holdings. It provides a site (http://pcddb.cryst.bbk.ac.uk) for authors to deposit experimental data as well as detailed information on methods and calculations associated with published work. It also includes links for each entry to bioinformatics databases. The data are freely available to accessors either as single files or as complete data bank downloads. The PCDDB has found broad usage by the structural biology, bioinformatics, analytical and pharmaceutical communities, and has formed the basis for new software and methods developments. © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research.

  9. Maintenance of working capacity of movement mechanism of load trolley with linear traction electric drive of bridge type crane.

    Science.gov (United States)

    Goncharov, K. A.; Denisov, I. A.

    2017-10-01

    The article considers the influence of the air gap size between the linear motor elements on the stability of the traction drive of the movement mechanism of the trolley of the bridge type crane. The main factors affecting the air gap size and the causes of their occurrence are described. The technique of calculating the magnitude of air gap variation is described in relation to the general deformation of the crane metal structure. Recommendations on the need for installation of additional equipment for load trolleys of various designs are given. The optimal values of the length of the trolley base are proposed. Observance of these values ensures normal operation of the traction drive.

  10. Theoretical Study on Angular Dependence of X-ray Natural Circular Dichroism

    Science.gov (United States)

    Katsumoto, Hiroshi; Fujii, Hitoshi; Oguchi, Tamio

    Natural circular dichroism (NCD) can be detected as a difference in the photo-absorption between right- and left-circularly polarized lights in a non-centrosymmetric crystal. It originates in an interference term of electric dipole (E1) and magnetic dipole (M1) transitions in optical ranges, while in that of E1 and electric quadruple (E2) transition in x-ray ranges. In the latter case, the electronic transitions occur from particular inner core states to empty conduction bands depending on the x-ray energy and polarization, being called selection rules. To cause such an interference, the final states should be parity violated because of the selection rules for the E1 and E2 transitions. In this study, we calculate x-ray NCD (XNCD) spectra by using density-functional-theory electronic structure calculation method and Fermi's golden rule for LiIO3 (space group P63) and TeO2 (P212121). The dependence of the incident angle in the XNCD spectra is calculated and discussed in detail by comparing with its analytic expression.

  11. Flow Linear Dichroism Spectroscopic Studies of the Natural Product Curcumin and Double Stranded DNA

    DEFF Research Database (Denmark)

    Leth, Rasmus; Thulstrup, Peter Waaben

    2011-01-01

    Curcumin is a polyphenol found in the rhizomes of the plant Curcuma Longa, commonly known as turmeric. Curcumin has a bright yellow color, and in turmeric, curcumin exists along with two other curcuminoids: desmethoxy curcumin and bisdesmethoxy curcumin [1]. Curcumin has shown multiple biological...... effect, including antibacterial effects [2], antioxidant activities [1], antidepressant effects [3] and anticarcinogenic effects among others as reviewed by [4]. Importantly, it is known that curcumin can bind to and cross cellular membranes [5]....

  12. Systematic study of magnetic linear dichroism and birefringence in (Ga,Mn)As

    Czech Academy of Sciences Publication Activity Database

    Tesařová, N.; Ostatnický, T.; Novák, Vít; Olejník, Kamil; Šubrt, J.; Reichlová, Helena; Ellis, C.T.; Mukherjee, A.; Lee, J.; Sipahi, G.M.; Sinova, Jairo; Hamrle, J.; Jungwirth, Tomáš; Němec, P.; Cerne, J.; Výborný, Karel

    2014-01-01

    Roč. 89, č. 8 (2014), , , "085203-1"-"085203-14" ISSN 1098-0121 R&D Projects: GA MŠk(CZ) LM2011026 EU Projects: European Commission(XE) 268066 - 0MSPIN Grant - others:AV ČR(CZ) AP0801 Program:Akademická prémie - Praemium Academiae Institutional support: RVO:68378271 Keywords : ferromagnetic semiconductors * magneto-optics Subject RIV: BH - Optics, Masers, Lasers Impact factor: 3.736, year: 2014

  13. Flow Linear Dichroism Spectroscopic Studies of the Natural Product Curcumin and Double Stranded DNA

    DEFF Research Database (Denmark)

    Leth, Rasmus; Thulstrup, Peter Waaben

    2011-01-01

    Curcumin is a polyphenol found in the rhizomes of the plant Curcuma Longa, commonly known as turmeric. Curcumin has a bright yellow color, and in turmeric, curcumin exists along with two other curcuminoids: desmethoxy curcumin and bisdesmethoxy curcumin [1]. Curcumin has shown multiple biological...

  14. Stokes-Mueller matrix polarimetry technique for circular dichroism/birefringence sensing with scattering effects.

    Science.gov (United States)

    Phan, Quoc-Hung; Lo, Yu-Lung

    2017-04-01

    A surface plasmon resonance (SPR)-enhanced method is proposed for measuring the circular dichroism (CD), circular birefringence (CB), and degree of polarization (DOP) of turbid media using a Stokes–Mueller matrix polarimetry technique. The validity of the analytical model is confirmed by means of numerical simulations. The simulation results show that the proposed detection method enables the CD and CB properties to be measured with a resolution of 10 ? 4 refractive index unit (RIU) and 10 ? 5 ?? RIU , respectively, for refractive indices in the range of 1.3 to 1.4. The practical feasibility of the proposed method is demonstrated by detecting the CB/CD/DOP properties of glucose–chlorophyllin compound samples containing polystyrene microspheres. It is shown that the extracted CB value decreases linearly with the glucose concentration, while the extracted CD value increases linearly with the chlorophyllin concentration. However, the DOP is insensitive to both the glucose concentration and the chlorophyllin concentration. Consequently, the potential of the proposed SPR-enhanced Stokes–Mueller matrix polarimetry method for high-resolution CB/CD/DOP detection is confirmed. Notably, in contrast to conventional SPR techniques designed to detect relative refractive index changes, the SPR technique proposed in the present study allows absolute measurements of the optical properties (CB/CD/DOP) to be obtained.

  15. Detection of a weak ring current in a nonaromatic porphyrin nanoring using magnetic circular dichroism.

    Science.gov (United States)

    Kowalska, Patrycja; Peeks, Martin D; Roliński, Tomasz; Anderson, Harry L; Waluk, Jacek

    2017-12-13

    We compare the absorption and magnetic circular dichroism (MCD) spectra of a series of porphyrin oligomers - dimer, tetramer, and hexamer - bound in a linear or cyclic fashion. The MCD signal is extremely weak for low energy transitions in the linear oligomers, but it is amplified when the cyclic porphyrin hexamer binds a template, restricting rotational freedom. The appearance of Faraday A terms in the MCD spectra demonstrates the presence of a magnetic moment, and thus, uncompensated electronic current. The value of the excited state magnetic moment estimated from the A term is very low compared with those of monomeric porphyrins, which confirms the nonaromatic character of the cyclic array and the lack of a global ring current in the ground state of the neutral nanoring. DFT calculations predict the absorption and MCD patterns reasonably well, but fail to reproduce the MCD sign inversion observed in substituted monomeric zinc porphyrins ("soft" chromophores). Interestingly, a correct sign pattern is predicted by INDO/S calculations. Analysis of the MCD spectra of the monomeric porphyrin unit allowed us to distinguish between two close-lying lowest energy transitions, which some previous assignments placed further apart. The present results prove the usefulness of MCD not only for deconvolution and assignment of electronic transitions, but also as a sensitive tool for detecting electronic ring currents.

  16. Vibrational and Electronic Circular Dichroism Monitoring of Copper(II) Coordination with a Chiral Ligand

    Czech Academy of Sciences Publication Activity Database

    Wu, T.; Zhang, X. P.; Li, C. H.; Bouř, Petr; Li, Y. Z.; You, X. Z.

    2012-01-01

    Roč. 24, č. 6 (2012), s. 451-458 ISSN 0899-0042 R&D Projects: GA ČR GAP208/11/0105 Institutional research plan: CEZ:AV0Z40550506 Keywords : circular dichroism * vibrational circular dichroism * coordination compounds * density functional theory computations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.718, year: 2012

  17. Supramolecular Chemistry: Induced Circular Dichroism to Study Host-Guest Geometry

    Science.gov (United States)

    Mendicuti, Francisco; Gonzalez-Alvarez, Maria Jose

    2010-01-01

    In this laboratory experiment, students obtain information about the structure of a host-guest complex from the interpretation of circular dichroism measurements. The value and sign of the induced circular dichroism (ICD) on an achiral chromophore guest when it complexes with a cyclodextrin can be related to the guest penetration and its…

  18. Absolute configuration assignment of (+)-fluralaner using vibrational circular dichroism.

    Science.gov (United States)

    Kong, John; Joyce, Leo A; Liu, Jinchu; Jarrell, Tiffany M; Culberson, J Chris; Sherer, Edward C

    2017-12-01

    The absolute configurations of the separated enantiomers of fluralaner, a racemic animal health product used to prevent fleas and ticks, have been assigned using vibrational circular dichroism (VCD). The crystallographic structure of the active enantiomer (+)-fluralaner has previously been shown to have the (S) configuration using small molecule crystallography. We sought a faster analytical method to determine the absolute configuration of the separated enantiomers. When comparing the measured IR (infrared) and VCD spectra, it is apparent that the amide carbonyl groups appear in the IR but are nearly absent in the VCD. Computational work to calculate the VCD and IR using in vacuo models, implicit solvation, and explicitly solvated complexes has implicated conformational averaging of the carbonyl VCD intensities. © 2017 Wiley Periodicals, Inc.

  19. Conformational changes of Loxosceles venom sphingomyelinases monitored by circular dichroism.

    Science.gov (United States)

    de Andrade, Sonia A; Pedrosa, Matheus F Fernandes; de Andrade, Rute M Gonçalves; Oliva, Maria Luiza Vilela; van den Berg, Carmen W; Tambourgi, Denise V

    2005-02-04

    Envenomation by arachnids of the genus Loxosceles can induce a variety of biological effects, including dermonecrosis and hemolysis. We have previously identified in L. intermedia venom two highly homologous proteins with sphingomyelinase activity, termed P1 and P2, responsible for all these pathological events, and also an inactive isoform P3. The toxins P1 and P2 displayed 85% identity with each other at the amino acid level and showed a 57% identity with SMase I, an active toxin from L. laeta venom. Circular dichroism was used to determine and compare the solution structure of the active and inactive isoforms. Effects of pH and temperature change on the CD spectra of the toxins were investigated and correlated with the biological activities. This study sheds new light on the structure-function relationship of homologous proteins with distinct biological properties and represents the first report on the structure-function relationship of Loxosceles sphingomyelinases D.

  20. THz spectroscopy and directional dichroism in the high magnetic field AFM phase of bulk BiFeO3

    Science.gov (United States)

    Rõõm, Toomas; Viirok, J.; Nagel, U.; Farkas, D.; Bordács, S.; Kézsmárki, I.; Engelkamp, H.; Thirunavukkuarasu, K.; Krzystek, J.; Fishman, R. S.; Ozaki, Y.; Tomioka, Y.; Ito, T.

    Magnetic ordering can induce local electric polarization via three mechanisms in BiFeO3: spin-current, exchange-striction, and single-ion anisotropy. Only the spin-current mechanism causes the observed large non-reciprocal directional dichroism (NDD) at THz frequencies in the cycloidal state. However, the static magneto-electric effect persists even in the canted AFM state where the cycloid is destroyed by high magnetic field. Single crystal samples were studied in fields up to 35 T with B ∥ a , B ⊥ a and B ∥ a . NDD was found in the canted AFM phase above 18 T. The number of observed spin wave modes is not consistent with a current model of two AFM-coupled spin sublattices in the canted AFM phase. Research sponsored by the Estonian Ministry of Education and Research (IUT23-3) and Estonian Ministry of Education and Research and the European Regional Development Fund project TK134.

  1. X-ray dichroism of rare earth materials

    International Nuclear Information System (INIS)

    Goedkoop, J.B.

    1989-01-01

    The theme of this thesis is the investigation of the strong polarization dependende, or dichroism, that occur in the X-ray absorption spectra of rare earth materials. The rare earth elements distinguish themselves from the other elements through the behaviour of the 4f electrons which form the valence shell. This shell lies deep inside the atom, with the result that influences from the surrounding solid are well screened off by the outer electrons, so that even in the solid the 4f shell behaves very much like a in free atom or ion, and is almost completely spherically symmetric. Perturbations from the solid environment however always disturb this symmetry to some extend, with the result that the absorption spectrum becomes dependent on the mutual orientation of the polarization vector of the radiation and the ion. Earlier the existence of a strong magnetic X-ray dichroism (MXD) in the 3d→4f transitions of rare earths. In this thesis this work is extended, to a small degree theoretically but mainly experimentally. MXD is used in experiments on bulk sample, terbium iron garnet, and on rare earth overlayers on a ferromagnetic surface, Ni(110). The results of the latter study show unequivocally the potential of the MXD technique. The second theme of the thesis concerns experimental developments in soft X-ray spectroscopy. A description is given of a double crystal monochromator beamline that was constructed by our group at LURE, France. Results of the use of an organic crystal - multilayer comination in such a monochromator is described. Also a method is described for the characterization of the resolution of soft X-ray monochromators. Finally a contribution to the characterization of the electron yield technique in the soft X-ray range is given. (author). 296 refs.; 64 figs.; 59 schemes; 9 tabs

  2. Influence of formic acid on electrical, linear and nonlinear optical properties of potassium dihydrogen phosphate (KDP) crystals

    Energy Technology Data Exchange (ETDEWEB)

    Anis, Mohd [Crystal Growth Laboratory, Department of Physics, Milliya Arts, Science and Management Science College, Beed 431122, Maharashtra (India); Shirsat, M.D. [Intelligent Material Research Laboratory, Department of Physics, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431005,Maharashtra (India); Muley, Gajanan [Department of Physics, Sant Gadge Baba Amravati University, Amravati 444602, Maharashtra (India); Hussaini, S.S., E-mail: Shuakionline@yahoo.co.in [Crystal Growth Laboratory, Department of Physics, Milliya Arts, Science and Management Science College, Beed 431122, Maharashtra (India)

    2014-09-15

    In present investigation 0.5 and 1 mol% formic acid (FA) added potassium dihydrogen phosphate (KDP) crystals have been grown by a slow evaporation technique. The cell parameters of the grown crystals were determined using single crystal X-ray diffraction analysis. The presence of different functional groups has been qualitatively analyzed by the FT-IR spectral analysis. The optical transparency and optical constants were assessed employing UV–visible studies in the range of 200–900 nm. The wide optical band gap of 1 mol% FA added KDP has been found to be 5 eV. The frequency dependent dielectric measurements were studied for pure and KDP added FA crystals. The enhanced second harmonic generation (SHG) efficiency of grown crystals was determined by a classical Kurtz–Perry powder technique. The encouraging third order nonlinear properties were examined employing a Z-scan technique using He–Ne laser, at 632.8 nm. The effective negative index of refraction and high figure of merit (FOM) essential for laser stabilization were determined for grown crystals. - Highlights: • Study on electrical and optical properties of formic acid (FA) added KDP was reported for the first time. • Optical properties were found to be enhanced with increasing concentration of FA. • The SHG efficiency of 1 mol% FA added KDP was 1.13 times that of KDP. • The high concentration of FA contributed lower dielectric properties to KDP suitable for microelectronics applications. • The improved third order nonlinear parameters were ascertained with addition of FA in KDP crystal.

  3. Chirality versus dichroism: Competition and role in conical diffraction displayed from the Nd:Bi2ZnOB2O6 acentric biaxial laser crystal

    Science.gov (United States)

    Brenier, A.; Majchrowski, A.; Michalski, E.

    2017-10-01

    We have grown acentric chiral Nd-doped BZBO single crystals by the Kyropoulos method, cut perpendicular to the optical axis. With a focused beam at wavelengths in the spectral domain of transparency with various polarizations, the conoscopy patterns revealed the specific role of chirality: disappearance of the optical axis replaced by two C-directions, linear polarization rotation and spiral patterns. The specific rotatory power was measured. The output near field exhibits the influence of chirality on the conical diffraction. Going to wavelengths in the spectral domain of absorption corresponding to the 4I9/2 → 4F5/2 Nd3+ transition, we first studied the chirality/dichroism competition from propagation along the C-directions, characterizing the circular and elliptic eigen-modes. We exhibited the wavelengths at which the ellipse degenerates linearly, signature of the chirality/dichroism balancing. The second aspect is the existence of the optical axis which can be restored if the dichroism is high enough. In this case a singular Voigt wave can propagate. From the experimental determination of the optical parameters, a theoretical description has been proposed, leading to quite well agreement in the far field (conoscopy) and in the near field (conical diffraction).

  4. Vertical-type chiroptical spectrophotometer (I): instrumentation and application to diffuse reflectance circular dichroism measurement.

    Science.gov (United States)

    Harada, Takunori; Hayakawa, Hiroshi; Kuroda, Reiko

    2008-07-01

    We have designed and built a novel universal chiroptical spectrophotometer (UCS-2: J-800KCMF), which can carry out in situ chirality measurement of solid samples without any pretreatment, in the UV-vis region and with high relative efficiency. The instrument was designed to carry out transmittance and diffuse reflectance (DR) circular dichroism (CD) measurements simultaneously, thus housing two photomultipliers. It has a unique feature that light impinges on samples vertically so that loose powders can be measured by placing them on a flat sample holder in an integrating sphere. As is our first universal chiroptical spectrophotometer, UCS-1, two lock-in amplifiers are installed to remove artifact signals arising from macroscopic anisotropies which are unique to solid samples. High performance was achieved by theoretically analyzing and experimentally proven the effect of the photoelastic modulator position on the CD base line shifts, and by selecting high-quality optical and electric components. Measurement of microcrystallines of both enantiomers of ammonium camphorsulfonate by the DRCD mode gave reasonable results.

  5. High Field Magnetic Circular Dichroism in Ferromagnetic InMnSb and InMnAs

    Science.gov (United States)

    Meeker, M. A.; Magill, B. A.; Khodaparast, G. A.; Saha, D.; Stanton, C. J.; McGill, S.; Wessels, B. W.

    An understanding of the fundamental interactions in narrow gap ferromagnetic semiconductors such as InMnAs and InMnSb has been developed primarily from static magnetization and electrical transport measurements. In this study, to provide a better understanding of the coupling of the Mn impurities to the conduction and valence bands through the sp-d exchange interactions, we have performed magnetic circular dichroism measurements (MCD) on MOVPE grown InMnAs and InMnSb. In our samples, the Mn content varies from 2% to 10.7% and all the samples have Curie temperatures above 300 K. The samples were photo-excited using a Quartz Tungsten Halogen lamp with energies ranging between 0.92-1.45 eV, and in magnetic fields up to 31 T. The temperatures ranged from 15-190 K. Comparison of the observed MCD with theoretical calculations provides a direct method to probe the band structure including the temperature dependence of the spin-orbit split-off bandgap and g-factors, as well as a means to estimate the sp-d coupling constants. Supported by the AFOSR through grant FA9550-14-1-0376, NSF-Career Award DMR-0846834 , NSF-DMR-60035274 , NSF-DMR-1305666, NSF MRI program (DMR-1229217).

  6. Absolute configuration of verticillane diterpenoids by vibrational circular dichroism.

    Science.gov (United States)

    Cerda-García-Rojas, Carlos M; García-Gutiérrez, Hugo A; Hernandez-Hernandez, Juan D; Roman-Marín, Luisa U; Joseph-Nathan, Pedro

    2007-07-01

    Good agreement between theoretical and experimental vibrational circular dichroism curves of (1S,11S,12S)-(+)-verticilla-3E,7E-dien-12-ol (1) established the absolute configuration of this natural diterpene isolated from Bursera suntui. Molecular modeling of 1 was carried out using the Monte Carlo protocol followed by geometry optimization at the B3LYP 6-31G(d,p) level of theory. The 12-membered ring of 1 was found in a single preferred chair-chair-chair-chair conformation. In the six-membered ring a chair prevails over a distorted boat, and the C-OH bond rotation generates three predominant rotamers. Validation of the minimum energy conformation for 1 was achieved by comparison of theoretical and experimental infrared frequencies, vicinal 1H NMR coupling constants, and X-ray diffraction data. This study confirms that (+)-verticillol 1 isolated from Bursera species has the 1S,11S,12S absolute configuration that corresponds to the same enantiomeric series as verticillanes from Sciadopitys and Taxus, while verticillanes from Jackiella and Jungermannia have antipodal structures.

  7. Magnetic circular dichroism of porphyrin lanthanide M3+ complexes.

    Science.gov (United States)

    Andrushchenko, Valery; Padula, Daniele; Zhivotova, Elena; Yamamoto, Shigeki; Bouř, Petr

    2014-10-01

    Lanthanide complexes exhibit interesting spectroscopic properties yielding many applications as imaging probes, natural chirality amplifiers, and therapeutic agents. However, many properties are not fully understood yet. Therefore, we applied magnetic circular dichroism (MCD) spectroscopy, which provides enhanced information about the underlying electronic structure to a series of lanthanide compounds. The metals in the M(3+) state included Y, La, Eu, Tb, Dy, Ho, Er, Tm, Yb, and Lu; the spectra were collected for selected tetraphenylporphin (TPP) and octaethylporphin (OEP) complexes in chloroform. While the MCD and UV-VIS absorption spectra were dominated by the porphyrin signal, metal binding significantly modulated them. MCD spectroscopy was found to be better suited to discriminate between various species than absorption spectroscopy alone. The main features and trends in the lanthanide series observed in MCD and absorption spectra of the complexes could be interpreted at the Density Functional Theory (DFT) level, with effective core potentials on metal nuclei. The sum over state (SOS) method was used for simulation of the MCD intensities. The combination of the spectroscopy and quantum-chemical computations is important for understanding the interactions of the metals with the organic compounds. © 2014 Wiley Periodicals, Inc.

  8. Handbook on linear motor application

    International Nuclear Information System (INIS)

    1988-10-01

    This book guides the application for Linear motor. It lists classification and speciality of Linear Motor, terms of linear-induction motor, principle of the Motor, types on one-side linear-induction motor, bilateral linear-induction motor, linear-DC Motor on basic of the motor, linear-DC Motor for moving-coil type, linear-DC motor for permanent-magnet moving type, linear-DC motor for electricity non-utility type, linear-pulse motor for variable motor, linear-pulse motor for permanent magneto type, linear-vibration actuator, linear-vibration actuator for moving-coil type, linear synchronous motor, linear electromagnetic motor, linear electromagnetic solenoid, technical organization and magnetic levitation and linear motor and sensor.

  9. Enhancing circular dichroism by super chiral hot spots from a chiral metasurface with apexes

    Science.gov (United States)

    Wang, Zeng; Teh, Bing Hong; Wang, Yue; Adamo, Giorgio; Teng, Jinghua; Sun, Handong

    2017-05-01

    Manipulating light spin (or circular polarization) is an important research field and may find broad applications from sensors, display technology, to quantum computing and communication. To this end, planar metasurfaces with larger circular dichroism are strongly demanded. However, current planar chiral metasurface structures suffer from either fabrication challenge, especially from near-infrared to visible spectrum, or insufficient circular dichroism. Here, we report a chiral metasurface composed of achiral nanoholes which allow for precisely creating apexes in the designed structure. Our investigation indicates that the apexes act as super chiral hot spots and enable the highly concentrated near-field optical chirality leading to a remarkable enhancement of circular dichroism in the far-field. A 4-fold enhancement of the circular dichroism and a strong optical activity of ˜15 degrees have been experimentally achieved. Besides the enhanced chirality, our design genuinely overcomes the nanofabrication challenge faced in existing planar chiral metasurfaces.

  10. Enantioselective femtosecond laser photoionization spectrometry of limonene using photoelectron circular dichroism

    NARCIS (Netherlands)

    Rafiee Fanood, M.M.; Janssen, M.H.M.; Powis, I.

    2015-01-01

    Limonene is ionized by circularly polarized 420 nm femtosecond laser pulses. Ion mass and photoelectron energy spectra identify the dominant (2 + 1) multiphoton ionization mechanism, aided by TDDFT calculations of the Rydberg excitations. Photoelectron circular dichroism measurements on pure

  11. Valence band circular dichroism in non-magnetic Ag/Ru(0001) at normal emission

    Energy Technology Data Exchange (ETDEWEB)

    Mascaraque, Arantzazu [Departamento Fisica de Materiales, Universidad Complutense de Madrid, Madrid 28040 (Spain); Onur Mentes, T; Locatelli, Andrea [Sincrotrone Trieste S.C.p.A, Basovizza, Trieste 34149 (Italy); McCarty, Kevin F [Sandia National Laboratories, Livermore, CA 94550 (United States); Marco, Jose F; De la Figuera, Juan [Instituto de Quimica-Fisica Rocasolano, CSIC, Madrid 28006 (Spain); Schmid, Andreas K [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2011-08-03

    For the non-magnetic system of Ag films on Ru(0001), we have measured the circular dichroism of photoelectrons emitted along the surface normal, the geometry typically used in photoemission electron microscopy. Photoemission spectra were acquired from micrometer-sized regions having uniformly thick Ag films on a single, atomically flat Ru terrace. For a single Ag layer, we find a circular dichroism that exceeds 6% at the d-derived band region around 4.5 eV binding energy. The dichroism decreases as the Ag film thickness increases to three atomic layers. We discuss the origin of the circular dichroism in terms of the symmetry lowering that can occur even in normal emission.

  12. Non-reciprocal directional dichroism in the AFM phase of BiFeO3 at THz frequencies

    Science.gov (United States)

    Nagel, Urmas; Rõõm, T.; Farkas, D.; Szaller, D.; Bordács, S.; Kézsmárki, I.; Engelkamp, H.; Ozaki, Y.; Tomiaki, Y.; Ito, T.; Fishman, Randy S.

    We did THz absorption spectroscopy of BiFeO3 single crystals in the AFM phase, where the spin cycloid is destroyed in magnetic fields between 18 T and 32 T in Voigt geometry at 1.6 K. If B0 ∥ [ 1 1 0 ] , we see strong directional dichroism (DD) of absorption of the magnon mode with light propagating along the direction of the ferroelectric polarization k ∥ P ∥ [ 111 ] and eω ∥ [ 1 1 0 ] , bω ∥ [ 1 1 2 ] . The sign of DD can be reversed (i) by reversing the direction of B0 or (ii) by flipping the sample, thus reversing the propagation direction of light. The observed effect is caused by the strong magneto-electric coupling in the collinear AFM phase. Research sponsored by the Estonian Ministry of Education and Research (IUT23-3).

  13. DNA electronic circular dichroism on the inter-base pair scale

    DEFF Research Database (Denmark)

    Di Meo, Florent; Nørby, Morten Steen; Rubio-Magnieto, Jenifer

    2015-01-01

    A successful elucidation of the near-ultraviolet electronic circular dichroism spectrum of a short double-stranded DNA is reported. Time-dependent density functional theory methods are shown to accurately predict spectra and assign bands on the microscopic base-pair scale, a finding that opens th...... the field for using circular dichroism spectroscopy as a sensitive nanoscale probe of DNA to reveal its complex interactions with the environment. (Chemical Equation Presented)....

  14. Linearity and Non-linearity of Photorefractive effect in Materials ...

    African Journals Online (AJOL)

    In this paper we have studied the Linearity and Non-linearity of Photorefractive effect in materials using the band transport model. For low light beam intensities the change in the refractive index is proportional to the electric field for linear optics while for non- linear optics the change in refractive index is directly proportional ...

  15. Circular dichroism sensor based on cadmium sulfide quantum dots for chiral identification and detection of penicillamine

    Energy Technology Data Exchange (ETDEWEB)

    Ngamdee, Kessarin [Materials Chemistry Research Center, Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Khon Kaen University, Khon Kaen, 40002 (Thailand); Puangmali, Theerapong [Department of Physics, Faculty of Science, Khon Kaen University, Khon Kaen, 40002 (Thailand); Tuntulani, Thawatchai [Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330 (Thailand); Ngeontae, Wittaya, E-mail: wittayange@kku.ac.th [Materials Chemistry Research Center, Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Khon Kaen University, Khon Kaen, 40002 (Thailand)

    2015-10-22

    A new chemical sensor based on the measuring of circular dichroism signal (CD) was fabricated from cysteamine capped cadmium sulfide quantum dots (Cys-CdS QDs). The chiral-thiol molecules, D-penicillamine (DPA) and L-penicillamine (LPA), were used to evaluate potentials of this sensor. Basically, DPA and LPA provide very low CD signals. However, the CD signals of DPA and LPA can be enhanced in the presence of Cys-CdS QDs. The CD spectra of DPA and LPA exhibited a mirror image profile. Parameters affecting the determination of DPA and LPA were thoroughly investigated in details. Under the optimized condition, the CD signals of DPA and LPA displayed a linear relationship with the concentrations of both enantiomers, ranging from 1 to 35 μM. Detection limits of this sensor were 0.49 and 0.74 μM for DPA and LPA, respectively. To demonstrate a potential application of this sensor, the proposed sensor was used to determine DPA and LPA in real urine samples. It was confirmed that the proposed detection technique was reliable and could be utilized in a broad range of applications. - Highlights: • This paper demonstrates a new CD sensor based on cadmium sulfide quantum dots. • Achiral quantum dots are used for the detection and chiral identification of thiol-chiral containing compounds. • The sensor show highest selectivity towards penicillamine. • The detection limits of the sensor less than 1 μM. • The sensor can potentially be used in physiological urine samples.

  16. Four-wave mixing using polarization grating induced thermal grating in liquids exhibiting circular dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Nunes, J.A.; Tong, W.G. [San Diego State Univ., CA (United States). Dept. of Chemistry; Chandler, D.W.; Rahn, L.A. [Sandia National Lab., Livermore, CA (United States). Combustion Research Facility

    1995-04-01

    A novel four-wave mixing technique for the detection of circular dichroism in optically active liquid samples is demonstrated. When two cross-polarized laser beams are crossed at a small angle in a circular dichroic liquid a weak thermal grating is produced with a phase depending on the sign of the circular dichroism. The authors show that the polarization of one of the beams can be modified to allow coherent interference with an intensity-grating induced thermal grating. A probe beam scattering from the composite grating results in a signal that reveals the sign and magnitude of the circular dichroism. The use of this technique to optimize the signal-to-noise ratio in the presence of scattered light and laser intensity noise is discussed.

  17. Near shot-noise limited time-resolved circular dichroism pump-probe spectrometer

    Science.gov (United States)

    Stadnytskyi, Valentyn; Orf, Gregory S.; Blankenship, Robert E.; Savikhin, Sergei

    2018-03-01

    We describe an optical near shot-noise limited time-resolved circular dichroism (TRCD) pump-probe spectrometer capable of reliably measuring circular dichroism signals in the order of μdeg with nanosecond time resolution. Such sensitivity is achieved through a modification of existing TRCD designs and introduction of a new data processing protocol that eliminates approximations that have caused substantial nonlinearities in past measurements and allows the measurement of absorption and circular dichroism transients simultaneously with a single pump pulse. The exceptional signal-to-noise ratio of the described setup makes the TRCD technique applicable to a large range of non-biological and biological systems. The spectrometer was used to record, for the first time, weak TRCD kinetics associated with the triplet state energy transfer in the photosynthetic Fenna-Matthews-Olson antenna pigment-protein complex.

  18. DichroMatch at the protein circular dichroism data bank (DM@PCDDB): A web-based tool for identifying protein nearest neighbors using circular dichroism spectroscopy.

    Science.gov (United States)

    Whitmore, Lee; Mavridis, Lazaros; Wallace, B A; Janes, Robert W

    2018-01-01

    Circular dichroism spectroscopy is a well-used, but simple method in structural biology for providing information on the secondary structure and folds of proteins. DichroMatch (DM@PCDDB) is an online tool that is newly available in the Protein Circular Dichroism Data Bank (PCDDB), which takes advantage of the wealth of spectral and metadata deposited therein, to enable identification of spectral nearest neighbors of a query protein based on four different methods of spectral matching. DM@PCDDB can potentially provide novel information about structural relationships between proteins and can be used in comparison studies of protein homologs and orthologs. © 2017 The Authors Protein Science published by Wiley Periodicals, Inc. on behalf of The Protein Society.

  19. Conformational analysis and circular dichroism of bilirubin, the yellow pigment of jaundice

    Science.gov (United States)

    Lightner, David A.; Person, Richard; Peterson, Blake; Puzicha, Gisbert; Pu, Yu-Ming; Bojadziev, Stefan

    1991-06-01

    Conformational analysis of (4Z, 15Z)-bilirubin-IX(alpha) by molecular mechanics computations reveals a global energy minimum folded conformation. Powerful added stabilization is achieved through intramolecular hydrogen bonding. Theoretical treatment of bilirubin as a molecular exciton predicts an intense bisignate circular dichroism spectrum for the folded conformation: (Delta) (epsilon) is congruent to 270 L (DOT) mole-1 (DOT) cm-1 for the $OM450 nm electronic transition(s). Synthesis of bilirubin analogs with propionic acid groups methylated at the (alpha) or (beta) position introduces an allosteric effect that allows for an optical resolution of the pigments, with enantiomers exhibiting the theoretically predicted circular dichroism.

  20. Circular dichroism spectral data and metadata in the Protein Circular Dichroism Data Bank (PCDDB): a tutorial guide to accession and deposition.

    Science.gov (United States)

    Janes, Robert W; Miles, A J; Woollett, B; Whitmore, L; Klose, D; Wallace, B A

    2012-09-01

    The Protein Circular Dichroism Data Bank (PCDDB) is a web-based resource containing circular dichroism (CD) and synchrotron radiation circular dichroism spectral and associated metadata located at http://pcddb.cryst.bbk.ac.uk. This resource provides a freely available, user-friendly means of accessing validated CD spectra and their associated experimental details and metadata, thereby enabling broad usage of this material and new developments across the structural biology, chemistry, and bioinformatics communities. The resource also enables researchers utilizing CD as an experimental technique to have a means of storing their data at a secure site from which it is easily retrievable, thereby making their results publicly accessible, a current requirement of many grant-funding agencies world-wide, as well as meeting the data-sharing requirements for journal publications. This tutorial provides extensive information on searching, accessing, and downloading procedures for those who wish to utilize the data available in the data bank, and detailed information on deposition procedures for creating and validating entries, including comprehensive explanations of their contents and formats, for those who wish to include their data in the data bank. Copyright © 2012 Wiley Periodicals, Inc.

  1. Linear Algebra and Linear Models

    Indian Academy of Sciences (India)

    Linear Algebra and Linear. Models. Kalyan Das. Linear Algebra and linear Models. (2nd Edn) by R P Bapat. Hindustan Book Agency, 1999 pp.xiii+180, Price: Rs.135/-. This monograph provides an introduction to the basic aspects of the theory oflinear estima- tion and that of testing linear hypotheses. The primary objective ...

  2. Scanning differential polarization microscope: Its use to image linear and circular differential scattering

    International Nuclear Information System (INIS)

    Mickols, W.; Maestre, M.F.

    1988-01-01

    A differential polarization microscope that couples the sensitivity of single-beam measurement of circular dichroism and circular differential scattering with the simultaneous measurement of linear dichroism and linear differential scattering has been developed. The microscope uses a scanning microscope stage and single-point illumination to give the very shallow depth of field found in confocal microscopy. This microscope can operate in the confocal mode as well as in the near confocal condition that can allow one to program the coherence and spatial resolution of the microscope. This microscope has been used to study the change in the structure of chromatin during the development of sperm in Drosophila

  3. Linear algebra

    CERN Document Server

    Shilov, Georgi E

    1977-01-01

    Covers determinants, linear spaces, systems of linear equations, linear functions of a vector argument, coordinate transformations, the canonical form of the matrix of a linear operator, bilinear and quadratic forms, Euclidean spaces, unitary spaces, quadratic forms in Euclidean and unitary spaces, finite-dimensional space. Problems with hints and answers.

  4. Vibrational and electronic circular dichroism as powerful tools for the conformational analysis of cationic antimicrobial peptides

    Czech Academy of Sciences Publication Activity Database

    Kocourková, L.; Novotná, P.; Šťovíčková-Habartová, L.; Čujová, Sabína; Čeřovský, Václav; Urbanová, M.; Setnička, V.

    2016-01-01

    Roč. 147, č. 8 (2016), s. 1439-1445 ISSN 0026-9247 Institutional support: RVO:61388963 Keywords : conformation * circular dichroism * antimicrobial peptides * liposomes * infrared spectroscopy Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 1.282, year: 2016

  5. Near infrared magnetic circular dichroism of uranium borohydride, U(BH4)4

    International Nuclear Information System (INIS)

    Keiderling, T.A.; Schulz, W.C.

    1980-01-01

    The magnetic circular dichroism of U(BH 4 ) 4 in Hf(BH 4 ) 4 at low temperatures has been measured in the near. The A terms resulting can be interpreted to confirm the E symmetry ground state and three excited state assignments. (orig.)

  6. A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion

    DEFF Research Database (Denmark)

    Cukras, Janusz; Kauczor, Joanna; Norman, Patrick

    2016-01-01

    A computational protocol for magneto-chiral dichroism and magneto-chiral birefringence dispersion is presented within the framework of damped response theory, also known as complex polarization propagator theory, at the level of time-dependent Hartree–Fock and time-dependent density functional...

  7. Interpretation of synchrotron radiation circular dichroism spectra of anionic, cationic, and zwitterionic dialanine forms

    Czech Academy of Sciences Publication Activity Database

    Šebek, Jiří; Gyurcsik, B.; Šebestík, Jaroslav; Kejík, Z.; Bednárová, Lucie; Bouř, Petr

    2007-01-01

    Roč. 111, č. 14 (2007), s. 2750-2760 ISSN 1089-5639 R&D Projects: GA ČR GA203/06/0420; GA AV ČR IAA400550702 Institutional research plan: CEZ:AV0Z40550506 Keywords : synchrotron radiation * circular dichroism * TD DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.918, year: 2007

  8. Absorption and Circular Dichroism Spectra of Different Forms of Mushroom Tyrosinase

    NARCIS (Netherlands)

    Schoot Uiterkamp, A.J.M.; Jolley, R.L.; Mason, H.S.

    1976-01-01

    The circular dichroism spectrum of resting mushroom tyrosinase between 800 and 400 nm showed two bands at 755, and 653 nm. The CD spectrum of resting tyrosinase between 400 and 250 nm showed oxygen-sensitive changes at 350 nm upon treatment of tyrosinase with hydroxylamine or hydrogen peroxide.

  9. Protein Circular Dichroism Data Bank (PCDDB): data bank and website design.

    Science.gov (United States)

    Whitmore, Lee; Janes, Robert W; Wallace, B A

    2006-06-01

    The Protein Circular Dichroism Data Bank (PCDDB) is a new deposition data bank for validated circular dichroism spectra of biomacromolecules. Its aim is to be a resource for the structural biology and bioinformatics communities, providing open access and archiving facilities for circular dichroism and synchrotron radiation circular dichroism spectra. It is named in parallel with the Protein Data Bank (PDB), a long-existing valuable reference data bank for protein crystal and NMR structures. In this article, we discuss the design of the data bank structure and the deposition website located at http://pcddb.cryst.bbk.ac.uk. Our aim is to produce a flexible and comprehensive archive, which enables user-friendly spectral deposition and searching. In the case of a protein whose crystal structure and sequence are known, the PCDDB entry will be linked to the appropriate PDB and sequence data bank files, respectively. It is anticipated that the PCDDB will provide a readily accessible biophysical catalogue of information on folded proteins that may be of value in structural genomics programs, for quality control and archiving in industrial and academic labs, as a resource for programs developing spectroscopic structural analysis methods, and in bioinformatics studies. Copyright 2006 Wiley-Liss, Inc.

  10. Cross-polarization detection enables fast measurement of vibrational circular dichroism

    Czech Academy of Sciences Publication Activity Database

    Bouř, Petr

    2009-01-01

    Roč. 10, č. 12 (2009), s. 1983-1985 ISSN 1439-4235 Institutional research plan: CEZ:AV0Z40550506 Keywords : vibrational circular dichroism * time-resolved experiment Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.453, year: 2009

  11. Application of circular dichroism spectroscopy in the study of mixed-valence asymmetric ruthenium polypyridyl complexes

    NARCIS (Netherlands)

    Ahmed, Hamid M. Y.; Coburn, Nadia; Dini, Danilo; de Jong, Jaap J. D.; Villani, Claudio; Browne, Wesley R.; Vos, Johannes G.

    2011-01-01

    Circular dichroism (CD) spectroelectrochemistry is used to determine the extent of singly occupied molecular orbital delocalization in mixed-valence multinuclear complexes, specifically the mixed-valence (RuRuIII)-Ru-II states of the four diastereoisomers of [(Ru(bpy)(2))(2)(bpt)](3+) [1; bpy =

  12. Probing electronic coupling between adenine bases in RNA strands from synchrotron radiation circular dichroism experiments

    DEFF Research Database (Denmark)

    Nielsen, Lisbeth Munksgård; Hoffmann, Søren Vrønning; Nielsen, Steen Brøndsted

    2012-01-01

    Circular dichroism spectra (176–330 nm) of RNA adenine oligomers, (rA)n (n = 1–10, 12, 15, and 20), reveal electronic coupling between two bases in short strands. The number of interacting bases in long strands is more and larger than that reported previously for the corresponding DNA strands....

  13. Optical absorption and magnetic circular dichroism spectra of thiouracils: a quantum mechanical study in solution

    DEFF Research Database (Denmark)

    Martínez-Fernández, L.; Fahleson, Tobias; Norman, Patrick

    2017-01-01

    The excited electronic states of 2-thiouracil, 4-thiouracil and 2,4-dithiouracil, the analogues of uracil where the carbonyl oxygens are substituted by sulphur atoms, have been investigated by computing the magnetic circular dichroism (MCD) and one-photon absorption (OPA) spectra at the time...

  14. Chirality Transfer in Magnetic Coordination Complexes Monitored by Vibrational and Electronic Circular Dichroism

    Czech Academy of Sciences Publication Activity Database

    Wu, T.; Zhang, X. P.; You, X. Z.; Li, Y. Z.; Bouř, Petr

    2014-01-01

    Roč. 79, č. 5 (2014), s. 698-707 ISSN 2192-6506 Institutional support: RVO:61388963 Keywords : chirality * circular dichroism * iron * magnetic properties * Schiff bases Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.997, year: 2014

  15. Magnetic Circular X-ray Dichroism Study of Paramagnetic and Anti-Ferromagnetic States in SrFeO3 Using a 10-T Superconducting Magnet

    International Nuclear Information System (INIS)

    Okamoto, J.; Mamiya, K.; Fujimori, S.-I.; Okane, T.; Saitoh, Y.; Muramatsu, Y.; Fujimori, A.; Ishiwata, S.; Takano, M.

    2004-01-01

    Magnetic circular x-ray dichroism (MCXD) measurements in Fe 2p absorption have been done on SrFeO3, which shows a spiral anti-ferromagnetism, by using a 10-T superconducting magnet. Finite MCXD structures have been observed under magnetic field of 8 T even in the paramagnetic and anti-ferromagnetic states. The intensity of the MCXD structure at hv ∼ 710 eV increases linearly as magnetic field increases linearly and the total magnetic moments estimated by MCXD sum rules roughly corresponds to the magnetization measured by SQUID measurements. MCXD study of paramagnetic and/or anti-ferromagnetic samples can be done by using a superconducting magnet that generates a strong magnetic field enough to induce finite magnetization

  16. Electrically tunable polarizer based on 2D orthorhombic ferrovalley materials

    Science.gov (United States)

    Shen, Xin-Wei; Tong, Wen-Yi; Gong, Shi-Jing; Duan, Chun-Gang

    2018-03-01

    The concept of ferrovalley materials has been proposed very recently. The existence of spontaneous valley polarization, resulting from ferromagnetism, in such hexagonal 2D materials makes nonvolatile valleytronic applications realizable. Here, we introduce a new member of ferrovalley family with orthorhombic lattice, i.e. monolayer group-IV monochalcogenides (GIVMs), in which the intrinsic valley polarization originates from ferroelectricity, instead of ferromagnetism. Combining the group theory analysis and first-principles calculations, we demonstrate that, different from the valley-selective circular dichroism in hexagonal lattice, linearly polarized optical selectivity for valleys exists in the new type of ferrovalley materials. On account of the distinctive property, a prototype of electrically tunable polarizer is realized. In the ferrovalley-based polarizer, a laser beam can be optionally polarized in x- or y-direction, depending on the ferrovalley state controlled by external electric fields. Such a device can be further optimized to emit circularly polarized radiation with specific chirality and to realize the tunability for operating wavelength. Therefore, we show that 2D orthorhombic ferrovalley materials are the promising candidates to provide an advantageous platform to realize the polarizer driven by electric means, which is of great importance in extending the practical applications of valleytronics.

  17. Performance of the tariffs of a single-phase electric energy meter, type electronic, operating with non-linear loads; Desempenho tarifario do medidor monofasico de energia eletrica do tipo eletronico operando com cargas nao-lineares

    Energy Technology Data Exchange (ETDEWEB)

    Santos, G.B.; Pinheiro Neto, D.; Lisita, L.R.; Machado, P.C.M.; Oliveira, J.V.M. [Universidade Federal de Goias (UFG), Goiania, GO (Brazil). Escola de Engenharia Eletrica e de Computacao], Emails: guilhermebsantos@gmail.com, daywes@gmail.com, lrlisi-ta@gmail.com, pcesar@eee.ufg.br, joao.eee@gmail.com

    2009-07-01

    This paper analyzes the behavior of a electronic meter of single-phase in the laboratory when it is subjected to a environment with linear loads and nonlinear loads kind residential and commercial. It differs from correlated studies mainly for making use of real loads encountered in day-to-day, rather than as sources of electronic loads how has been observed in the state of the art. The comparison of results is made based on high precision energy pattern developed by virtual instrumentation means.

  18. X-ray magnetic circular dichroism study of epitaxial magnetite ultrathin film on MgO(100)

    Energy Technology Data Exchange (ETDEWEB)

    Liu, W. Q.; Xu, Y. B., E-mail: yongbing.xu@york.ac.uk, E-mail: rzhang@nju.edu.cn [York-Nanjing International Center for Spintronics (YNICS), School of Electronics Science and Engineering, Nanjing University, Nanjing 210093 (China); Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Song, M. Y.; Lin, J. G. [Center for Condensed Matter Sciences, National Taiwan University, Taipei 106, Taiwan (China); Maltby, N. J.; Li, S. P. [Spintronics and Nanodevice Laboratory, Department of Electronics, University of York, York YO10 5DD (United Kingdom); Samant, M. G.; Parkin, S. S. P. [IBM Research Division, Almaden Research Center, San Jose, California 95120 (United States); Bencok, P.; Steadman, Paul; Dobrynin, Alexey [Diamond Light Source, Didcot OX11 0DE (United Kingdom); Zhang, R., E-mail: yongbing.xu@york.ac.uk, E-mail: rzhang@nju.edu.cn [York-Nanjing International Center for Spintronics (YNICS), School of Electronics Science and Engineering, Nanjing University, Nanjing 210093 (China)

    2015-05-07

    The spin and orbital magnetic moments of the Fe{sub 3}O{sub 4} epitaxial ultrathin film synthesized by plasma assisted simultaneous oxidization on MgO(100) have been studied with X-ray magnetic circular dichroism. The ultrathin film retains a rather large total magnetic moment, i.e., (2.73 ± 0.15) μ{sub B}/f.u., which is ∼70% of that for the bulk-like Fe{sub 3}O{sub 4}. A significant unquenched orbital moment up to 0.54 ± 0.05 μ{sub B}/f.u. was observed, which could come from the symmetry breaking at the Fe{sub 3}O{sub 4}/MgO interface. Such sizable orbital moment will add capacities to the Fe{sub 3}O{sub 4}-based spintronics devices in the magnetization reversal by the electric field.

  19. Magnetic field induced directional dichroism of spin waves in multiferroic BiFeO3 at THz frequencies

    Science.gov (United States)

    Nagel, Urmas; Rõõm, T.; Bordács, S.; Kézsmárki, I.; Yi, H. T.; Cheong, S.-W.; Lee, Jun Hee; Fishman, Randy S.

    2015-03-01

    Using far infrared spectroscopy in high magnetic fields we show that spin excitations in BiFeO3 simultaneously interact with the electric and magnetic field components of light resulting in directional dichroism (DD) of absorption. DD in BiFeO3 arises because an applied static magnetic field induces a toroidal moment in the cycloidal spin structure. Strong DD is observed even in the room-temperature state of the material. The results are explained on the microscopic level as an interplay of five different interactions: isotropic exchange couplings between nearest and next nearest neighbors, an easy-axis anisotropy along the ferroelectric polarization, Dzyaloshinskii-Moriya (DM) interaction that creates the cycloid and DM interaction that causes spin canting. Research sponsored by the Estonian Ministry of Education and Research (IUT23-3), Estonian Science Foundation (ETF8703), and U.S. Department of Energy (JL), Office of Science, Materials Sciences and Engineering Division (RF and JL) and Office of Basis En.

  20. Analysis of binding interaction between the natural apocarotenoid bixin and human serum albumin by circular dichroism and fluorescence spectroscopy.

    Science.gov (United States)

    Zsila, Ferenc; Molnár, Péter; Deli, József

    2005-06-01

    Bixin is an important, pharmacologically active dietary cis-carotenoid, but its interaction with potential macromolecular targets is completely unexplored. This work was aimed to study the binding of bixin to human serum albumin (HSA), the most abundant protein in blood plasma. Circular dichroism (CD) spectroscopy in combination with UV/VIS absorption spectroscopy and fluorescence quenching techniques were applied. Appearance of induced CD bands in the UV- and VIS-absorption spectral regions indicated the formation of non-covalent carotenoid-albumin complexes. Shape and spectral position of the extrinsic Cotton effects suggested the binding of a single bixin molecule to HSA in chiral conformation. Scatchard and non-linear regression analyses of CD titration data resulted in similar values for the association constant (Ka = 6.6 and 4.6x10(5) M(-1), resp.) and for the number of binding sites (n = 1). The binding interaction was independently confirmed by fluorescence-quenching experiment from which the binding parameters were also calculated. CD Displacement measurements performed with marker ligands established that the main drug binding sites of HSA are not involved in binding of bixin. Palmitic acid decreased the amplitude of the induced CD bands suggesting a common albumin binding site for bixin and long-chain fatty acids. The above data indicate that HSA plays a significant role in the plasma transportation of bixin and related dietary carboxylic acid carotenoids.

  1. Determination of the 20 MeV linear accelerator, new injector for the synchrotron Saturne. Choice of the electrical and dynamical particle parameters

    International Nuclear Information System (INIS)

    Prome, M.

    1968-12-01

    This report takes place in the general determination of the 20 MeV linear accelerator which will be the new Saturne injector; it deals with particle dynamics. Starting from beam requirements at the output of the linac, cells lengths with variable synchronous phase angle, buncher and de-buncher parameters, beam emittances at the output in several phase spaces are successively determined. (author) [fr

  2. Structural and electrical characterization of diamond films deposited in nitrogen/oxygen containing gas mixture by linear antenna microwave CVD process

    Czech Academy of Sciences Publication Activity Database

    Vojs, Marian; Varga, Marián; Babchenko, Oleg; Ižák, Tibor; Mikolášek, M.; Marton, M.; Kromka, Alexander

    2014-01-01

    Roč. 312, SEP (2014), s. 226-230 ISSN 0169-4332 R&D Projects: GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:68378271 Keywords : pulsed linear antenna microwave chemical vapor deposition * nanocrystalline diamond * Raman spectroscopy * admittance spectroscopy * n-type conductive NCD Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.711, year: 2014

  3. Nuclear-Spin-Induced Circular Dichroism in the Infrared Region for Liquids.

    Science.gov (United States)

    Chen, Fang; Yao, Guo-hua; Zhang, Zhen-lin; Liu, Fan-chen; Chen, Dong-ming

    2015-06-22

    Recently, the nuclear-spin-induced optical rotation (NSOR) and circular dichroism (NSCD) for liquids were discovered and extensively studied and developed. However, so far, nuclear-spin-induced magnetic circular dichroism in the IR region (IR-NSCD) has not been explored, even though all polyatomic molecules exhibit extensive IR spectra. Herein, IR-NSCD is proposed and discussed theoretically. The results indicate that in favorable conditions the IR-NSCD angle may be much larger than the NSOR angle in the UV/Vis region due to a vibrational resonance effect and can be measurable by using the NSOR experiment scheme. IR-NSCD can automatically combine and give NMR spectra and IRCD spectra of the nuclear spin prepolarized samples in liquids, which, in principle, could be developed to become a unique, novel analytical tool. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Linear gate

    International Nuclear Information System (INIS)

    Suwono.

    1978-01-01

    A linear gate providing a variable gate duration from 0,40μsec to 4μsec was developed. The electronic circuity consists of a linear circuit and an enable circuit. The input signal can be either unipolar or bipolar. If the input signal is bipolar, the negative portion will be filtered. The operation of the linear gate is controlled by the application of a positive enable pulse. (author)

  5. Circular dichroism spectroscopy reveals invariant conformation of guanine runs in DNA

    Czech Academy of Sciences Publication Activity Database

    Kypr, Jaroslav; Vorlíčková, Michaela

    2002-01-01

    Roč. 67, 4/5 (2002), s. 275-277 ISSN 0006-3525 R&D Projects: GA AV ČR IAA5004802; GA ČR GA301/01/0590; GA ČR GA204/01/0561 Institutional research plan: CEZ:AV0Z5004920 Keywords : circular dichroism * spectroscopy * DNA Subject RIV: BO - Biophysics Impact factor: 2.372, year: 2002

  6. Circular Dichroism is Sensitive to Monovalent Cation Binding in Monensin Complexes

    Czech Academy of Sciences Publication Activity Database

    Nedzhib, A.; Kessler, Jiří; Bouř, Petr; Gyurcsik, B.; Pantcheva, I.

    2016-01-01

    Roč. 28, č. 5 (2016), s. 420-428 ISSN 0899-0042 R&D Projects: GA ČR GA15-09072S; GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : monovalent polyether ionophore * metal complexes * synchrotron radiation circular dichroism * time-dependent density functional theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.956, year: 2016

  7. Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons

    Czech Academy of Sciences Publication Activity Database

    Kaminský, Jakub; Chalupský, Jakub; Štěpánek, P.; Kříž, Jan; Bouř, Petr

    2017-01-01

    Roč. 121, č. 47 (2017), s. 9064-9073 ISSN 1089-5639 R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA16-05935S; GA ČR(CZ) GA16-00270S Institutional support: RVO:61388963 Keywords : magnetic circular dichroism * polycyclic aromatic hydrocarbons * DFT Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.847, year: 2016

  8. MICROFLUIDIC MIXERS FOR THE INVESTIGATION OF PROTEIN FOLDING USING SYNCHROTRON RADIATION CIRCULAR DICHROISM SPECTROSCOPY

    International Nuclear Information System (INIS)

    Kane, A; Hertzog, D; Baumgartel, P; Lengefeld, J; Horsley, D; Schuler, B; Bakajin, O

    2006-01-01

    The purpose of this study is to design, fabricate and optimize microfluidic mixers to investigate the kinetics of protein secondary structure formation with Synchrotron Radiation Circular Dichroism (SRCD) spectroscopy. The mixers are designed to rapidly initiate protein folding reaction through the dilution of denaturant. The devices are fabricated out of fused silica, so that they are transparent in the UV. We present characterization of mixing in the fabricated devices, as well as the initial SRCD data on proteins inside the mixers

  9. Computer programs to assist in high resolution thermal denaturation and circular dichroism studies on nucleic acids

    Science.gov (United States)

    Goodman, Thomas C.; Hardies, Stephen C.; Cortez, Carlos; Hillen, Wolfgang

    1981-01-01

    Computer programs are described that direct the collection, processing, and graphical display of numerical data obtained from high resolution thermal denaturation (1-3) and circular dichroism (4) studies. Besides these specific applications, the programs may also be useful, either directly or as programming models, in other types of spectrophotometric studies employing computers, programming languages, or instruments similar to those described here (see Materials and Methods). PMID:7335498

  10. Bulk and surface effects in x-ray magnetic circular dichroism of iron clusters

    Czech Academy of Sciences Publication Activity Database

    Šipr, Ondřej; Ebert, H.

    2003-01-01

    Roč. 53, č. 1 (2003), s. 55-62 ISSN 0011-4626. [Symposium on Surface Physics /9./. Třešt', 02.09.2002-06.09.2002] R&D Projects: GA ČR GA202/02/0841 Institutional research plan: CEZ:AV0Z1010914 Keywords : x-ray magnetic circular dichroism * clusters * spin-polarized relativistic KKR Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.263, year: 2003

  11. On the magnetic circular dichroism of benzene. A density-functional study

    Czech Academy of Sciences Publication Activity Database

    Kaminský, Jakub; Kříž, Jan; Bouř, Petr

    2017-01-01

    Roč. 146, č. 14 (2017), č. článku 144301. ISSN 0021-9606 R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : magnetic circular dichroism * benzene * DFT Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 2.965, year: 2016

  12. Soft X-ray magnetic circular dichroism study of UFe2

    International Nuclear Information System (INIS)

    Okane, T.; Takeda, Y.; Fujimori, S.-I.; Terai, K.; Saitoh, Y.; Muramatsu, Y.; Fujimori, A.; Haga, Y.; Yamamoto, E.; Onuki, Y.

    2006-01-01

    Soft X-ray magnetic circular dichroism has been measured at the U N 4,5 and Fe L 2,3 absorption edges of ferromagnetic UFe 2 . The orbital and spin magnetic moments of U 5f and Fe 3d electrons are evaluated by a sum-rule analysis of the XMCD data. It is confirmed that the U 5f orbital moment is parallel to the Fe 3d spin moment

  13. Circular dichroism of luminous energy, induced by the dissipation in light scattering by aligned atoms

    International Nuclear Information System (INIS)

    Agre, M.Ya.

    1996-01-01

    A compact expression for the cross section of light scattering by aligned atomic systems is derived. It is shown that in above-threshold or resonant scattering, when the channel of luminous energy dissipation is open, circular dichroism effects can be observed in the angular distribution and the degree of polarization of the scattered light. In such cases circular polarization of the scattered light is also induced when the incident light has no circular polarization

  14. Circular magnetic dichroism of the Fa center adsorption in KCl doped with Li and Na

    International Nuclear Information System (INIS)

    Baldacchini, G.; Botti, S.; Grassano, U.M.

    1990-01-01

    The spin-orbit structure of F A in KCl:Li and KCl:Na have been studied by means of the magnetic circular dichroism. Due to their C 4V , symmetry the F A centers have two different spin-orbit parameters, Δ * and Δ * , which only in the KCl:Li case follow the relation: Δ * F A centers have been determined using the method of moment

  15. Resolving Electronic Transitions in Synthetic Fluorescent Protein Chromophores by Magnetic Circular Dichroism

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, P.; Cowie, T. Y.; Šafařík, Martin; Šebestík, Jaroslav; Pohl, Radek; Bouř, Petr

    2016-01-01

    Roč. 17, č. 15 (2016), s. 2348-2354 ISSN 1439-4235 R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S Institutional support: RVO:61388963 Keywords : density functional calculations * fluorescence protein chromophores * magnetic circular dichroism * organic synthesis * spectral simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.075, year: 2016

  16. Linearization Method and Linear Complexity

    Science.gov (United States)

    Tanaka, Hidema

    We focus on the relationship between the linearization method and linear complexity and show that the linearization method is another effective technique for calculating linear complexity. We analyze its effectiveness by comparing with the logic circuit method. We compare the relevant conditions and necessary computational cost with those of the Berlekamp-Massey algorithm and the Games-Chan algorithm. The significant property of a linearization method is that it needs no output sequence from a pseudo-random number generator (PRNG) because it calculates linear complexity using the algebraic expression of its algorithm. When a PRNG has n [bit] stages (registers or internal states), the necessary computational cost is smaller than O(2n). On the other hand, the Berlekamp-Massey algorithm needs O(N2) where N(≅2n) denotes period. Since existing methods calculate using the output sequence, an initial value of PRNG influences a resultant value of linear complexity. Therefore, a linear complexity is generally given as an estimate value. On the other hand, a linearization method calculates from an algorithm of PRNG, it can determine the lower bound of linear complexity.

  17. Fluorescence-Detected Linear Dichroism of Wood Cell Walls in Juvenile Serbian Spruce: Estimation of Compression Wood Severity

    Czech Academy of Sciences Publication Activity Database

    Savić, A.; Mitrović, A.; Donaldson, L.; Radosavljević, J.S.; Pristov, J.B.; Steinbach, Gabor; Garab, G.; Radotić, K.

    2016-01-01

    Roč. 22, č. 2 (2016), s. 361-367 ISSN 1431-9276 R&D Projects: GA MŠk EE2.3.30.0059; GA MŠk ED2.1.00/03.0110; GA MŠk(CZ) LO1416 Institutional support: RVO:61388971 Keywords : cell wall * cellulose fibrils * compression wood severity Subject RIV: EE - Microbiology, Virology Impact factor: 1.891, year: 2016

  18. Synchrotron Radiation Linear Dichroism (SRLD) and Time Dependent Density Functional Theory (TD-DFT) Calculations on Dihydroxy-Anthraquinones

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Spanget-Larsen, Jens

    SRLD spectra of Quinizarin, Anthrarufin, and Chrysazin partially aligned in stretched polyethylene were measured at the ASTRID synchrotron UV1 beamline (ISA, Aarhus University), yielding absorbance and polarization data up to 57000 cm-1. The observed absorption bands were assigned to electronic t...

  19. Synchrotron Radiation Linear Dichroism (SRLD) and Time Dependent Density Functional Theory (TD-DFT) Calculations on Dihydroxy-Anthraquinones

    DEFF Research Database (Denmark)

    Nguyen, Duy Duc; Spanget-Larsen, Jens

    SRLD spectra of Quinizarin, Anthrarufin, and Chrysazin partially aligned in stretched polyethylene were measured at the ASTRID synchrotron UV1 beamline (ISA, Aarhus University), yielding absorbance and polarization data up to 57000 cm-1. The observed absorption bands were assigned to electronic...

  20. Simulación de sistemas eléctricos con cargas no lineales y variantes en el tiempo Simulation of electric systems with non-linear and time-variant loads

    Directory of Open Access Journals (Sweden)

    William Carvajal Carreño

    2011-06-01

    Full Text Available En este artículo se propone una metodología, implementada en un programa de computador por medio de una interfase gráfica con el usuario (GUI, que permite simular redes eléctricas con elementos no lineales (principalmente convertidores de potencia, tanto en el dominio del tiempo como en el dominio de la frecuencia. El método propuesto combina dos tipos de análisis en una herramienta flexible, de forma que se puedan aprovechar las ventajas de cada uno de ellos, y que permita analizar sistemas lineales y no lineales en el dominio del tiempo, sistemas lineales en el dominio de la frecuencia y sistemas mixtos utilizando este método híbrido. La herramienta es un instrumento de cálculo versátil y completo que puede ser usado de una manera sencilla, para los estudios de análisis de propagación de armónicos en las redes eléctricas. Se presentan ejemplos extraídos de la bibliografía utilizada en cursos de sistemas de potencia, circuitos eléctricos y electrónica de potencia, así como sistemas de prueba para análisis de cargas no lineales o variantes en el tiempo, generados como marco de referencia para las simulaciones de armónicos. Se analizan los resultados y se hacen observaciones acerca de las características de convergencia y estabilidad algorítmica del método propuesto. Dada la complejidad y carga computacional del análisis del método híbrido propuesto, se han seleccionado modelos de elementos, modelos de los componentes del sistema y algoritmos apropiados, para que la solución del problema se realice dentro de límites razonables de tiempo de simulación y consumo de recursos del equipo de cómputo.This paper deals with a methodology implemented in a computer program with a Graphic User Interface (GUI that allows us to simulate electrical networks (mainly power converters with non linear elements. The proposed approach mixes two analysis types in a flexible tool, in that way, we can take advantage of the features of each

  1. Linear algebra

    CERN Document Server

    Said-Houari, Belkacem

    2017-01-01

    This self-contained, clearly written textbook on linear algebra is easily accessible for students. It begins with the simple linear equation and generalizes several notions from this equation for the system of linear equations and introduces the main ideas using matrices. It then offers a detailed chapter on determinants and introduces the main ideas with detailed proofs. The third chapter introduces the Euclidean spaces using very simple geometric ideas and discusses various major inequalities and identities. These ideas offer a solid basis for understanding general Hilbert spaces in functional analysis. The following two chapters address general vector spaces, including some rigorous proofs to all the main results, and linear transformation: areas that are ignored or are poorly explained in many textbooks. Chapter 6 introduces the idea of matrices using linear transformation, which is easier to understand than the usual theory of matrices approach. The final two chapters are more advanced, introducing t...

  2. Electronic structure and x-ray magnetic circular dichroism in Mn-doped topological insulators Bi2Se3 and Bi2Te3

    Science.gov (United States)

    Antonov, V. N.; Bekenov, L. V.; Uba, S.; Ernst, A.

    2017-12-01

    We studied the structural, electronic, and magnetic properties of Mn-doped topological insulators Bi2Se3 and Bi2Te3 within the density-functional theory (DFT) using the generalized gradient approximation (GGA) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism at the Mn K and L2 ,3 edges were investigated theoretically from first principles. The calculated results are in good agreement with experimental data. The complex fine structure of the Mn L2 ,3 XAS in Mn-doped Bi2Se3 and Bi2Te3 was found to be not compatible with a pure Mn3 + valency state. Its interpretation demands mixed valent states. The theoretically calculated x-ray emission spectra at the Mn K and L2 ,3 edges are also presented and analyzed.

  3. Linear algebra

    CERN Document Server

    Stoll, R R

    1968-01-01

    Linear Algebra is intended to be used as a text for a one-semester course in linear algebra at the undergraduate level. The treatment of the subject will be both useful to students of mathematics and those interested primarily in applications of the theory. The major prerequisite for mastering the material is the readiness of the student to reason abstractly. Specifically, this calls for an understanding of the fact that axioms are assumptions and that theorems are logical consequences of one or more axioms. Familiarity with calculus and linear differential equations is required for understand

  4. Linear algebra

    CERN Document Server

    Liesen, Jörg

    2015-01-01

    This self-contained textbook takes a matrix-oriented approach to linear algebra and presents a complete theory, including all details and proofs, culminating in the Jordan canonical form and its proof. Throughout the development, the applicability of the results is highlighted. Additionally, the book presents special topics from applied linear algebra including matrix functions, the singular value decomposition, the Kronecker product and linear matrix equations. The matrix-oriented approach to linear algebra leads to a better intuition and a deeper understanding of the abstract concepts, and therefore simplifies their use in real world applications. Some of these applications are presented in detailed examples. In several ‘MATLAB-Minutes’ students can comprehend the concepts and results using computational experiments. Necessary basics for the use of MATLAB are presented in a short introduction. Students can also actively work with the material and practice their mathematical skills in more than 300 exerc...

  5. Linear Models

    CERN Document Server

    Searle, Shayle R

    2012-01-01

    This 1971 classic on linear models is once again available--as a Wiley Classics Library Edition. It features material that can be understood by any statistician who understands matrix algebra and basic statistical methods.

  6. Linear algebra

    CERN Document Server

    Berberian, Sterling K

    2014-01-01

    Introductory treatment covers basic theory of vector spaces and linear maps - dimension, determinants, eigenvalues, and eigenvectors - plus more advanced topics such as the study of canonical forms for matrices. 1992 edition.

  7. Linear programming

    CERN Document Server

    Solow, Daniel

    2014-01-01

    This text covers the basic theory and computation for a first course in linear programming, including substantial material on mathematical proof techniques and sophisticated computation methods. Includes Appendix on using Excel. 1984 edition.

  8. Extended linear chain compounds

    CERN Document Server

    Linear chain substances span a large cross section of contemporary chemistry ranging from covalent polymers, to organic charge transfer com­ plexes to nonstoichiometric transition metal coordination complexes. Their commonality, which coalesced intense interest in the theoretical and exper­ imental solid state physics/chemistry communities, was based on the obser­ vation that these inorganic and organic polymeric substrates exhibit striking metal-like electrical and optical properties. Exploitation and extension of these systems has led to the systematic study of both the chemistry and physics of highly and poorly conducting linear chain substances. To gain a salient understanding of these complex materials rich in anomalous aniso­ tropic electrical, optical, magnetic, and mechanical properties, the conver­ gence of diverse skills and talents was required. The constructive blending of traditionally segregated disciplines such as synthetic and physical organic, inorganic, and polymer chemistry, crystallog...

  9. Linear network theory

    CERN Document Server

    Sander, K F

    1964-01-01

    Linear Network Theory covers the significant algebraic aspect of network theory, with minimal reference to practical circuits. The book begins the presentation of network analysis with the exposition of networks containing resistances only, and follows it up with a discussion of networks involving inductance and capacity by way of the differential equations. Classification and description of certain networks, equivalent networks, filter circuits, and network functions are also covered. Electrical engineers, technicians, electronics engineers, electricians, and students learning the intricacies

  10. Computation of magnetic circular dichroism by sum-over-states summations

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, Petr; Bouř, Petr

    2013-01-01

    Roč. 34, č. 18 (2013), s. 1531-1539 ISSN 0192-8651 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033; GA ČR GA13-03978S Grant - others:AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : time-dependent * density functional theory * sum over states * spectroscopy * magnetic circular dichroism * origin dependence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.601, year: 2013

  11. Conformational analysis and vibrational circular dichroism study of a chiral metallocene catalyst

    Science.gov (United States)

    Merten, Christian; Amkreutz, Marc; Hartwig, Andreas

    2010-04-01

    Metallocene complexes are an important type of catalysts for several applications. In the present work, the Ziegler-Natta-catalyst dichloro[( S, S)-ethylenebis(4,5,6,7-tetrahydro-1-indenyl)] zirconium(IV) is investigated using vibrational circular dichroism (VCD) spectroscopy and density functional theory (DFT) calculations. Furthermore the influence of a different central ion as well as different counterions is examined theoretically. From the comparison of the experimental and calculated VCD spectra, it is concluded that the metal ion acts as a placeholder whose function is just to keep the conformation of the ligand in a chiral shape.

  12. Ab initio calculations of anharmonic vibrational circular dichroism intensities of trans-2,3-dideuteriooxirane

    DEFF Research Database (Denmark)

    Bak, KL; Bludsky, O.; Jorgensen, P

    1995-01-01

    A priori theory is derived for anharmonic calculations of vibrational circular dichroism (VCD). The anharmonic VCD expression is gauge origin independent and reduce to the magnetic field perturbation theory expression in the double-harmonic approximation. The theory has been implemented using...... for the atomic axial tensors and using second-order Moller-Plesset theory for the atomic polar tensors and the force fields, The changes of the vibrational rotatory strengths from anharmonicities are small, and do not explain the previously observed large discrepancies between the double-harmonic results...

  13. Imaging photoelectron circular dichroism of chiral molecules by femtosecond multiphoton coincidence detection

    Energy Technology Data Exchange (ETDEWEB)

    Lehmann, C. Stefan; Ram, N. Bhargava; Janssen, Maurice H. M., E-mail: m.h.m.janssen@vu.nl [LaserLaB Amsterdam, VU University Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Powis, Ivan [School of Chemistry, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2013-12-21

    Here, we provide a detailed account of novel experiments employing electron-ion coincidence imaging to discriminate chiral molecules. The full three-dimensional angular scattering distribution of electrons is measured after photoexcitation with either left or right circular polarized light. The experiment is performed using a simplified photoelectron-photoion coincidence imaging setup employing only a single particle imaging detector. Results are reported applying this technique to enantiomers of the chiral molecule camphor after three-photon ionization by circularly polarized femtosecond laser pulses at 400 nm and 380 nm. The electron-ion coincidence imaging provides the photoelectron spectrum of mass-selected ions that are observed in the time-of-flight mass spectra. The coincident photoelectron spectra of the parent camphor ion and the various fragment ions are the same, so it can be concluded that fragmentation of camphor happens after ionization. We discuss the forward-backward asymmetry in the photoelectron angular distribution which is expressed in Legendre polynomials with moments up to order six. Furthermore, we present a method, similar to one-photon electron circular dichroism, to quantify the strength of the chiral electron asymmetry in a single parameter. The circular dichroism in the photoelectron angular distribution of camphor is measured to be 8% at 400 nm. The electron circular dichroism using femtosecond multiphoton excitation is of opposite sign and about 60% larger than the electron dichroism observed before in near-threshold one-photon ionization with synchrotron excitation. We interpret our multiphoton ionization as being resonant at the two-photon level with the 3s and 3p Rydberg states of camphor. Theoretical calculations are presented that model the photoelectron angular distribution from a prealigned camphor molecule using density functional theory and continuum multiple scattering X alpha photoelectron scattering calculations

  14. X-ray magnetic circular dichroism discloses surface spins correlation in maghemite hollow nanoparticles

    Science.gov (United States)

    Bonanni, Valentina; Basini, Martina; Peddis, Davide; Lascialfari, Alessandro; Rossi, Giorgio; Torelli, Piero

    2018-01-01

    The spin-spin correlations in hollow (H) and full (F) maghemite nanoparticles (NPs) have been studied by X-ray magnetic circular dichroism (XMCD). An unexpected XMCD signal was detected and analyzed under the application of a small field (μ0H = 160 Oe) and at remanence for both F and H NPs. Clear differences in the magnitude and in the lineshape of the XMCD spectra between F and H NPs emerged. By comparing XMCD measurements performed with a variable degree of surface sensitivity, we were able to address the specific role played by the surface spins in the magnetism of the NPs.

  15. Assignment of absolute stereostructures through quantum mechanics electronic and vibrational circular dichroism calculations.

    Science.gov (United States)

    Dai, Peng; Jiang, Nan; Tan, Ren-Xiang

    2016-01-01

    Elucidation of absolute configuration of chiral molecules including structurally complex natural products remains a challenging problem in organic chemistry. A reliable method for assigning the absolute stereostructure is to combine the experimental circular dichroism (CD) techniques such as electronic and vibrational CD (ECD and VCD), with quantum mechanics (QM) ECD and VCD calculations. The traditional QM methods as well as their continuing developments make them more applicable with accuracy. Taking some chiral natural products with diverse conformations as examples, this review describes the basic concepts and new developments of QM approaches for ECD and VCD calculations in solution and solid states.

  16. Linear regression

    CERN Document Server

    Olive, David J

    2017-01-01

    This text covers both multiple linear regression and some experimental design models. The text uses the response plot to visualize the model and to detect outliers, does not assume that the error distribution has a known parametric distribution, develops prediction intervals that work when the error distribution is unknown, suggests bootstrap hypothesis tests that may be useful for inference after variable selection, and develops prediction regions and large sample theory for the multivariate linear regression model that has m response variables. A relationship between multivariate prediction regions and confidence regions provides a simple way to bootstrap confidence regions. These confidence regions often provide a practical method for testing hypotheses. There is also a chapter on generalized linear models and generalized additive models. There are many R functions to produce response and residual plots, to simulate prediction intervals and hypothesis tests, to detect outliers, and to choose response trans...

  17. Linear algebra

    CERN Document Server

    Edwards, Harold M

    1995-01-01

    In his new undergraduate textbook, Harold M Edwards proposes a radically new and thoroughly algorithmic approach to linear algebra Originally inspired by the constructive philosophy of mathematics championed in the 19th century by Leopold Kronecker, the approach is well suited to students in the computer-dominated late 20th century Each proof is an algorithm described in English that can be translated into the computer language the class is using and put to work solving problems and generating new examples, making the study of linear algebra a truly interactive experience Designed for a one-semester course, this text adopts an algorithmic approach to linear algebra giving the student many examples to work through and copious exercises to test their skills and extend their knowledge of the subject Students at all levels will find much interactive instruction in this text while teachers will find stimulating examples and methods of approach to the subject

  18. Electric theory

    International Nuclear Information System (INIS)

    Gong, Ha Seong

    2006-02-01

    This book explains electric theory which is divided into four chapters. The first chapter includes electricity and material, electric field, capacitance, magnetic field and electromagnetic force, inductance. The second chapter mentions electronic circuit analysis, electric resistance,heating and power, chemical activity on current and battery with electrolysis. The third chapter deals with an alternating current circuit about the basics of an AC circuit, operating of resistance, inductance and capacitance, series circuit and parallel circuit of PLC, an alternating current circuit, Three-phase Alternating current, two terminal pair network and voltage and current of non-linearity circuit. The last explains transient phenomena of RC series circuit, RL series circuit, transient phenomena of an alternating current circuit and transient phenomena of RLC series circuit.

  19. Generation of circularly polarized radiation from a compact plasma-based extreme ultraviolet light source for tabletop X-ray magnetic circular dichroism studies

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Daniel; Rudolf, Denis, E-mail: d.rudolf@fz-juelich.de; Juschkin, Larissa [RWTH Aachen University, Experimental Physics of EUV, Steinbachstraße 15, 52074 Aachen (Germany); Forschungszentrum Jülich GmbH, Peter Grünberg Institut (PGI-9), JARA-FIT, 52425 Jülich (Germany); Weier, Christian; Adam, Roman; Schneider, Claus M. [Forschungszentrum Jülich GmbH, Peter Grünberg Institut (PGI-6), JARA-FIT, 52425 Jülich (Germany); Winkler, Gerrit; Frömter, Robert [Institut für Angewandte Physik, Universität Hamburg, Jungiusstraße 11, 20355 Hamburg (Germany); Danylyuk, Serhiy [RWTH Aachen University, Chair for Technology of Optical Systems, JARA-FIT, Steinbachstraße 15, 52074 Aachen (Germany); Bergmann, Klaus [Fraunhofer Institute for Laser Technology, Steinbachstrasse 15, 52074 Aachen (Germany); Grützmacher, Detlev [Forschungszentrum Jülich GmbH, Peter Grünberg Institut (PGI-9), JARA-FIT, 52425 Jülich (Germany)

    2014-10-15

    Generation of circularly polarized light in the extreme ultraviolet (EUV) spectral region (about 25 eV–250 eV) is highly desirable for applications in spectroscopy and microscopy but very challenging to achieve in a small-scale laboratory. We present a compact apparatus for generation of linearly and circularly polarized EUV radiation from a gas-discharge plasma light source between 50 eV and 70 eV photon energy. In this spectral range, the 3p absorption edges of Fe (54 eV), Co (60 eV), and Ni (67 eV) offer a high magnetic contrast often employed for magneto-optical and electron spectroscopy as well as for magnetic imaging. We simulated and designed an instrument for generation of linearly and circularly polarized EUV radiation and performed polarimetric measurements of the degree of linear and circular polarization. Furthermore, we demonstrate first measurements of the X-ray magnetic circular dichroism at the Co 3p absorption edge with a plasma-based EUV light source. Our approach opens the door for laboratory-based, element-selective spectroscopy of magnetic materials and spectro-microscopy of ferromagnetic domains.

  20. Plications of extended ultra-violet circular dichroism spectroscopy in biology and medicine.

    Science.gov (United States)

    Jones, Gareth R; Clarke, David T

    2004-01-01

    Deep ultra-violet circular dichroism is fast becoming an important technique in structural biology. The exponential increase in the number of protein structures deposited in the Protein Data Bank together with programs that extract protein secondary structure from atomic coordinates and the advancement of the software to analyse circular dichroic spectra, have revolutionised the technique. In addition, the extended short wavelength data afforded by synchrotron radiation is set to have a major impact on the development of the area. We have selected three diverse areas of research and development in the biomedical sciences to illustrate the ubiquity of the technique for future applications in the area of biomedical research. For example, the high flux of synchrotron radiation has provided a gold standard for the assay of the lipoprotein HDL in serum which has been proven to reverse the effects of coronary heart disease. In a second example, the high flux of synchrotron radiation enables the recording of millisecond data during the conformational changes in proteins over their spectrum, mapping out changes to protein secondary structure and thus providing absolute structural measurements in the millisecond time regime. In the third example, subtle conformational changes are interpreted from the extended CD spectra on protein drug binding, distinguishing between induced binding effects and the conformational changes in the target protein. The strengths and weaknesses of extended ultra-violet circular dichroism using synchrotron radiation are discussed using these examples as a template.

  1. Photoluminescence and magnetic circular dichroism of IrQ(ppy){sub 2}-5Cl

    Energy Technology Data Exchange (ETDEWEB)

    Polosan, S., E-mail: Spol68@yahoo.com [National Institute of Materials Physics, Bucharest-Magurele 077125 (Romania); Faculty of Engineering, Kyoto Sangyo University, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan); Radu, I.C. [National Institute of Materials Physics, Bucharest-Magurele 077125 (Romania); Tsuboi, T. [Faculty of Engineering, Kyoto Sangyo University, Kamigamo, Kita-ku, Kyoto 603-8555 (Japan)

    2012-04-15

    Photoluminescence and magnetic circular dichroism of the IrQ(ppy){sub 2}-5Cl compound were investigated between 15 and 295 K. These results have been compared with the output files obtained from Density Functional Theory by using the Gaussian 03W software and some additional packages. The experimental results confirm the first triplet state absorption which arises from d to {pi}{sub Q} transition. The temperature dependence photoluminescence have shown a small interaction with the polystyrene, used for dispersion of IrQ(ppy){sub 2}-5Cl compound. The green and red phosphorescence have the same temperature dependence. The MCD spectra, especially at 15 K, reveals the main transitions involved in the Metal-to-Ligand Charge Transfer processes from the Ir towards the two ligands, phenylpyridine and quinoline, respectively. - Highlights: Black-Right-Pointing-Pointer Mixed-ligand of IrQ(ppy){sub 2}-5Cl synthesis with green and red phosphorescence. Black-Right-Pointing-Pointer Photoluminescence and magnetic circular dichroism measurements from 15 to 295 K. Black-Right-Pointing-Pointer Experimental results have been compared with DFT theoretical calculations. Black-Right-Pointing-Pointer Triplet state which arises from d to {pi}{sub Q} transition was experimentally confirmed. Black-Right-Pointing-Pointer Green and red phosphorescence have the same temperature dependence.

  2. Bright circularly polarized soft X-ray high harmonics for X-ray magnetic circular dichroism.

    Science.gov (United States)

    Fan, Tingting; Grychtol, Patrik; Knut, Ronny; Hernández-García, Carlos; Hickstein, Daniel D; Zusin, Dmitriy; Gentry, Christian; Dollar, Franklin J; Mancuso, Christopher A; Hogle, Craig W; Kfir, Ofer; Legut, Dominik; Carva, Karel; Ellis, Jennifer L; Dorney, Kevin M; Chen, Cong; Shpyrko, Oleg G; Fullerton, Eric E; Cohen, Oren; Oppeneer, Peter M; Milošević, Dejan B; Becker, Andreas; Jaroń-Becker, Agnieszka A; Popmintchev, Tenio; Murnane, Margaret M; Kapteyn, Henry C

    2015-11-17

    We demonstrate, to our knowledge, the first bright circularly polarized high-harmonic beams in the soft X-ray region of the electromagnetic spectrum, and use them to implement X-ray magnetic circular dichroism measurements in a tabletop-scale setup. Using counterrotating circularly polarized laser fields at 1.3 and 0.79 µm, we generate circularly polarized harmonics with photon energies exceeding 160 eV. The harmonic spectra emerge as a sequence of closely spaced pairs of left and right circularly polarized peaks, with energies determined by conservation of energy and spin angular momentum. We explain the single-atom and macroscopic physics by identifying the dominant electron quantum trajectories and optimal phase-matching conditions. The first advanced phase-matched propagation simulations for circularly polarized harmonics reveal the influence of the finite phase-matching temporal window on the spectrum, as well as the unique polarization-shaped attosecond pulse train. Finally, we use, to our knowledge, the first tabletop X-ray magnetic circular dichroism measurements at the N4,5 absorption edges of Gd to validate the high degree of circularity, brightness, and stability of this light source. These results demonstrate the feasibility of manipulating the polarization, spectrum, and temporal shape of high harmonics in the soft X-ray region by manipulating the driving laser waveform.

  3. A Reference Database for Circular Dichroism Spectroscopy Covering Fold and Secondary Structure Space

    International Nuclear Information System (INIS)

    Lees, J.; Miles, A.; Wien, F.; Wallace, B.

    2006-01-01

    Circular Dichroism (CD) spectroscopy is a long-established technique for studying protein secondary structures in solution. Empirical analyses of CD data rely on the availability of reference datasets comprised of far-UV CD spectra of proteins whose crystal structures have been determined. This article reports on the creation of a new reference dataset which effectively covers both secondary structure and fold space, and uses the higher information content available in synchrotron radiation circular dichroism (SRCD) spectra to more accurately predict secondary structure than has been possible with existing reference datasets. It also examines the effects of wavelength range, structural redundancy and different means of categorizing secondary structures on the accuracy of the analyses. In addition, it describes a novel use of hierarchical cluster analyses to identify protein relatedness based on spectral properties alone. The databases are shown to be applicable in both conventional CD and SRCD spectroscopic analyses of proteins. Hence, by combining new bioinformatics and biophysical methods, a database has been produced that should have wide applicability as a tool for structural molecular biology

  4. A molecular dynamics and circular dichroism study of a novel synthetic antimicrobial peptide

    International Nuclear Information System (INIS)

    Rodina, N P; Yudenko, A N; Terterov, I N; Eliseev, I E

    2013-01-01

    Antimicrobial peptides are a class of small, usually positively charged amphiphilic peptides that are used by the innate immune system to combat bacterial infection in multicellular eukaryotes. Antimicrobial peptides are known for their broad-spectrum antimicrobial activity and thus can be used as a basis for a development of new antibiotics against multidrug-resistant bacteria. The most challengeous task on the way to a therapeutic use of antimicrobial peptides is a rational design of new peptides with enhanced activity and reduced toxicity. Here we report a molecular dynamics and circular dichroism study of a novel synthetic antimicrobial peptide D51. This peptide was earlier designed by Loose et al. using a linguistic model of natural antimicrobial peptides. Molecular dynamics simulation of the peptide folding in explicit solvent shows fast formation of two antiparallel beta strands connected by a beta-turn that is confirmed by circular dichroism measurements. Obtained from simulation amphipatic conformation of the peptide is analysed and possible mechanism of it's interaction with bacterial membranes together with ways to enhance it's antibacterial activity are suggested

  5. Linear programming

    CERN Document Server

    Karloff, Howard

    1991-01-01

    To this reviewer’s knowledge, this is the first book accessible to the upper division undergraduate or beginning graduate student that surveys linear programming from the Simplex Method…via the Ellipsoid algorithm to Karmarkar’s algorithm. Moreover, its point of view is algorithmic and thus it provides both a history and a case history of work in complexity theory. The presentation is admirable; Karloff's style is informal (even humorous at times) without sacrificing anything necessary for understanding. Diagrams (including horizontal brackets that group terms) aid in providing clarity. The end-of-chapter notes are helpful...Recommended highly for acquisition, since it is not only a textbook, but can also be used for independent reading and study. —Choice Reviews The reader will be well served by reading the monograph from cover to cover. The author succeeds in providing a concise, readable, understandable introduction to modern linear programming. —Mathematics of Computing This is a textbook intend...

  6. Uso da regressão linear para estimativa da relação entre a condutividade elétrica e a composição iônica da água de irrigação Use of linear regression to estimate the relationship between electrical conductivity and ionic composition of irrigation water

    Directory of Open Access Journals (Sweden)

    Giorgio M. Ribeiro

    2005-03-01

    Full Text Available Vários estudos vêm sendo realizados ultimamente, com o propósito de se avaliar a qualidade de água de irrigação na região semi-árida do Nordeste brasileiro. Em alguns desses estudos, os autores têm ajustado diversas características químicas, como cálcio, magnésio, sódio e cloreto e soma de cátions, em função da condutividade elétrica (CE através de equações empíricas; porém atenção deve ser dada às variações temporal e espacial dessas variáveis. Objetivou-se, com o presente trabalho, avaliar a influência da fonte, da época e do tipo de solo sobre a condutividade elétrica, em função dos íons da água de irrigação, utilizando-se a regressão linear. Foi utilizado um banco de dados composto por 562 análises, oriundas de 55 propriedades rurais. As determinações químicas feitas nas amostras de águas, foram: pH, CE, Ca2+, Mg2+, Na+, K+, Cl-, HCO3-, CO3(2- e SO4(2-. A partir de janeiro de 1988 realizaram-se amostragens nas propriedades, até 411 dias. O banco de dados foi dividido em 14 épocas de amostragem, três fontes (poço, rio e açude e para 10 solos. Para se comparar as equações ajustadas, empregou-se o teste de identidade de modelo, cujos resultados mostraram que as equações lineares ajustadas com a condutividade elétrica em função dos teores de cálcio, magnésio, potássio, sódio, cloreto, bicarbonato, carbonato e sulfato variaram significativamente com a época de amostragem, a fonte de água e com o tipo de solo.Several studies have been accomplished lately to evaluate irrigation water quality in the semi-arid region of the Northeast Brazil. In some of these studies, the authors have adjusted some chemical characteristics such as calcium, magnesium, sodium, chloride and sum of cations as a function of electrical conductivity (EC through empirical equations, however attention should be given to temporal and spatial variations. In this paper, the influence of water source, time of sampling

  7. Enantioselective semi-preparative HPLC separation of PCB metabolites and their absolute structures determined by electronic and vibrational circular dichroism

    Energy Technology Data Exchange (ETDEWEB)

    Tuan, H.P.; Larsson, C.; Huehnerfuss, H. [Hamburg Univ. (Germany). Inst. fuer Organische Chemie; Hoffmann, F.; Froeba, M. [Giessen Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Bergmann, Aa. [Stockholm Univ. (Sweden). Dept. of Environmental Chemistry

    2004-09-15

    The present paper represents a first result of an ongoing systematic study of atropisomeric methylsulfonyl, methylthionyl, hydroxy, and methoxy metabolites of environmentally most relevant PCBs. This involves semi-preparative enantioselective HPLC separation to obtain pure atropisomers from synthesized PCB metabolite standards, their configuration estimation using the electronic circular dichroism (UV-CD) method and the determination / confirmation of these absolute configurations applying the combined vibrational circular dichroism (VCD) / ab initio approach. The following substances have been investigated: 4-HO-, 4-MeO-, 4-MeS-, 4-MeSO2-, 3-MeS- and 3-MeSO{sub 2}-CB149.

  8. A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption

    DEFF Research Database (Denmark)

    Kaminski, Maciej; Cukras, Janusz; Pecul, Magdalena

    2015-01-01

    We present a computational methodology to calculate the intensity of circular dichroism (CD) in spinforbidden absorption and of circularly polarized phosphorescence (CPP) signals, a manifestation of the optical activity of the triplet–singlet transitions in chiral compounds. The protocol is based...... on the response function formalism and is implemented at the level of time-dependent density functional theory. It has been employed to calculate the spin-forbidden circular dichroism and circularly polarized phosphorescence signals of valence n - p* and n ’ p* transitions, respectively, in several chiral enones...

  9. Linear systems

    CERN Document Server

    Bourlès, Henri

    2013-01-01

    Linear systems have all the necessary elements (modeling, identification, analysis and control), from an educational point of view, to help us understand the discipline of automation and apply it efficiently. This book is progressive and organized in such a way that different levels of readership are possible. It is addressed both to beginners and those with a good understanding of automation wishing to enhance their knowledge on the subject. The theory is rigorously developed and illustrated by numerous examples which can be reproduced with the help of appropriate computation software. 60 exe

  10. Segmented rail linear induction motor

    Science.gov (United States)

    Cowan, Jr., Maynard; Marder, Barry M.

    1996-01-01

    A segmented rail linear induction motor has a segmented rail consisting of a plurality of nonferrous electrically conductive segments aligned along a guideway. The motor further includes a carriage including at least one pair of opposed coils fastened to the carriage for moving the carriage. A power source applies an electric current to the coils to induce currents in the conductive surfaces to repel the coils from adjacent edges of the conductive surfaces.

  11. Segmented rail linear induction motor

    Science.gov (United States)

    Cowan, M. Jr.; Marder, B.M.

    1996-09-03

    A segmented rail linear induction motor has a segmented rail consisting of a plurality of nonferrous electrically conductive segments aligned along a guideway. The motor further includes a carriage including at least one pair of opposed coils fastened to the carriage for moving the carriage. A power source applies an electric current to the coils to induce currents in the conductive surfaces to repel the coils from adjacent edges of the conductive surfaces. 6 figs.

  12. Electrical Characterization of Special Purpose Linear Microcircuits.

    Science.gov (United States)

    1980-05-01

    Other Min. Max. Units Output Voltage VOUT VIN=-4. 2 5V IL5mA,500mA 37-1.300-1.20( V VIN=-41.2 5V IL=5mA, 5OmA VINO -6.25V I,5mA A-150°C I Line regula...IOS1 VIN=-4.25V 1.5 8 A circuit cur- IOS2 VINO -40V 0.05 0.5 A rent I Output voltage VOUT VIN-4.25V RL- 2.b5J;CL After OS1 -1.30-1.200 V recovery...nits Output Voltage VOUT VINO -4.25V IL=5mA,150OmA 3/-1.300-1.200 V VIN= -41.25V IL 5mA,200mA _ _VIN- 6 .2 5V 1L=5mA TA-1500C I/ Line regula- VRLINE

  13. Vitamin E Circular Dichroism Studies: Insights into Conformational Changes Induced by the Solvent’s Polarity

    Directory of Open Access Journals (Sweden)

    Drew Marquardt

    2016-12-01

    Full Text Available We used circular dichroism (CD to study differences in CD spectra between α-, δ-, and methylated-α-tocopherol in solvents with different polarities. CD spectra of the different tocopherol structures differ from each other in intensity and peak locations, which can be attributed to chromanol substitution and the ability to form hydrogen bonds. In addition, each structure was examined in different polarity solvents using the Reichardt index—a measure of the solvent’s ionizing ability, and a direct measurement of solvent–solute interactions. Differences across solvents indicate that hydrogen bonding is a key contributor to CD spectra at 200 nm. These results are a first step in examining the hydrogen bonding abilities of vitamin E in a lipid bilayer.

  14. Absolute configuration of podophyllotoxin related lignans from Bursera fagaroides using vibrational circular dichroism.

    Science.gov (United States)

    Velázquez-Jiménez, René; Torres-Valencia, J Martín; Cerda-García-Rojas, Carlos M; Hernández-Hernández, Juan D; Román-Marín, Luisa U; Manríquez-Torres, J Jesús; Gómez-Hurtado, Mario A; Valdez-Calderón, Alejandro; Motilva, Virginia; García-Mauriño, Sofía; Talero, Elena; Avila, Javier; Joseph-Nathan, Pedro

    2011-12-01

    The ethanol extract from the dried exudate of Bursera fagaroides (Burseraceae) showed significant cytotoxic activity in the HT-29 (human colon adenocarcinoma) test system. The extract provided four podophyllotoxin related lignans, identified as (7'R,8R,8'R)-(-)-deoxypodophyllotoxin (3), (7'R,8R,8'R)-(-)-morelensin (4), (8R,8'R)-(-)-yatein (5), and (8R,8'R)-(-)-5'-desmethoxyyatein (6), whose spectroscopic and chiroptical properties were compared with those of (7R,7'R,8R,8'R)-(-)-podophyllotoxin (1) and its acetyl derivative (2). Their absolute configurations were assigned by comparison of the vibrational circular dichroism spectra of 1 and 3 with those obtained by density functional theory calculations. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. Infrared, Raman and ultraviolet with circular dichroism analysis and theoretical calculations of tedizolid

    Science.gov (United States)

    Michalska, Katarzyna; Mizera, Mikołaj; Lewandowska, Kornelia; Cielecka-Piontek, Judyta

    2016-07-01

    Tedizolid is the newest antibacterial agent from the oxazolidinone class. For its identification, FT-IR (2000-400 cm-1) and Raman (2000-400 cm-1) analyses were proposed. Studies of the enantiomeric purity of tedizolid were conducted based on ultraviolet-circular dichroism (UV-CD) analysis. Density functional theory (DFT) with the B3LYP hybrid functional and 6-311G(2df,2pd) basis set was used for support of the analysis of the FT-IR and Raman spectra. Theoretical methods made it possible to conduct HOMO and LUMO analysis, which was used to determine the charge transfer for two tedizolid enantiomers. Molecular electrostatic potential maps were calculated with the DFT method for both tedizolid enantiomers. The relationship between the results of ab initio calculations and knowledge about the chemical-biological properties of R- and S-tedizolid enantiomers is also discussed.

  16. Mini review: Instrumentation for vibrational circular dichroism spectroscopy, still a role for dispersive instruments.

    Science.gov (United States)

    Keiderling, Timothy A; Lakhani, Ahmed

    2018-03-01

    Vibrational circular dichroism (VCD) has become a standard method for determination of absolute stereochemistry, particularly now that reliable commercial instrumentation has become available. These instruments use a now well-documented Fourier transform infrared-based approach to measure VCD that has virtually displaced initial dispersive infrared-based designs. Nonetheless, many papers have appeared reporting dispersive VCD data, especially for biopolymers. Instrumentation designed with these original methods, particularly after more recent updates optimizing performance in selected spectral regions, has been shown still to have advantages for specific applications. This article presents a mini-review of dispersive VCD instrument designs and includes sample spectra obtained for various biopolymer (particularly peptide) samples. Complementary reviews of Fourier transform-VCD designs are broadly available. © 2018 Wiley Periodicals, Inc.

  17. Effects of Trehalose on Thermodynamic Properties of Alpha-synuclein Revealed through Synchrotron Radiation Circular Dichroism

    Directory of Open Access Journals (Sweden)

    Paolo Ruzza

    2015-05-01

    Full Text Available Many neurodegenerative diseases, including Huntington’s, Alzheimer’s and Parkinson’s diseases, are characterized by protein misfolding and aggregation. The capability of trehalose to interfere with protein misfolding and aggregation has been recently evaluated by several research groups. In the present work, we studied, by means of synchrotron radiation circular dichroism (SRCD spectroscopy, the dose-effect of trehalose on α-synuclein conformation and/or stability to probe the capability of this osmolyte to interfere with α-synuclein’s aggregation. Our study indicated that a low trehalose concentration stabilized α-synuclein folding much better than at high concentration by blocking in vitro α-synuclein’s polymerisation. These results suggested that trehalose could be associated with other drugs leading to a new approach for treating Parkinson’s and other brain-related diseases.

  18. Dichroism, chirality, and polarization eigenstates in Babinet nanoslot-dimer membrane metamaterials

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Chigrin, Dmitry N.; Kremers, Christian

    2013-01-01

    We present a detailed theoretical description of the optical properties of planar metamaterials comprising a metal membrane patterned with openings (microslots) arranged in closely located couples (dimers). Using the covariant coupled-dipole approach, the effective material tensors of such a meta......We present a detailed theoretical description of the optical properties of planar metamaterials comprising a metal membrane patterned with openings (microslots) arranged in closely located couples (dimers). Using the covariant coupled-dipole approach, the effective material tensors...... of such a metamaterial are recovered, and contributions responsible for elliptical dichroism and optical activity are identified. Polarization conversion properties of II-shaped and V-shaped dimers are determined and explained in terms of elliptically polarized eigenmodes of the metamaterial. Good agreement with direct...

  19. Determination of the structure of Langmuir-Blodgett monolayers by infrared dichroism

    International Nuclear Information System (INIS)

    Chollet, Pierre-Alain

    1982-01-01

    We show that the study of absorption and reflexion infrared dichroism is a suitable tool for the determination of the crystallographic structure and of the molecules orientation in Langmuir-Blodgett multilayers. Their thickness range is comprised between 30 and 2000 angstroms. We have worked up a theoretical model which allows a quantitative interpretation of the absorption of thin anisotropic crystals. Two kind of multilayers are studied: one built of a saturated aliphatic acid and the other one with an ethylenic acid. These layers are composed of adjoining crystallites which are oriented on the substrate during the transfer process. The crystallisation propagates in a direction perpendicular to the layers in the case of the saturated acid, while ethylenic acid monolayers are constituted of a superimposition of two-dimensional smectic structures. Using reflexion experiments on metallic substrates we show that the molecules in the very first layers are oriented in a direction perpendicular to the substrate. (author) [fr

  20. Advances of Vibrational Circular Dichroism (VCD) in bioanalytical chemistry. A review.

    Science.gov (United States)

    Kurouski, Dmitry

    2017-10-16

    Vibrational Circular Dichroism (VCD) is a unique and relatively new spectroscopic technique that is capable of determining an absolute configuration of chiral molecules. VCD can be also used to determine structure of large macromolecules. This review highlights the most recent advances of VCD in bioanalytical chemistry. It shows that VCD is capable of unraveling supramolecular organization of peptides, proteins, saccharides, glycerophospholipids, polypeptide microcrystals, as well as amyloid fibrils and DNA. This review also demonstrates how VCD can be utilized to explore molecule-molecule interactions that determine mechanisms of chiral separations in chromatography. It aims to attract attention of scientists from all different research areas demonstrating the strength and capability of this very powerful spectroscopic technique. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Enhanced Circular Dichroism via Symmetry Breaking in a Chiral Plasmonic Nanoparticle Oligomer

    Science.gov (United States)

    Le, Khai Q.

    2018-02-01

    A chiral plasmonic nanoparticle oligomer, consisting of four symmetrically arranged nanodisks of different heights and having different optical absorption responses to left and right-handed circularly polarized light illumination, has been experimentally reported in the literature. The resulting circular dichroism (CD) signal was detectable with state of the art CD spectrometers but was much weaker than those of existing chiral nanostructures, i.e., three-dimensional (3-D) chiral metamaterials. In this letter, via symmetry breaking in such an oligomer, the author demonstrates that the CD can be enhanced up to six times compared to that of a symmetric oligomer, and is in the range of a relevant 3-D chiral metamolecule. Through investigation of geometrical parameters including particle size, asymmetric and symmetric gaps, the CD evolution was reported, which provides a useful guideline for design of two-dimensional chiral oligomers adopted as efficient probes for CD spectroscopic applications.

  2. Spin polarization and magnetic dichroism in core-level photoemission from ferromagnets

    Energy Technology Data Exchange (ETDEWEB)

    Menchero, Jose Gabriel [Univ. of California, Berkeley, CA (United States). Dept. of Physics

    1997-05-01

    In this thesis we present a theoretical investigation of angle- and spin-resolved core-level photoemission from ferromagnetic Fe and Ni. We also consider magneto-dichroic effects due to reversal of the photon helicity or reversal of the sample magnetization direction. In chapter 1, we provide a brief outline of the history of photoemission, and show how it has played an important role in the development of modern physics. We then review the basic elements of the theory of core-level photoemission, and discuss the validity of the some of the commonly-used approximations. In chapter 2, we present a one-electron theory to calculate spin- and angle-resolved photoemission spectra for an arbitrary photon polarization. The Hamiltonian includes both spin-orbit and exchange interactions. As test cases for the theory, we calculate the spin polarization and magnetic dichroism for the Fe 2p core level, and find that agreement with experiment is very good.

  3. Characterization of dry globular proteins and protein fibrils by synchrotron radiation vacuum UV circular dichroism

    DEFF Research Database (Denmark)

    Nesgaard, Lise W.; Hoffmann, Søren Vrønning; Andersen, Christian Beyschau

    2008-01-01

    different types of protein fibrils, highlighting that bona fide fibrils formed by lysozyme are structurally more similar to the nonclassical fibrillar aggregates formed by the SerADan peptide than with the amyloid formed by alpha-synuclein. Thus, despite the lack of direct structural conclusions......Circular dichroism using synchrotron radiation (SRCD) can extend the spectral range down to approximately 130 nm for dry proteins, potentially providing new structural information. Using a selection of dried model proteins, including alpha-helical, beta-sheet, and mixed-structure proteins, we...... observe a low-wavelength band in the range 130-160 nm, whose intensity and peak position is sensitive to the secondary structure of the protein and may also reflect changes in super-secondary structure. This band has previously been observed for peptides but not for globular proteins, and is compatible...

  4. Relation between molecular electronic structure and nuclear spin-induced circular dichroism

    DEFF Research Database (Denmark)

    Štěpánek, Petr; Coriani, Sonia; Sundholm, Dage

    2017-01-01

    with the spatial distribution of the excited states and couplings between them, reflecting changes in molecular structure and conformation. This constitutes a marked difference to the nuclear magnetic resonance (NMR) chemical shift, which only reflects the local molecular structure in the ground electronic state......The recently theoretically described nuclear spin-induced circular dichroism (NSCD) is a promising method for the optical detection of nuclear magnetization. NSCD involves both optical excitations of the molecule and hyperfine interactions and, thus, it offers a means to realize a spectroscopy...... with spatially localized, high-resolution information. To survey the factors relating the molecular and electronic structure to the NSCD signal, we theoretically investigate NSCD of twenty structures of the four most common nucleic acid bases (adenine, guanine, thymine, cytosine). The NSCD signal correlates...

  5. Enantiomeric characterization and structure elucidation of LH601A using vibrational circular dichroism spectroscopy

    Science.gov (United States)

    Shen, Jian; Magesh, Sadagopan; Chen, Lin; Hu, Longqin; He, Yanan

    2018-03-01

    LH601A is a novel non-reactive chiral molecule inhibiting Keap1-Nrf2 protein-protein interaction. The absolute configuration (AC) was independently determined in this study using vibrational circular dichroism (VCD) spectroscopy. Because of band overlapping and broadening in the IR spectrum, a direct VCD spectrum comparison method is devised without the conventional IR band alignment. Being an unbiased AC inquiry, all possible chiralities are evaluated based on the statistical analysis of VCD similarity, Sv. The AC of three-center stereoisomer LH601A is unambiguously assigned to (S,R,S). A comparative study was also carried out to investigate the structural and energy differences of calculated conformers using the polarized continuum model of dimethyl sulfoxide.

  6. Conformational effects on the circular dichroism of Human Carbonic Anhydrase II: a multilevel computational study.

    Directory of Open Access Journals (Sweden)

    Tatyana G Karabencheva-Christova

    Full Text Available Circular Dichroism (CD spectroscopy is a powerful method for investigating conformational changes in proteins and therefore has numerous applications in structural and molecular biology. Here a computational investigation of the CD spectrum of the Human Carbonic Anhydrase II (HCAII, with main focus on the near-UV CD spectra of the wild-type enzyme and it seven tryptophan mutant forms, is presented and compared to experimental studies. Multilevel computational methods (Molecular Dynamics, Semiempirical Quantum Mechanics, Time-Dependent Density Functional Theory were applied in order to gain insight into the mechanisms of interaction between the aromatic chromophores within the protein environment and understand how the conformational flexibility of the protein influences these mechanisms. The analysis suggests that combining CD semi empirical calculations, crystal structures and molecular dynamics (MD could help in achieving a better agreement between the computed and experimental protein spectra and provide some unique insight into the dynamic nature of the mechanisms of chromophore interactions.

  7. Reduction of Linear Programming to Linear Approximation

    OpenAIRE

    Vaserstein, Leonid N.

    2006-01-01

    It is well known that every Chebyshev linear approximation problem can be reduced to a linear program. In this paper we show that conversely every linear program can be reduced to a Chebyshev linear approximation problem.

  8. Non linear microtearing modes

    International Nuclear Information System (INIS)

    Garbet, X.; Mourgues, F.; Samain, A.

    1987-01-01

    Among the various instabilities which could explain the anomalous electron heat transport observed in tokamaks during additional heating, a microtearing turbulence is a reasonable candidate since it affects directly the magnetic topology. This turbulence may be described in a proper frame rotating around the majors axis by a static potential vector. In strong non linear regimes, the flow of electrons along the stochastic field lines induces a current. The point is to know whether this current can sustain the turbulence. The mechanisms of this self-consistency, involving the combined effects of the thermal diamagnetism and of the electric drift are presented here

  9. Magnetic dichroism in photoemission: a new element-specific magnetometer with atomic-layer resolution

    International Nuclear Information System (INIS)

    Starke, K.; Arenholz, E.; Kaindl, G.

    1998-01-01

    Full text: Magnetic coupling in layered metallic structures has become a key issue in thin-film magnetism since the observation of oscillatory exchange coupling across non-ferromagnetic spacer layers. Although this phenomenon was discovered in rare earths (RE) superlattices, mostly transition-metal systems have been studied and are now applied in data-storage industry. An understanding of the coupling mechanisms has been reached after a fabrication of high-quality interfaces became possible. It allowed, in particular, the experimental finding of induced ferromagnetic order in 'nonmagnetic' atomic layers near an interface, using element-specific probes such as magnetic circular dichroism in x-ray absorption. - In layered RE systems, by contrast, the well known intermiscibility has prevented a preparation of atomically sharp interfaces, and all RE superlattices studied so far showed interdiffusion zones of several atomic layers. In the present overview, we report the first fabrication of atomically flat heteromagnetic RE interfaces, their structural characterization and their magnetic analysis using magnetic dichroism in photoemission (MDPE). This new tool gives access to the magnetization of individual atomic layers near interfaces in favourite cases. Merits of MDPE as a magnetometer are demonstrated at the example of Eu/Gd(0001), where chemical shifts of core-level photoemission lines allow to spectroscopically separate up to four different atomic layers. The high surface sensitivity of MDPE, together with the well known dependence of the core-level binding energies on the coordination number of the photo emitting atom, opens the door to future site-specific studies of magnetism in sub-monolayer systems such as 'nanowires'

  10. Circular Dichroism of G-Quadruplex: A Laboratory Experiment for the Study of Topology and Ligand Binding

    Science.gov (United States)

    Carvalho, Josue´; Queiroz, João A.; Cruz, Carla

    2017-01-01

    Circular dichroism (CD) has emerged as one of the standard biophysical techniques for the study of guaninequadruplex (G4) folding, cation effect, and ligand binding. The utility of this technique is based on its robustness, ease of use, and requirement of only small quantities of nucleic acid. This experiment is also extendable to the classroom…

  11. Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation

    DEFF Research Database (Denmark)

    Fristrup, Peter; Lassen, Peter Rygaard; Tanner, David Ackland

    2008-01-01

    The three possible dimethylsubstituted phenyloxiranes (cis, trans and geminal) were synthesized in both racemic (mCPBA) and enantiomerically enriched forms (Shi epoxidation) and subjected to a vibrational circular dichroism study. The experimental spectra were compared to theoretical spectra obta...... the configuration of the major enantiomer was in accordance with a simple transition state model based on the spiro reaction mode....

  12. X-ray magnetic circular dichroism at IrL 2,3 edges in Fe 100- Ir

    Indian Academy of Sciences (India)

    3, 10 and 17) and Co100-Ir (=5, 17, 25 and 32) alloys has been investigated by X-ray magnetic circular dichroism (XMCD) at Ir L2,3 absorption edges. Sum rule analysis of the XMCD data show that the orbital moment of Ir is in the range of ...

  13. X-ray absorption spectoscopy and magnetic circular dichroism of the Mn-ferrite nanocrystalline thin films

    Czech Academy of Sciences Publication Activity Database

    Štichauer, Libor; Mirone, A.; Turchini, S.; Prosperi, T.; Zennaro, S.; Zema, N.; Lama, F.; Pontin, R.; Šimša, Zdeněk; Thailhades, Ph.; Bonnique, C.

    2001-01-01

    Roč. 90, č. 5 (2001), s. 2511-2516 ISSN 0021-8979 Grant - others:CZ-FR(XE) project Barrande 98057 Institutional research plan: CEZ:A02/98:Z1-010-914 Keywords : nanocrystalline thin films * x-ray absorption spectroscopy * magnetic circular dichroism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.128, year: 2001

  14. Electronic structure and x-ray magnetic circular dichroism in A2FeReO6 (A =Ca ,Sr ,andBa ) oxides

    Science.gov (United States)

    Antonov, V. N.; Bekenov, L. V.; Ernst, A.

    2016-07-01

    A systematic electronic structure study of A2FeReO6 (A =Ba ,Sr ,andCa ) has been performed by employing the local-spin-density approximation (LSDA) and LSDA +U methods using the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. We investigated the effects of the subtle interplay between spin-orbit coupling, electron correlations, and lattice distortion on the electronic structure of double perovskites. Ca2FeReO6 has a large distortion in the Fe-O-Re bond, and the electronic structure is mainly determined by electron correlations and lattice distortion. In the Ba -Sr -Ca row, the correlation effects at the Fe site are increased. The correlations at the Re site are small in the Ba- and Sr-based compounds but significant in Ca2FeReO6 . Ca2FeReO6 behaves like an insulator only if considered with a relatively large value of Coulomb repulsion Ueff=2.3 eV at the Re site in addition to Ueff=3.1 eV at the Fe site. Ca2FeReO6 possesses a phase transition at 140 K where the metal-insulator transition (MIT) occurs between metallic high-temperature and insulating low-temperature phases. The spin and orbital magnetic moments are linear functions of temperature before and after the MIT but change abruptly at the point of the phase transition. From theoretically calculated magnetocrystalline anisotropy energy (MAE), we found that the easy axis of magnetization for the low-temperature phase is along the b direction, in agreement with experimental data. We found that the major contribution to the MAE is due to the orbital magnetic anisotropy at the Re site. X-ray-absorption spectra and x-ray magnetic circular dichroism at the Re, Fe, and Ba L2 ,3 and Fe, Ca, and O K edges were investigated theoretically in the frame of the LSDA +U method. A qualitative explanation of the x-ray magnetic circular dichroism spectra shape is provided by an analysis of the corresponding selection rules, orbital character, and occupation numbers of individual orbitals

  15. First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3

    International Nuclear Information System (INIS)

    Lee, Jun Hee; Fishman, Randy S; Kézsmáki, István

    2016-01-01

    Due to the complicated magnetic and crystallographic structures of BiFeO 3 , its magnetoelectric (ME) couplings and microscopic model Hamiltonian remain poorly understood. By employing a first-principles approach, we uncover all possible ME couplings associated with the spin-current (SC) and exchange-striction (ES) polarizations, and construct an appropriate Hamiltonian for the long-range spin-cycloid in BiFeO 3 . First-principles calculations are used to understand the microscopic origins of the ME couplings. We find that inversion symmetries broken by ferroelectric and antiferroelectric distortions induce the SC and the ES polarizations, which cooperatively produce the dynamic ME effects in BiFeO 3 . A model motivated by first principles reproduces the absorption difference of counter-propagating light beams called non-reciprocal directional dichroism. The current paper focuses on the spin-driven (SD) polarizations produced by a dynamic electric field, i.e. the dynamic ME couplings. Due to the inertial properties of Fe, the dynamic SD polarizations differ significantly from the static SD polarizations. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hidden ME couplings on the atomic scale and for exploiting optical ME effects in the next generation of technological devices such as optical diodes. (paper)

  16. A circular dichroism sensor for selective detection of Cd2 + and S2 - based on the in-situ generation of chiral CdS quantum dots

    Science.gov (United States)

    Sianglam, Pradthana; Kulchat, Sirinan; Tuntulani, Thawatchai; Ngeontae, Wittaya

    2017-08-01

    We demonstrate an advance in the fabrication of circular dichroism (CD) sensors for detection of Cd2 + and S2 - based on chiral CdS quantum dots (QDs) generated by a facile in-situ reaction. The chiral quantum dots are generated in solutions composed of Cd2 +, S2 -, cysteamine (CA) and L-penicillamine (L-PA), with the number of the generated particles limited by either the Cd2 + or S2 - concentration. We show that the magnitude of the CD signal produced by the QDs is linearly related to the initial concentration of Cd2 + and S2 -, with excellent selectivity over other ions. Our sensor functions over concentration ranges of 65-200 μM and 7-125 μM with detection limits of 59.7 and 1.6 μM for Cd2 + and S2 -, respectively. The sensor is applied in real water samples with results comparing favorably with those obtained from ICP-OES (for Cd2 +) and HPLC (for S2 -).

  17. The Role of Heme Chirality in the Circular Dichroism of Heme Proteins

    Science.gov (United States)

    Woody, Robert W.; Pescitelli, Gennaro

    2014-07-01

    The rotational strength (R) of the Soret transition in sperm-whale myoglobin (SW Mb), the hemoglobin from Chironomus thummi thummi (CTT Hb), and human hemoglobin (hHb) has been calculated using 20 high-resolution ( Raro > Rpep. For CTT Hb and hHB, the orders were, respectively, Rint > Rpep > Raro and Rint > Raro ≈ Rpep. Human Hb ɑ chains showed the same trend as CTT Hb. Only in the hHb β chains did Raro predominate, with the order Raro > Rint > Rpep. The total predicted Rtot for SW Mb, CTT Hb, and hHb averaged +0.77±0.10 (0.56 - 0.80), -0.37±0.12 (-0.5), and +0.31±0.17 DBM (0.23 - 0.50), respectively. (Values in parentheses are experimental values.) Thus, contrary to the currently accepted view, coupling with aromatic side-chain or peptide transitions is not the dominant factor in the Soret circular dichroism (CD) of these proteins. The Soret CD is dominated by intrinsic CD of the heme chromophore, of which vinyl torsion is the major determinant. This result suggests an explanation for the large effect of heme isomerism on the Soret CD of Mb and Hb. Rotation about the ɑ-γ axis may be associated with large changes in vinyl torsion and thus substantially alter the intrinsic CD, even reversing its sign.

  18. Circular dichroism measured on single chlorosomal light-harvesting complexes of green photosynthetic bacteria

    KAUST Repository

    Furumaki, Shu

    2012-12-06

    We report results on circular dichroism (CD) measured on single immobilized chlorosomes of a triple mutant of green sulfur bacterium Chlorobaculum tepidum. The CD signal is measured by monitoring chlorosomal bacteriochlorphyll c fluorescence excited by alternate left and right circularly polarized laser light with a fixed wavelength of 733 nm. The excitation wavelength is close to a maximum of the negative CD signal of a bulk solution of the same chlorosomes. The average CD dissymmetry parameter obtained from an ensemble of individual chlorosomes was gs = -0.025, with an intrinsic standard deviation (due to variations between individual chlorosomes) of 0.006. The dissymmetry value is about 2.5 times larger than that obtained at the same wavelength in the bulk solution. The difference can be satisfactorily explained by taking into account the orientation factor in the single-chlorosome experiments. The observed distribution of the dissymmetry parameter reflects the well-ordered nature of the mutant chlorosomes. © 2012 American Chemical Society.

  19. Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet.

    Science.gov (United States)

    Li, Zhuo; Hirst, Jonathan D

    2017-06-01

    Vibrational structure in the near-UV circular dichroism (CD) spectra of proteins is an important source of information on protein conformation and can be exploited to study structure and folding. A fully quantitative theory of the relationship between protein conformation and optical spectroscopy would facilitate deeper interpretation of and insight into biophysical and simulation studies of protein dynamics and folding. We have developed new models of the aromatic side chain chromophores toluene, p -cresol and 3-methylindole, which incorporate ab initio calculations of the Franck-Condon effect into first principles calculations of CD using an exciton approach. The near-UV CD spectra of 40 proteins are calculated with the new parameter set and the correlation between the computed and the experimental intensity from 270 to 290 nm is much improved. The contribution of individual chromophores to the CD spectra has been calculated for several mutants and in many cases helps rationalize changes in their experimental spectra. Considering conformational flexibility by using families of NMR structures leads to further improvements for some proteins and illustrates an informative level of sensitivity to side chain conformation. In several cases, the near-UV CD calculations can distinguish the native protein structure from a set of computer-generated misfolded decoy structures.

  20. Circular dichroism studies of low molecular weight hydrogelators: The use of SRCD and addressing practical issues.

    Science.gov (United States)

    Sitsanidis, Efstratios D; Piras, Carmen C; Alexander, Bruce D; Siligardi, Giuliano; Jávorfi, Tamás; Hall, Andrew J; Edwards, Alison A

    2018-04-12

    Circular dichroism (CD) spectroscopy has been used extensively for the investigation of the conformation and configuration of chiral molecules, but its use for evaluating the mode of self-assembly in soft materials has been limited. Herein, we report a protocol for the study of such materials by electronic CD spectroscopy using commercial/benchtop instruments and synchrotron radiation (SR) using the B23 beamline available at Diamond Light Source. The use of the B23 beamtime for SRCD was advantageous because of the unique enhanced spatial resolution achieved because of its highly collimated and small beamlight cross section (ca. 250 μm) and higher photon flux in the far UV region (175-250 nm) enhancing the signal-to-noise ratio relative to benchtop CD instruments. A set of low molecular weight (LMW) hydrogelators, comprising two Fmoc-protected enantiomeric monosaccharides and one Fmoc dipeptide (Fmoc-FF), were studied. The research focused on the optimization of sample preparation and handling, which then enabled the characterization of sample conformational homogeneity and thermal stability. CD spectroscopy, in combination with other spectroscopic techniques and microscopy, will allow a better insight into the self-assembly of chiral building blocks into higher order structural architectures. © 2018 Wiley Periodicals, Inc.

  1. X-ray magnetic circular dichroism used to image magnetic domains

    CERN Document Server

    Fischer, P; Kalchgruber, R; Schütz, G M; Schmahl, G; Guttmann, P; Bayreuther, G

    1999-01-01

    A new technique to image magnetic domain structures has been established by the combination of the high resolution transmission X- ray microscope (TXM) at BESSY I based on the zone plate technique with the X-ray magnetic circular $9 dichroism (X-MCD) providing a huge magnetic contrast. A lateral spatial resolution down to 30 nm could be achieved. Basic features of X-MCD are the inherent element- specificity and the potential to gain information on the local spin $9 and orbital moments of the absorbing species applying magneto-optical sum rules. Key results at the Fe L/sub 3,2/ edges of Fe in a layered GdFe system and at the Co L/sub 3/ edge of a PtCo layered system demonstrate the potential of $9 this microscopy. The images can be recorded in varying magnetic fields which allows to study the evolution of magnetic domains within a complete hysteresis loop. (8 refs).

  2. DNA binding of sunitinib: Spectroscopic evidence via circular dichroism and nuclear magnetic resonance.

    Science.gov (United States)

    Kiss, Eszter; Mirzahosseini, Arash; Hubert, Ágnes; Ambrus, Attila; Őrfi, László; Horváth, Péter

    2018-02-20

    Sunitinib is a non-selective tyrosine kinase inhibitor, but in its chemical structure there can be discovered certain features, which suggest the ability to bind to DNA. These elements are the planar aromatic system and the tertiary amine function, which is protonated at the pH of the organism. In this study, the binding of the drug sunitinib to DNA was investigated using circular dichroism (CD), 1 H NMR and UV spectroscopies, along with CD melting. For these studies DNA was isolated from calf thymus (CT), salmon fish sperm (SS), and chicken erythrocyte (CE), however for our purposes an artificially constructed and highly purified plasmid DNA (pUC18) preparation proved to be the most suitable. DNA binding of the drug was confirmed by shifts in the characteristic CD bands of the DNA, the appearance of an induced CD (ICD) signal in the upper absorption region of sunitinib (300 nm-500 nm), and the evidence from CD melting studies and the NMR. Based on the CD and NMR measurements, it can be assumed that sunitinib has a multiple-step binding mechanism. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. X-ray magnetic circular dichroism in (Ge,Mn) compounds: Experiments and modeling

    Science.gov (United States)

    Tardif, Samuel; Titov, Andrey; Arras, Emmanuel; Slipukhina, Ivetta; Hlil, El-Kébir; Cherifi, Salia; Joly, Yves; Jamet, Matthieu; Barski, André; Cibert, Joël; Kulatov, Erkin; Uspenskii, Yurii A.; Pochet, Pascal

    2014-03-01

    X-ray absorption (XAS) and x-ray magnetic circular dichroism (XMCD) spectra at the L2,3 edges of Mn in (Ge,Mn) compounds have been measured and are compared to the results of first principles calculation. Early ab initio studies show that the Density Functional Theory (DFT) can very well describe the valence band electronic properties but fails to reproduce a characteristic change of sign in the L3 XMCD spectrum of Mn in Ge3Mn5, which is observed in experiments. In this work we demonstrate that this disagreement is partially related to an underestimation of the exchange splitting of Mn 2p core states within the local density approximation. It is shown that the change in sign experimentally observed is reproduced if the exchange splitting is accurately calculated within the Hartree-Fock approximation, while the final states can be still described by the DFT. This approach is further used to calculate the XMCD in different (Ge,Mn) compounds. It demonstrates that the agreement between experimental and theoretical spectra can be improved by combining state of the art calculations for the core and valence states respectively.

  4. Ligand Induced Circular Dichroism and Circularly Polarized Luminescence in CdSe Quantum Dots

    Science.gov (United States)

    Tohgha, Urice; Deol, Kirandeep K.; Porter, Ashlin G.; Bartko, Samuel G.; Choi, Jung Kyu; Leonard, Brian M.; Varga, Krisztina; Kubelka, Jan; Muller, Gilles; Balaz, Milan

    2014-01-01

    Chiral thiol capping ligands L- and D-cysteines induced modular chiroptical properties in achiral cadmium selenide quantum dots (CdSe QDs). Cys-CdSe prepared from achiral oleic acid capped CdSe by post-synthetic ligand exchange displayed size-dependent electronic circular dichroism (CD) and circularly polarized luminescence (CPL). Opposite CPL signals were measured for the CdSe QDs capped with D- and L-cysteine. The CD profile and CD anisotropy varied with size of CdSe nanocrystals with largest anisotropy observed for CdSe nanoparticles of 4.4 nm. Magic angle spinning solid state NMR (MAS ssNMR) experiments suggested bidentate interaction between cysteine and the surface of CdSe. Density functional theory (DFT) calculations verified that attachment of L- and D-cysteine to the surface of model (CdSe)13 nanoclusters induces measurable opposite CD signals for the exitonic band of the nanocluster. The chirality was induced by the hybridization of highest occupied CdSe molecular orbitals with those of the chiral ligand. PMID:24200288

  5. The thermal and storage stability of bovine haemoglobin by ultraviolet-visible and circular dichroism spectroscopies.

    Science.gov (United States)

    Bhomia, Ruchir; Trivedi, Vivek; Coleman, Nichola J; Mitchell, John C

    2016-08-01

    The effects of temperature, pH and long-term storage on the secondary structure and conformation changes of bovine haemoglobin (bHb) were studied using circular dichroism (CD) and ultraviolet--visible (UV-vis) spectroscopies. Neural network software was used to deconvolute the CD data to obtain the fractional content of the five secondary structures. The storage stability of bHb solutions in pH 6, 7 and 8 buffers was significantly higher at 4 °C than at 23 °C for the first 3 days. A complete denaturation of bHb was observed after 40 days irrespective of storage temperature or pH. The bHb solutions were also exposed to heating and cooling cycles between 25 and 65 °C and structural changes were followed by UV-vis and CD spectroscopies. These experiments demonstrated that α-helix content of bHb decreased steadily with the increasing temperature above 35 °C at all pH values. The loss in α-helicity and gain in random coil conformations was pH-dependent and the greatest under alkaline conditions. Furthermore, there was minimal recovery of the secondary structure content upon cooling to 25 °C. The use of bHb as a model drug is very common and this study elucidates the significance of storage and processing conditions on its stability.

  6. Circular birefringence/dichroism measurement of optical scattering samples using amplitude-modulation polarimetry

    Science.gov (United States)

    Liu, Wei-Chun; Lo, Yu-Lung; Phan, Quoc-Hung

    2018-03-01

    A method is proposed for extracting the circular birefringence (CB), circular dichroism (CD) and depolarization (Dep) properties of optical scattering samples using an amplitude-modulation polarimetry technique. The validity of the proposed method is demonstrated by extracting the CB property of pure glucose aqueous samples, the CB/Dep properties of glucose solutions containing 0.02% lipofundin particles, and the CD/Dep properties of chlorophyllin solutions containing suspended polystyrene microspheres. The results show that the proposed technique has the ability to detect pure glucose with a resolution of 66 mg/dL over a concentration range of 0-500 mg/dL. Moreover, the glucose concentration of the CB/Dep samples can be detected over the same range with a resolution of 168 mg/dL. Finally, the chlorophyllin concentration of the CD/Dep sample can be detected over the range of 0-200 μg/dL with a resolution of 6.5 × 10-5. In general, the results show that the proposed technique provides a reliable and accurate means of measuring the CB/CD properties of optical samples with scattering effects, and thus has significant potential for biological sensing applications.

  7. Magnetic circular dichroism spectroscopy of weakly exchange coupled transition metal dimers: A model study

    DEFF Research Database (Denmark)

    Piligkos, S.; Slep, L.D.; Weyhermuller, T.

    2009-01-01

    bands of the minority spin Ni(II) ligand field bands were observed to change sign relative to the parent complex 2. This behavior has been analyzed. The present work hence provides a benchmark study for the application of MCD spectroscopy to weakly interacting transition metal dinners. (C) 2008 Elsevier......A detailed study of the magnetic circular dichroism (MCD) spectra of weakly exchange coupled transition metal heterodimers is reported. The systems consist of three isostructural complexes of the type [LM(III)(PyA)(3)M(II)](ClO4)(2) where L represents 1,4,7-trimethyl-1,4,7-triazacyclonanane and Py......A- is the monoanion of pyridine-2-aldoxime. The trivalent metal ion M(III) is either diamagnetic Ga(III) or paramagnetic Cr(III) (S-Cr = 3/2). The divalent metal ion M(II) is either diamagnetic Zn(II) or paramagnetic Ni(II) (S-Ni = 1). The three systems 1 (CrZn), 2 (GaNi) and 3 (CrNi) have been structurally...

  8. Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine.

    Science.gov (United States)

    Miyahara, Tomoo; Nakatsuji, Hiroshi

    2018-01-11

    Accuracy of the time-dependent density functional theory (Td-DFT) was examined for the ultraviolet (UV) and circular dichroism (CD) spectra of deoxyguanosine (dG) and uridine, using 11 different DFT functionals and two different basis sets. The Td-DFT results of the UV and CD spectra were strongly dependent on the functionals used. The basis-set dependence was observed only for the CD spectral calculations. For the UV spectra, the B3LYP and PBE0 functionals gave relatively good results. For the CD spectra, the B3LYP and PBE0 with 6-311G(d,p) basis gave relatively permissible result only for dG. The results of other functionals were difficult to be used for the studies of the UV and CD spectra, though the symmetry adapted cluster-configuration interaction (SAC-CI) method reproduced well the experimental spectra of these molecules. To obtain valuable information from the theoretical calculations of the UV and CD spectra, the theoretical tool must be able to reproduce correctly both of the intensities and peak positions of the UV and CD spectra. Then, we can analyze the reasons of the changes of the intensity and/or the peak position to clarify the chemistry involved. It is difficult to recommend Td-DFT as such tools of science, at least from the examinations using dG and uridine.

  9. Advanced Applications of Vibrational Circular Dichroism: from Small Chiral Molecules to Fibrils

    Science.gov (United States)

    Dukor, Rina K.

    2017-06-01

    Vibrational Circular Dichroism (VCD), first discovered in the early 1970s, and commercialized in the late 1990's, is finally coming of age! No longer a curiosity of the few selected academic groups, it is now used by all major pharmaceutical companies, regulatory agencies, government labs and academic institutions. The main application for the technology has been determination of absolute configuration of small pharmaceutical molecules. In more recent years, this has extended to more complicated molecules such as natural products with many chiral centers and conformational flexibility. Other applications include determination of enantiomeric purity, chiral polymers, and characterization of other biological molecules such as proteins, carohydrates and nucleic acids. One of the most fascinating discoveries in the VCD field has been been unusual enhancement in intensity for proteins that form fibrils. We have demonstrated sensitivity of VCD to in situ solution-phase probe of the process of fibrillogenesis and subsequent development that currently can only be studied in detail with dried samples by such techniques as scanning electron microscopy or atomic force microscopy. We have further shown that several different proteins, that in their native state have different secondary structures, have a very similar unique signature of mature fibrils. In this presentation, we will discuss fundamentals of VCD, demonstrate a few examples of different applications and showcase the sensitivity to structure of fibrils, including new results on micro-sampling.

  10. Measuring circular dichroism in a capillary cell using the b23 synchrotron radiation CD beamline at diamond light source.

    Science.gov (United States)

    Jávorfi, Tamás; Hussain, Rohanah; Myatt, Daniel; Siligardi, Giuliano

    2010-01-01

    Synchrotron radiation circular dichroism (SRCD) is a well-established method in structural biology. The first UV-VIS beamline dedicated to circular dichroism at Diamond Light Source, a third generation synchrotron facility in South Oxfordshire, has recently become operational and it is now available for the user community. Herein we present an important application of SRCD: the CD measurement of protein solutions in fused silica rectangular capillary cells. This was achieved without the use of any lens between the photoelastic modulator and the photomultiplier tube detectors by exploiting the high photon flux of the collimated beam that can be as little as half a millimeter squared. Measures to minimize or eliminate vacuum-UV protein denaturation effects are discussed. The CD spectra measured in capillaries is a proof of principle to address CD measurements in microdevice systems using the new B23 SRCD beamline. © 2010 Wiley-Liss, Inc.

  11. Interaction of fisetin with human serum albumin by fluorescence, circular dichroism spectroscopy and DFT calculations: binding parameters and conformational changes

    Energy Technology Data Exchange (ETDEWEB)

    Matei, Iulia; Ionescu, Sorana [Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta 4-12, 030018 Bucharest (Romania); Hillebrand, Mihaela, E-mail: mihh@gw-chimie.math.unibuc.ro [Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta 4-12, 030018 Bucharest (Romania)

    2011-08-15

    The interaction between fisetin, an antioxidant and neuroprotective flavonoid, and human serum albumin (HSA) is investigated by means of fluorescence (steady-state, synchronous, time-resolved) and circular dichroism (CD) spectroscopy. The formation of a 1:1 complex with a constant of about 10{sup 5} M{sup -1} was evidenced. Foerster's resonance energy transfer and competitive binding with site markers warfarin and ibuprofen were considered and discussed. Changes in the CD band of HSA indicate a decrease in the {alpha}-helix content upon binding. An induced CD signal for bound fisetin was observed and rationalized in terms of density functional theory calculations. - Highlights: > Fisetin-BSA system was studied by fluorescence spectroscopy. > Binding parameters, association constant and number of sites were estimated. > Binding site of fisetin was identified by competitive experiments. > Conformational changes in HSA and fisetin were evidenced by circular dichroism. > TDDFT calculated CD spectra supported the experimental data.

  12. Protein-containing PEGylated cubosomic particles: freeze-fracture electron microscopy and synchrotron radiation circular dichroism study

    Czech Academy of Sciences Publication Activity Database

    Angelov, Borislav; Angelova, A.; Papahadjopoulos-Sternberg, B.; Hoffmann, S. V.; Nicolas, V.; Lesieur, S.

    2012-01-01

    Roč. 116, č. 26 (2012), s. 7676-7686 ISSN 1520-6106 R&D Projects: GA ČR GAP208/10/1600 Institutional research plan: CEZ:AV0Z40500505 Institutional support: RVO:61389013 Keywords : freeze-fracture electron microscopy * synchrotron radiation circular dichroism * SAXS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.607, year: 2012

  13. Liposomal circular dichroism. Assignment of remote stereocenters in plakinic acids K and L from a Plakortis-Xestospongia sponge association.

    Science.gov (United States)

    Dalisay, Doralyn S; Quach, Tim; Molinski, Tadeusz F

    2010-04-02

    Two new omega-phenyl polyketide peroxides, plakinic acids K and L, were isolated from a two-sponge association of Plakortis halichondroides and Xestospongia deweerdtae. The absolute configurations of the remote dimethyl-branched stereocenters in plakinic acid K were assigned by degradation of plakinic acid K to a long-chain naphthamide and analysis by liposomal circular dichroism (L-CD) and comparison with synthetic standards.

  14. Linear step drive

    International Nuclear Information System (INIS)

    Haniger, L.; Elger, R.; Kocandrle, L.; Zdebor, J.

    1986-01-01

    A linear step drive is described developed in Czechoslovak-Soviet cooperation and intended for driving WWER-1000 control rods. The functional principle is explained of the motor and the mechanical and electrical parts of the drive, power control, and the indicator of position are described. The motor has latches situated in the reactor at a distance of 3 m from magnetic armatures, it has a low structural height above the reactor cover, which suggests its suitability for seismic localities. Its magnetic circuits use counterpoles; the mechanical shocks at the completion of each step are damped using special design features. The position indicator is of a special design and evaluates motor position within ±1% of total travel. A drive diagram and the flow chart of both the control electronics and the position indicator are presented. (author) 4 figs

  15. Linear Algebra and Smarandache Linear Algebra

    OpenAIRE

    Vasantha, Kandasamy

    2003-01-01

    The present book, on Smarandache linear algebra, not only studies the Smarandache analogues of linear algebra and its applications, it also aims to bridge the need for new research topics pertaining to linear algebra, purely in the algebraic sense. We have introduced Smarandache semilinear algebra, Smarandache bilinear algebra and Smarandache anti-linear algebra and their fuzzy equivalents. Moreover, in this book, we have brought out the study of linear algebra and vector spaces over finite p...

  16. Origin-Independent Sum Over States Simulations of Magnetic and Electronic Circular Dichroism Spectra via the Localized Orbital/Local Origin Method

    Czech Academy of Sciences Publication Activity Database

    Štěpánek, Petr; Bouř, Petr

    2015-01-01

    Roč. 36, č. 10 (2015), s. 723-730 ISSN 0192-8651 R&D Projects: GA ČR GA13-03978S; GA ČR GAP208/11/0105 Grant - others:GA AV ČR(CZ) M200551205 Institutional support: RVO:61388963 Keywords : density functional theory * electronic circular dichroism * magnetic circular dichroism * origin-dependence Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.648, year: 2015

  17. What can we Learn on Gas Phase Chiral Compounds by Photoelectron Circular Dichroism ?

    Science.gov (United States)

    Nahon, Laurent

    2017-06-01

    Since 15 years, a new type of chiroptical effect has been the subject of a large array of both theoretical and experimental studies: Photoelectron Circular Dichroism (PECD) in the angular distribution of photoelectrons produced by CPL-ionization of pure enantiomers in the gas phase observed as a very intense (up to 35 %) forward/backward asymmetry with respect to the photon axis and which reveals the chirality of the molecule (configuration). PECD happens to be an orbital-specific, photon energy dependent effect and is a very subtle probe of the molecular potential being very sensitive to static molecular structures such as conformers, chemical substitution, clusters, as well as to vibrational motion, much more so than other observables in photoionization such as the cross section or the β asymmetry parameter (for a recent review see L. Nahon, G. A. Garcia, and I. Powis, J. Elec. Spec. Rel. Phen. 204, 322 (2015)). Therefore PECD studies have both a fundamental interest as well and analytical interest, especially since chiral species are ubiquitous in the biosphere, food and medical industry. This last aspect is probably the driving force for the recent extension of PECD studies by the laser community using UV REMPI schemes. After a large introduction to the PECD process itself, and a description of our double imaging electron/ion coincidence set-up, several recent results on one-photon VUV PECD will be presented, including: - Sensitivity to chemical substitutions, isomerism and conformation - Case of floppy biomolecules such as amino acids alanine and proline with a conformer analysis and possible consequences for the origin of life's homochirality - Analytical capabilities in terms of enantiomeric excess determination on a pure molecule as well as on a mixture of compounds. Future trends for PECD studies will be given regarding the case of more complex/structured chiral systems as well as opportunities for time-resolved PECD opened by the recent first performance

  18. Magnetic circular Dichroism and Faraday rotation of cesium-argon excimers and cesium dimers

    International Nuclear Information System (INIS)

    Islam, M.A.

    1981-01-01

    Magnetic Circular Dichroism (MCD) and Faraday Rotation (FR) of excimer absorption bands in gases are measured to obtain the first direct information about the angular momentum quantum numbers and the angular momentum coupling schemes of excimer molecules. So far, there has been no experimental method to obtain information about the axial angular momentum and the angular momentum coupling schemes of excimer molecules. In this experiment, the MCD and the FR of cesium-argon excimer and cesium dimer absorption bands between 5000 A and 10,000 A are measured for the range of temperature from 116 0 to 355 0 C. Of particular interest is the blue wing of D 2 line in cesium which has been the subject of vigorous investigation. The measured MCD data at the blue wing of D 2 line clearly shows that the assignment of 2 μ/sub 1/2/ to this excited state assuming Hund's case (b) is a poor approximation. By a simple inspection of the MCD data, it is found that the coupling scheme is more nearly Hund's case (c) than Hynd's case (b). Several other new and interesting results are obtained. The blue wing associated with 5D transition in atomic cesium is devoid of MCD and exhibits strong MCD in the red wings. Thus, the assignment of 2 μ/sub 1/2/ and 2 π to the blue and red wings, respectively, assuming Hund's case (a) and (b), is a very good approximation. Again the yellow-green band associated with 7s-6s transition in atomic cesium shows no MCD. It is therefore also a good approximation to assign 2 μ/sub 1/2/ to the upper state assuming Hund's case (b). Much more information can be obtained by a detailed analysis of the MCD data

  19. A novel calibration strategy based on background correction for quantitative circular dichroism spectroscopy.

    Science.gov (United States)

    Zuo, Qi; Xiong, Shun; Chen, Zeng-Ping; Chen, Yao; Yu, Ru-Qin

    2017-11-01

    When using circular dichroism (CD) spectroscopy for quantitative analysis, the samples to be analyzed must be free of light-absorbing interferences. However, in real-world samples, the presence of background absorbers is practically unavoidable. The difference in the matrices between the real-world samples to be analyzed and the standard samples (on which either univariate or multivariate calibration model was built) would result in systematic errors in the quantification results of CD spectroscopy. In this contribution, a novel calibration strategy for quantitative CD spectroscopic analysis was proposed. The main idea of the proposed calibration strategy is to project the CD spectra of both the standard samples and the real-world sample to be analyzed onto a projection space orthogonal to the space spanned by the background CD spectrum of the real-world sample and then build a multivariate calibration model on the transformed CD spectra of the standard samples. The performance of the proposed calibration strategy was tested and compared with conventional univariate and multivariate calibration methods in the quantification of Pb 2+ in cosmetic samples using CD spectroscopy in combination with a G-quadruplex DNAzyme (e.g. PS2.M). Experiments results revealed that the proposed calibration strategy could mitigate the influence of the difference in the matrices between the standard samples and cosmetic samples and realized quantitative analysis of Pb 2+ in cosmetic samples, with precision and accuracy comparable to atomic absorption spectroscopy. The proposed calibration strategy has the features of simplicity and effectiveness, its combination with CD spectroscopic probes can realize accurate and precise quantification of analytes in complex samples using CD spectroscopy. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Circular dichroism analysis of cyclic β-helical peptides adsorbed on planar fused quartz.

    Science.gov (United States)

    Fears, Kenan P; Petrovykh, Dmitri Y; Photiadis, Sara J; Clark, Thomas D

    2013-08-13

    Conformational changes of three cyclic β-helical peptides upon adsorption onto planar fused-quartz substrates were detected and analyzed by far-ultraviolet (UV) circular dichroism (CD) spectroscopy. In trifluoroethanol (TFE), hydrophobic peptides, Leu β and Val β, form left- and right-handed helices, respectively, and water-soluble peptide WS β forms a left-handed helix. Upon adsorption, CD spectra showed a mixture of folded and unfolded conformations for Leu β and Val β and predominantly unfolded conformations for WS β. X-ray photoelectron spectroscopy (XPS) provided insight about the molecular mechanisms governing the conformational changes, revealing that ca. 40% of backbone amides in Leu β and Val β were interacting with the hydrophilic substrate, while only ca. 15% of the amines/amides in WS β showed similar interactions. In their folded β-helical conformations, Leu β and Val β present only hydrophobic groups to their surroundings; hydrophilic surface groups can only interact with backbone amides if the peptides change their conformation. Conversely, as a β helix, WS β presents hydrophilic side chains to its surroundings that could, in principle, interact with hydrophilic surface groups, with the peptide retaining its folded structure. Instead, the observed unfolded surface conformation for WS β and the relatively small percentage of surface-bound amides (15 versus 40% for Leu β and Val β) suggest that hydrophilic surface groups induce unfolding. Upon this surface-induced unfolding, WS β interacts with the surface preferentially via hydrophilic side chains rather than backbone amides. In contrast, the unfolded β-hairpin-like form of WS β does not irreversibly adsorb on fused quartz from water, highlighting that solvation effects can be more important than initial conformation in governing peptide adsorption. Both label-free methods demonstrated in this work are, in general, applicable to structural analysis of a broad range of biomolecules

  1. Electrically-driven chiroptical switches based on axially dissymmetric 1,1'-binaphthyl and electrochromic viologens: synthesis and optical properties.

    Science.gov (United States)

    Deng, Jian; Song, Naiheng; Zhou, Qifeng; Su, Zhixing

    2007-12-20

    A novel redox type of chiral molecular switch based on axially dissymmetric 1,1'-binaphthyl and electrochromic 4,4'-bipyridinium exhibits drastic changes in absorption and circular dichroism spectra upon electrochemical redox reaction and is fully characterized for the electrically driven chiroptical switching properties.

  2. Freeze-quench magnetic circular dichroism spectroscopic study of the very rapid intermediate in xanthine oxidase

    Energy Technology Data Exchange (ETDEWEB)

    Jones, R.M.; Inscore, F.E.; Hille, R.; Kirk, M.L.

    1999-11-01

    Freeze-quench magnetic circular dichroism spectroscopy (MCD) has been used to trap and study the excited-state electronic structure of the Mo(V) active site in a xanthine oxidase intermediate generated with substoichiometric concentrations of the slow substrate 2-hydroxy-6-methylpurine. EPR spectroscopy has shown that the intermediate observed in the MCD experiment is the very rapid intermediate, which lies on the main catalytic pathway. The observed in the MCD experiment is the very rapid intermediate, which lies on the main catalytic pathway. The low-energy ({lt}{approximately}30,000 cm{sup {minus}1}) C-term MCD of this intermediate is remarkably similar to that of the model compound LMoO(bdt)(L = hydrotris(3,5-dimethyl-1-pyrazolyl)borate; bdt = 1,2-benzenedithiolate), and the MCD bands have been assigned as dithiolate S{sub ip} {yields} Mo d{sub xy} and S{sub op} {yields} Mo d{sub xz,yz} LMCT transitions. These transitions result from a coordination geometry of the intermediate where the Mo{double{underscore}bond}O bond is oriented cis to the ene-1,2-dithiolate of the pyranopterin. Since X-ray crystallography has indicated that a terminal sulfido ligand is oriented cis to the ene-1,2-dithiolate in oxidized xanthine oxidase related Desulfovibrio gigas aldehyde oxidoreductase, the authors have suggested that a conformational change occurs upon substrate binding. The substrate-mediated conformational change is extremely significant with respect to electron-transfer regeneration of the active site, as covalent interactions between the redox-active Mo d{sub xy} orbital and the S{sub ip} orbitals of the ene-1,2-dithiolate are maximized when the oxo ligand is oriented cis to the dithiolate plane. This underlies the importance of the ene-1,2-dithiolate portion of the pyranopterin in providing an efficient superexchange pathway for electron transfer. The results of this study indicate that electron-transfer regeneration of the active site may be gated by the orientation

  3. Linearization Technologies for Broadband Radio-Over-Fiber Transmission Systems

    Directory of Open Access Journals (Sweden)

    Xiupu Zhang

    2014-11-01

    Full Text Available Linearization technologies that can be used for linearizing RoF transmission are reviewed. Three main linearization methods, i.e. electrical analog linearization, optical linearization, and electrical digital linearization are presented and compared. Analog linearization can be achieved using analog predistortion circuits, and can be used for suppression of odd order nonlinear distortion components, such as third and fifth order. Optical linearization includes mixed-polarization, dual-wavelength, optical channelization and the others, implemented in optical domain, to suppress both even and odd order nonlinear distortion components, such as second and third order. Digital predistortion has been a widely used linearization method for RF power amplifiers. However, digital linearization that requires analog to digital converter is severely limited to hundreds of MHz bandwidth. Instead, analog and optical linearization provide broadband linearization with up to tens of GHz. Therefore, for broadband radio over fiber transmission that can be used for future broadband cloud radio access networks, analog and optical linearization are more appropriate than digital linearization. Generally speaking, both analog and optical linearization are able to improve spur-free dynamic range greater than 10 dB over tens of GHz. In order for current digital linearization to be used for broadband radio over fiber transmission, the reduced linearization complexity and increased linearization bandwidth are required. Moreover, some digital linearization methods in which the complexity can be reduced, such as Hammerstein type, may be more promising and require further investigation.

  4. Structural investigations of basic amphipathic model peptides in the presence of lipid vesicles studied by circular dichroism, fluorescence, monolayer and modeling.

    Science.gov (United States)

    Mangavel, C; Maget-Dana, R; Tauc, P; Brochon, J C; Sy, D; Reynaud, J A

    1998-05-28

    A cationic amphiphilic peptide made of 10 leucine and 10 lysine residues, and four of its fluorescent derivatives in which leucines were substituted by Trp residues at different locations on the primary sequence have been synthesized. The interactions of these five peptides with neutral anionic or cationic vesicles were investigated using circular dichroism, steady state and time-resolved fluorescence with a combination of Trp quenching by brominated lipid probes, monolayers, modeling with minimization and simulated annealing procedures. We show that all the five peptides interact with neutral and anionic DMPC, DMPG, DOPC or egg yolk PC vesicles. The binding takes place whatever the peptide conformation in solution is. In the case of DMPC bilayers the binding free energy DeltaG is estimated at -8 kcal mole-1 and the number of phospholipid molecules involved is about 20-25 per peptide molecule. Peptides are bound as single-stranded alpha helices orientated parallel to the bilayer surface. In the anchoring of phospholipid head groups around the peptides, the lipid molecules are not smeared out in a plane parallel to the membrane surface but are organized around the hydrophilic face of the alpha helices like 'wheat grains around an ear' and protrude outside the bilayer towards the solvent. We suggest that such a lipid arrangement generates transient structural defects responsible for the membrane permeability enhancement. When an electrical potential is applied, the axis of the peptide helices remains parallel to the membrane surface and does not reorient to give rise to a bundle of helix monomers that forms transmembrane channels via a 'barrel stave' mechanism. The penetration depth of alpha helices in relation to the position of phosphorus atoms in the unperturbed lipid leaflet is estimated at 3.2 A. Copyright 1998 Elsevier Science B.V. All rights reserved.

  5. First-principles approach to the dynamic magnetoelectric couplings for the non-reciprocal directional dichroism in BiFeO3

    Science.gov (United States)

    Lee, Jun Hee; Kézsmáki, István; Fishman, Randy S.

    2016-04-01

    Due to the complicated magnetic and crystallographic structures of BiFeO3, its magnetoelectric (ME) couplings and microscopic model Hamiltonian remain poorly understood. By employing a first-principles approach, we uncover all possible ME couplings associated with the spin-current (SC) and exchange-striction (ES) polarizations, and construct an appropriate Hamiltonian for the long-range spin-cycloid in BiFeO3. First-principles calculations are used to understand the microscopic origins of the ME couplings. We find that inversion symmetries broken by ferroelectric and antiferroelectric distortions induce the SC and the ES polarizations, which cooperatively produce the dynamic ME effects in BiFeO3. A model motivated by first principles reproduces the absorption difference of counter-propagating light beams called non-reciprocal directional dichroism. The current paper focuses on the spin-driven (SD) polarizations produced by a dynamic electric field, i.e. the dynamic ME couplings. Due to the inertial properties of Fe, the dynamic SD polarizations differ significantly from the static SD polarizations. Our systematic approach can be generally applied to any multiferroic material, laying the foundation for revealing hidden ME couplings on the atomic scale and for exploiting optical ME effects in the next generation of technological devices such as optical diodes. This manuscript has been written by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan.

  6. Strong Circular Dichroism in Photoelectron Diffraction from Nonchiral, Nonmagnetic Material—Direct Observation of Rotational Motion of Electrons

    Science.gov (United States)

    Daimon, Hiroshi; Nakatani, Takeshi; Imada, Shin; Suga, Shigemasa; Kagoshima, Yasushi; Miyahara, Tsuneaki

    1993-10-01

    Strong circular dichroism is found in 2-dimensional angular distribution patterns of the Si 2p photoelectrons from the Si(001) surface, which has no chirality and magnetism. The forward focusing peaks in the pattern rotate clockwise or counterclockwise when the helicity of the incident circularly polarized light is reversed. These rotations of the pattern are explained by rotational motion of photoelectrons around the nuclei. This is the first direct observation of the rotational motion of the electrons and clarifies the correspondence between the classical and the quantum mechanical ideas of angular momentum.

  7. Natural circular dichroism of amino acid films observed in soft X-ray and VUV region using polarizing undulator

    International Nuclear Information System (INIS)

    Nakagawa, K.; Kaneko, F.; Ohta, Y.; Tanaka, M.; Kitada, T.; Agui, A.; Fujii, F.; Yokoya, A.; Yagi-Watanabe, K.; Yamada, T.

    2005-01-01

    We observed the natural circular dichroism NCD of amino acid films in the soft X-ray region for the first time [M. Tanaka, K. Nakagawa, A. Agui, K. Fujii, A. Yokoya, Physica Scripta, in press]. Based on the success, a new generation of detection system is now under preparation. Vacuum ultraviolet NCD of amino acid films was measured successfully using a polarizing undulator [H. Onuki, Nucl. Instrum. Meth. A 246 (1986) 94] installed at the TERAS electron storage ring at AIST, Tsukuba, Japan. A result of NCD measurement for alanine films is described in detail

  8. TD-DFT Investigation of the Magnetic Circular Dichroism Spectra of Some Purine and Pyrimidine Bases of Nucleic Acids

    DEFF Research Database (Denmark)

    Fahleson, Tobias; Kauczor, Joanna; Norman, Patrick

    2015-01-01

    We present a computational study of the magnetic circular dichroism (MCD) spectra in the 200–300 nm wavelength region of purine and its derivative hypoxanthine, as well as of the pyrimidine bases of nucleic acids uracil, thymine, and cytosine, using the B3LYP and CAM–B3LYP functionals. Solvent...... and the B term shape of the spectra of pyrimidine bases are reproduced. Our calculations also correctly reproduce the reversed phase of the MCD bands in purine compared to that of its derivatives present in nucleic acids. Solvent effects are sizable and system specific, but they do not in general alter...

  9. Linear Accelerator (LINAC)

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z Linear Accelerator A linear accelerator (LINAC) customizes high energy x-rays or ... ensured? What is this equipment used for? A linear accelerator (LINAC) is the device most commonly used ...

  10. Foundations of linear and generalized linear models

    CERN Document Server

    Agresti, Alan

    2015-01-01

    A valuable overview of the most important ideas and results in statistical analysis Written by a highly-experienced author, Foundations of Linear and Generalized Linear Models is a clear and comprehensive guide to the key concepts and results of linear statistical models. The book presents a broad, in-depth overview of the most commonly used statistical models by discussing the theory underlying the models, R software applications, and examples with crafted models to elucidate key ideas and promote practical model building. The book begins by illustrating the fundamentals of linear models,

  11. Linear particle accelerator

    International Nuclear Information System (INIS)

    Richards, J.A.

    1977-01-01

    A linear particle accelerator which provides a pulsed beam of charged particles of uniform energy is described. The accelerator is in the form of an evacuated dielectric tube, inside of which a particle source is located at one end of the tube, with a target or window located at the other end of the dielectric tube. Along the length of the tube are externally located pairs of metal plates, each insulated from each other in an insulated housing. Each of the plates of a pair are connected to an electrical source of voltage of opposed polarity, with the polarity of the voltage of the plates oriented so that the plate of a pair, nearer to the particle source, is of the opposed polarity to the charge of the particle emitted by the source. Thus, a first plate about the tube located nearest the particle source, attracts a particle which as it passes through the tube past the first plate is then repelled by the reverse polarity of the second plate of the pair to continue moving towards the target

  12. A new soft X-ray magnetic circular dichroism facility at the BSRF beamline 4B7B

    Science.gov (United States)

    Guo, Zhi-Ying; Hong, Cai-Hao; Xing, Hai-Ying; Tang, Kun; Zheng, Lei; Xui, Wei; Chen, Dong-Liang; Cui, Ming-Qi; Zhao, Yi-Dong

    2015-04-01

    X-ray magnetic circular dichroism (XMCD) has become an important and powerful tool because it allows the study of material properties in combination with elemental specificity, chemical state specificity, and magnetic specificity. A new soft X-ray magnetic circular dichroism apparatus has been developed at the Beijing Synchrotron Radiation Facility (BSRF). The apparatus combines three experimental conditions: an ultra-high-vacuum environment, moderate magnetic fields and in-situ sample preparation to measure the absorption signal. We designed a C-type dipole electromagnet that provides magnetic fields up to 0.5 T in parallel (or anti-parallel) direction relative to the incoming X-ray beam. The performances of the electromagnet are measured and the results show good agreement with the simulation ones. Following film grown in situ by evaporation methods, XMCD measurements are performed. Combined polarization corrections, the magnetic moments of the Fe and Co films determined by sum rules are consistent with other theoretical predictions and experimental measurements. Supported by National Natural Science Foundation of China (61204008)

  13. Combining sequence-based prediction methods and circular dichroism and infrared spectroscopic data to improve protein secondary structure determinations.

    Science.gov (United States)

    Lees, Jonathan G; Janes, Robert W

    2008-01-15

    A number of sequence-based methods exist for protein secondary structure prediction. Protein secondary structures can also be determined experimentally from circular dichroism, and infrared spectroscopic data using empirical analysis methods. It has been proposed that comparable accuracy can be obtained from sequence-based predictions as from these biophysical measurements. Here we have examined the secondary structure determination accuracies of sequence prediction methods with the empirically determined values from the spectroscopic data on datasets of proteins for which both crystal structures and spectroscopic data are available. In this study we show that the sequence prediction methods have accuracies nearly comparable to those of spectroscopic methods. However, we also demonstrate that combining the spectroscopic and sequences techniques produces significant overall improvements in secondary structure determinations. In addition, combining the extra information content available from synchrotron radiation circular dichroism data with sequence methods also shows improvements. Combining sequence prediction with experimentally determined spectroscopic methods for protein secondary structure content significantly enhances the accuracy of the overall results obtained.

  14. Combining sequence-based prediction methods and circular dichroism and infrared spectroscopic data to improve protein secondary structure determinations

    Directory of Open Access Journals (Sweden)

    Lees Jonathan G

    2008-01-01

    Full Text Available Abstract Background A number of sequence-based methods exist for protein secondary structure prediction. Protein secondary structures can also be determined experimentally from circular dichroism, and infrared spectroscopic data using empirical analysis methods. It has been proposed that comparable accuracy can be obtained from sequence-based predictions as from these biophysical measurements. Here we have examined the secondary structure determination accuracies of sequence prediction methods with the empirically determined values from the spectroscopic data on datasets of proteins for which both crystal structures and spectroscopic data are available. Results In this study we show that the sequence prediction methods have accuracies nearly comparable to those of spectroscopic methods. However, we also demonstrate that combining the spectroscopic and sequences techniques produces significant overall improvements in secondary structure determinations. In addition, combining the extra information content available from synchrotron radiation circular dichroism data with sequence methods also shows improvements. Conclusion Combining sequence prediction with experimentally determined spectroscopic methods for protein secondary structure content significantly enhances the accuracy of the overall results obtained.

  15. Preliminary Understanding of Surface Plasmon-Enhanced Circular Dichroism Spectroscopy by Single Particle Imaging

    Science.gov (United States)

    Zhan, Kangshu

    evaluated. Full spectrum reconstruction using a set of selected optical filters was carried out and data visualization using a Matlab based 3D mapping method was demonstrated. The third chapter describes the introduction of biomolecules in chiral particle studies. By measuring the circular dichroism spectrum and image of nanorods during lysozyme adsorption and denaturation, I was able to monitor the conformation change of proteins on large gapped nanorods. Experiment results suggested that the conformational change of absorbed protein could lead to the change of chiral signal of nanoparticles, suggesting the potentials of detecting biomolecular structural changes at the single nanoparticle level, though much uncertainty still present. The inherent high background of large, gapped nanoparticles when they interact with biomolecules led to the research described in the 4th chapter where I studied small palladium-silver coreshell nanoparticle properties and its interaction with proteins. SEM was used to characterize particles structures; UV-Vis and darkfield microscopy was used to capture particles' optical responses; and the finite-difference time-domain (FDTD) method was used to simulate resulting spectra and to compare with experimental outcomes. Lysozyme and bovine serum albumin (BSA) were used as the model molecules to study their conformational changes after being adsorbed onto particles. Last but the least, the 5th chapter is dedicated to FDTD simulation of a pair of perfectly shaped triangle nanoprisms to illustrate possible CD responses to be expected from extreme particles with sharp corners and much concentrated local EM field. Different coupling modes of triangle nanoprism were analyzed. It is found that many factors, such as particle orientation, spacing, and their relative position, could lead to significantly different coupling efficient, for both homodimers and heterodimers. The modeling data suggested interesting potentials of nanoparticles of extreme geometric

  16. Using the History of Electricity and Magnetism To Enhance Teaching.

    Science.gov (United States)

    Binnie, Anna

    2001-01-01

    Explains the properties of charged objects, the nature of an electric charge, and interactions between electricity and magnetism. Suggests that the development of modern ideas about electricity and magnetism were not a linear progression. (Contains 34 references.) (Author/YDS)

  17. High density linear systems for fusion power

    International Nuclear Information System (INIS)

    Ellis, W.R.; Krakowski, R.A.

    1975-01-01

    The physics and technological limitations and uncertainties associated with the linear theta pinch are discussed in terms of a generalized energy balance, which has as its basis the ratio (Q/sub E/) of total electrical energy generated to net electrical energy consumed. Included in this total is the virtual energy of bred fissile fuel, if a hybrid blanket is used, as well as the actual of real energy deposited in the blanket by the fusion neutron. The advantages and disadvantages of the pulsed operation demanded by the linear theta pinch are also discussed

  18. Absorption Linear Dichroism Measured Directly on a Single Light-Harvesting System: The Role of Disorder in Chlorosomes of Green Photosynthetic Bacteria

    Czech Academy of Sciences Publication Activity Database

    Furumaki, S.; Vácha, František; Habuchi, S.; Tsukatani, Y.; Bryant, D.A.; Vácha, M.

    2011-01-01

    Roč. 133, č. 17 (2011), s. 6703-6710 ISSN 0002-7863 R&D Projects: GA ČR GA206/09/0375 Institutional research plan: CEZ:AV0Z50510513 Keywords : CHLOROBIUM-TEPIDUM * BACTERIOCHLOROPHYLL-C * SUPRAMOLECULAR ORGANIZATION Subject RIV: EF - Botanics Impact factor: 9.907, year: 2011

  19. Economic impacts of current harmonic from nonlinear loads on residential electricity distribution networks; Impactos economicos dos harmonicos de corrente das cargas nao lineares em redes eletricas de distribuicao residenciais

    Energy Technology Data Exchange (ETDEWEB)

    Duarte, Carlos Henrique

    2010-04-15

    To achieve more efficient energy use, power electronics systems (PES) may be employed. However, this introduce nonlinear loads into the system by generating undesired frequencies that are harmonic in relation to (multiples of) the fundamental frequency (60 Hz in Brazil). Consequently, devices using PES (power electronics systems) are more efficient but also contribute significantly to degradation of power quality. Besides this, both the conventional rules on design and operation of power systems and the usual premises followed in energy efficiency programs (without mentioning the electricity consumed by the devices themselves) consider the sinusoidal voltage and current waveforms at the fixed fundamental frequency (60 Hz in Brazil) of the power grid. Thus, analysis of electricity consumption reductions in energy efficiency programs that include the use of PES considers the reduction of kWh to the final consumer but not the additional losses caused by the increase in harmonic distortion. This dissertation investigates this problem by exploring a case study of the ownership and use of television sets (TV sets) to estimate the economic impacts of residential PES on a mainly residential electricity distribution system. (author)

  20. Electrical Injuries

    Science.gov (United States)

    ... how quickly you get treatment. Causes of electrical injuries include Lightning strikes Faulty electrical appliances Work-related exposures Contact with household wiring or power lines Accidents in small children, when they bite or suck on electrical cords, ...

  1. Antiprotozoal Linear Furanosesterterpenoids from the Marine Sponge Ircinia oros.

    Science.gov (United States)

    Chianese, Giuseppina; Silber, Johanna; Luciano, Paolo; Merten, Christian; Erpenbeck, Dirk; Topaloglu, Bülent; Kaiser, Marcel; Tasdemir, Deniz

    2017-09-22

    Chemical investigation of the marine sponge Ircinia oros yielded four linear furanosesterterpenoids, including the known metabolites ircinin-1 (1) and ircinin-2 (2) and two new compounds, ircinialactam E (3) and ircinialactam F (4). Their chemical structures were elucidated by using a combination of [α] D , NMR, HRMS, and FT-IR spectroscopy. The absolute configuration of C-18 in compounds 1-3 was identified as R by electronic circular dichroism (ECD) spectroscopy coupled with time-dependent density functional theory calculations. Compounds 1-4 showed moderate leishmanicidal, trypanocidal, and antiplasmodial activities (IC 50 values 28-130 μM). This is the second report of rare glycinyl lactam derivatives 3 and 4 from the genus Ircinia.

  2. Electric-car simulation

    Science.gov (United States)

    Chapman, C. P.; Slusser, R. A.

    1980-01-01

    PARAMET, interactive simulation program for parametric studies of electric vehicles, guides user through simulation by menu and series of prompts for input parameters. Program considers aerodynamic drag, rolling resistance, linear and rotational acceleration, and road gradient as forces acting on vehicle.

  3. Magnetism of unconventional nanoscaled materials. An X-ray circular dichroism and muon spin rotation study

    International Nuclear Information System (INIS)

    Tietze, Thomas Hermann

    2014-01-01

    The physical properties of nanoparticles deviate strongly from its bulk counterparts. In particular, the magnetic properties change strongly due to an elevated number of surface compared to bulk atoms. As a consequence the orbital magnetic moment in nanoparticles as well as the magnetic anisotropy is enhanced. Therefore, such nanoparticles have great potential in e.g. next generation high density data storage devices. A promising way to realize such devices is to deposit nanoparticles on graphene. Depending on the preparation conditions the templated growth of nanocluster arrays with different particle size and shape is possible. Since graphene possesses outstanding properties as well it is congruous to combine the advantages of both systems and to investigate its principle properties in more detail. Thus, one part of this work is dedicated to the size and shape dependence of electronic and magnetic properties of Ni nanoclusters on graphene. The magnetic properties were investigated using X-ray Magnetic Circular Dichroism (XMCD). From the corresponding absorption spectra, the electronic structure and the nanoparticle substrate interaction could be determined. Two sets of nanoparticles were investigated, with triangular and spherical shape. For each set the size was varied. Nonmagnetic absorption spectra indicate a strong interaction between the Ni nanoclusters and the graphene substrate. The integrated absorption signal which is a measure of the number of unoccupied states in the Ni d shell decreases strongly with decreasing cluster size. This means an enhanced occupancy of the Ni d states, most likely caused by charge transfer at the Ni nanocluster/graphene interface. As a consequence the magnetic moment was much smaller than expected for nanoclusters for all samples investigated. The smallest value obtained was only 50% of the respective bulk magnetic moment. The magnetic moment increases disproportionally and converges towards bulk properties above 2 ML. No

  4. Conformational analysis of quinine and its pseudo enantiomer quinidine: a combined jet-cooled spectroscopy and vibrational circular dichroism study.

    Science.gov (United States)

    Sen, Ananya; Bouchet, Aude; Lepère, Valeria; Le Barbu-Debus, Katia; Scuderi, D; Piuzzi, F; Zehnacker-Rentien, A

    2012-08-16

    Laser-desorbed quinine and quinidine have been studied in the gas phase by combining supersonic expansion with laser spectroscopy, namely, laser-induced fluorescence (LIF), resonance-enhanced multiphoton ionization (REMPI), and IR-UV double resonance experiments. Density funtional theory (DFT) calculations have been done in conjunction with the experimental work. The first electronic transition of quinine and quinidine is of π-π* nature, and the studied molecules weakly fluoresce in the gas phase, in contrast to what was observed in solution (Qin, W. W.; et al. J. Phys. Chem. C2009, 113, 11790). The two pseudo enantiomers quinine and quinidine show limited differences in the gas phase; their main conformation is of open type as it is in solution. However, vibrational circular dichroism (VCD) experiments in solution show that additional conformers exist in condensed phase for quinidine, which are not observed for quinine. This difference in behavior between the two pseudo enantiomers is discussed.

  5. Thermolysis of (1R,2R)-1,2-dideuteriocyclobutane. An application of vibrational circular dichroism to kinetic analysis

    International Nuclear Information System (INIS)

    Chickos, J.S.; Annamalai, A.; Keiderling, T.A.

    1986-01-01

    The relative rates of geometric isomerization to racemization have been studied for the title compound by using a combination of infrared (IR) and vibrational circular dichroism (VCD) spectroscopies, respectively. The results are interpreted with a kinetic and mechanistic scheme which parallels that used by Berson, Pedersen, and Carpenter on a similar study of chiral cyclopropane-d 2 thermolysis. Relative rates of isomerization to stereomutation of 1.5 +/- 0.4 were obtained which can be interpreted to be consistent with a mechanism best described by random methylene rotation in tetramethylene-d 2 . This is the first application of VCD to kinetic analysis, and the advantages of IR techniques over the more usually employed UV spectroscopies to this type of basic mechanistic problem are illustrated

  6. Intrinsic and Extrinsic Ferromagnetism in Co-Doped Indium Tin Oxide Revealed Using X-Ray Magnetic Circular Dichroism

    Directory of Open Access Journals (Sweden)

    A. M. H. R. Hakimi

    2017-01-01

    Full Text Available The effects of high-temperature annealing on ferromagnetic Co-doped Indium Tin Oxide (ITO thin films have been investigated using X-ray diffraction (XRD, magnetometry, and X-Ray Magnetic Circular Dichroism (XMCD. Following annealing, the magnetometry results indicate the formation of Co clusters with a significant increase in the saturation magnetization of the thin films arising from defects introduced during cluster formation. However, sum rule analysis of the element-specific XMCD results shows that the magnetic moment at the Co sites is reduced after annealing. The effects of annealing demonstrate that the ferromagnetism observed in the as-deposited Co-doped ITO films arises from intrinsic defects and cannot be related to the segregation of metallic Co clusters.

  7. Kaempferol-human serum albumin interaction: Characterization of the induced chirality upon binding by experimental circular dichroism and TDDFT calculations

    Science.gov (United States)

    Matei, Iulia; Ionescu, Sorana; Hillebrand, Mihaela

    2012-10-01

    The experimental induced circular dichroism (ICD) and absorption spectra of the achiral flavonoid kaempferol upon binding to human serum albumin (HSA) were correlated to electronic CD and UV-vis spectra theoretically predicted by time-dependent density functional theory (TDDFT). The neutral and four anionic species of kaempferol in various conformations were considered in the calculations. The appearance of the experimental ICD signal was rationalized in terms of kaempferol binding to HSA in a distorted, chiral, rigid conformation. The comparison between the experimental and simulated spectra allowed for the identification of the kaempferol species that binds to HSA, namely the anion generated by deprotonation of the hydroxyl group in position 7. This approach constitutes a convenient method for evidencing the binding species and for determining its conformation in the binding pocket of the protein. Its main advantage over the UV-vis absorption method lays in the fact that only the bound ligand species gives an ICD signal.

  8. Investigation of binding behaviour of procainamide hydrochloride with human serum albumin using synchronous, 3D fluorescence and circular dichroism

    Directory of Open Access Journals (Sweden)

    Kirthi Byadagi

    2017-04-01

    Full Text Available Interaction of procainamide hydrochloride (PAH with human serum albumin (HSA is of great significance in understanding the pharmacokinetic and pharmacodynamic mechanisms of the drug. Multi-spectroscopic techniques were used to investigate the binding mode of PAH to HSA and results revealed the presence of static type of quenching mechanism. The number of binding sites, binding constants and thermodynamic parameters were calculated. The results showed a spontaneous binding of PAH to HSA and hydrophobic interactions played a major role. In addition, the distance between PAH and the Trp–214 was estimated employing the Förster's theory. Site marker competitive experiments indicated that the binding of PAH to HSA primarily took place in subdomain IIA (Sudlow's site I. The influence of interference of some common metal ions on the binding of PAH to HSA was studied. Synchronous fluorescence spectra (SFS, 3D fluorescence spectra and circular dichroism (CD results indicated the conformational changes in the structure of HSA.

  9. Wavelength dependent photoelectron circular dichroism of limonene studied by femtosecond multiphoton laser ionization and electron-ion coincidence imaging

    Science.gov (United States)

    Rafiee Fanood, Mohammad M.; Janssen, Maurice H. M.; Powis, Ivan

    2016-09-01

    Enantiomers of the monoterpene limonene have been investigated by (2 + 1) resonance enhanced multiphoton ionization and photoelectron circular dichroism employing tuneable, circularly polarized femtosecond laser pulses. Electron imaging detection provides 3D momentum measurement while electron-ion coincidence detection can be used to mass-tag individual electrons. Additional filtering, by accepting only parent ion tagged electrons, can be then used to provide discrimination against higher energy dissociative ionization mechanisms where more than three photons are absorbed to better delineate the two photon resonant, one photon ionization pathway. The promotion of different vibrational levels and, tentatively, different electronic ion core configurations in the intermediate Rydberg states can be achieved with different laser excitation wavelengths (420 nm, 412 nm, and 392 nm), in turn producing different state distributions in the resulting cations. Strong chiral asymmetries in the lab frame photoelectron angular distributions are quantified, and a comparison made with a single photon (synchrotron radiation) measurement at an equivalent photon energy.

  10. Determination of the composition, encapsulation efficiency and loading capacity in protein drug delivery systems using circular dichroism spectroscopy.

    Science.gov (United States)

    Peng, Zhili; Li, Shanghao; Han, Xu; Al-Youbi, Abdulrahman O; Bashammakh, Abdulaziz S; El-Shahawi, Mohammad S; Leblanc, Roger M

    2016-09-21

    Peptides and proteins have become very promising drug candidates in recent decades due to their unique properties. However, the application of these drugs has been limited by their high enzymatic susceptibility, low membrane permeability and poor bioavailability when administered orally. Considerable efforts have been made to design and develop drug delivery systems that could transport peptides and proteins to targeted area. Although it is of great importance to determine the composition after loading a drug to the carrier, the ability to do so is significantly limited by current analytical methods. In this letter, five important proteins, α1-antitrypsin, hemoglobin human, human serum albumin, human transferrin and r-globulin were chemically conjugated to two model drug carriers, namely carbon dots and polymer O-(2-carboxyethyl) polyethylene glycol. A simple yet convenient method based on circular dichroism spectroscopy was developed to determine the compositions of the various protein-carrier conjugates. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. X-ray magnetic circular dichroism and small angle neutron scattering studies of thiol capped gold nanoparticles

    International Nuclear Information System (INIS)

    de la Venta, J.; Bouzas, V.; Pucci, A.; Laguna-Marco, M.A.; Haskel, D.; te Velthuis, S.G.E; Hoffmann, A.; Lal, J.; Bleuel, M.; Ruggeri, G.; de Julian Fernandez, C.; Garcia, M.A.

    2009-01-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 · 10 -4 was found at the Au L 3 edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M s , of 0.06 emu/g Au . SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences

  12. X-ray magnetic circular dichroism and small angle neutron scattering studies of thiol capped gold nanoparticles.

    Science.gov (United States)

    de la Venta, J; Bouzas, V; Pucci, A; Laguna-Marco, M A; Haskel, D; te Velthuis, S G E; Hoffmann, A; Lal, J; Bleuel, M; Ruggeri, G; de Julián Fernández, C; García, M A

    2009-11-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 x 10(-4) was found at the Au L3 edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M(S), of 0.06 emu/g(Au). SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences.

  13. Circular magnetic X-ray dichroism at the K-absorption edge in Fe-Ni alloys

    International Nuclear Information System (INIS)

    Sakurai, Hiroshi; Itoh, Fumitake; Maruyama, Hiroshi; Koizumi, Akihisa; Kobayashi, Kenji; Yamazaki, Hitoshi; Tanji, Yasunori; Kawata, Hiroshi.

    1993-01-01

    The first systematic measurements of circular magnetic X-ray dichroism (CMXD) effects at the K-edge in 3d-transition metal alloys have been made in Fe-Ni alloy over a wide composition range. It has been found that the CMXD spectrum at the Fe K-edge is similar to that at the Ni K-edge in each alloy, indicating that the CMXD spectra at the K-edge mainly reflect an itinerant character of 4q-states. The features of the CMXD spectra correspond to those of X-ray absorption near-edge structure (XANES) spectra, reflecting the change of crystal structure. The signal intensities around the absorption edge energy, E 0 , have strong Ni concentration dependence, suggesting a close relationship between the CMXD effects around E 0 and the spin polarization of 3d-states. (author)

  14. Non-Steroidal Biphenyl Gelators: Correlation of Xerogel Structure with Solid-State Structure and Circular Dichroism Spectroscopy

    Directory of Open Access Journals (Sweden)

    H. Cristina Geiger

    2018-04-01

    Full Text Available Because the factors favoring the formation of well-formed single crystals are dissimilar to those conducive to gel formation, few examples of single-crystal structural characterizations of organogelators are found in the literature. A series of biphenyl methyl and ethyl diester derivatives of varying chain length were synthesized and their gelation abilities explored. X-ray diffraction of single crystals of one of the gelators reveals a columnar extended structure. Based on XRD results for xerogels obtained from the reported organogelators, the members of the series are isostructural and so also adopt a columnar superstructure. Scanning electron microscopy (SEM was used for the investigation of the morphology of the xerogels, which display either platelet-like morphologies or more typical entangled twisted ribbon-like aggregates. The gels exhibit chirality, which depends on the sol-gel transition history, as observed by induced circular dichroism (ICD spectroscopy.

  15. X-ray magnetic circular dichroism and small angle neutron scattering studies of thiol capped gold nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    de la Venta, J.; Bouzas, V.; Pucci, A.; Laguna-Marco, M. A.; Haskel, D.; te Velthuis, S. G. E; Hoffmann, A.; Lal, J.; Bleuel, M.; Ruggeri, G.; de Julian Fernandez, C.; Garcia, M. A.; Univ.Complutense de Madrid; Inst. de Magnetismo Aplicado; Univ. of Pisa; Lab. di Magnetismo Molecolare

    2009-01-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 {center_dot} 10{sup -4} was found at the Au L{sub 3} edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M{sub s}, of 0.06 emu/g{sub Au}. SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences.

  16. X-ray magnetic circular dichroism and small angle neutron scattering study of thiol capped gold nanoparticles.

    Energy Technology Data Exchange (ETDEWEB)

    de la Venta, J.; Bouzas, V.; Pucci, A.; Laguna-Marco, M. A.; Haskel, D.; Pinel, E. F.; te Velthuis, S. G. E.; Hoffmann, A.; Lal, J.; Bleuel, M.; Ruggeri, G.; de Julian, C.; Garcia, M. A.; Univ. Complutense de Madrid; Inst. de Magnetismo Aplicado UCM; Univ. Pisa; Univ. di Padova

    2009-11-01

    X-ray magnetic circular dichroism (XMCD) and Small Angle Neutron Scattering (SANS) measurements were performed on thiol capped Au nanoparticles (NPs) embedded into polyethylene. An XMCD signal of 0.8 {center_dot} 10{sup -4} was found at the Au L{sub 3} edge of thiol capped Au NPs embedded in a polyethylene matrix for which Superconducting Quantum Interference Device (SQUID) magnetometry yielded a saturation magnetization, M{sub s}, of 0.06 emu/g{sub Au}. SANS measurements showed that the 3.2 nm average-diameter nanoparticles are 28% polydispersed, but no detectable SANS magnetic signal was found with the resolution and sensitivity accessible with the neutron experiment. A comparison with previous experiments carried out on Au NPs and multilayers, yield to different values between XMCD signals and magnetization measured by SQUID magnetometer. We discuss the origin of those differences.

  17. Synthesis and studies of axial chiral bisbenzocoumarins: Aggregation-induced emission enhancement properties and aggregation-annihilation circular dichroism effects

    Science.gov (United States)

    Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kunpeng; Hu, Zhiqiang

    2018-03-01

    Axial chiral bisbenzocoumarins were synthesized for the first time by converting naphthanol units in 1,1‧-binaphthol (BINOL) molecule to the benzocoumarin rings. The substitute groups on 3,3‧-positions of bisbenzocoumarins showed significant influence on their aggregation-induced emission enhancement (AEE) properties. It was also found that BBzC1 with ester groups on 3,3‧-positions exhibit an abnormal aggregation-annihilation circular dichroism (AACD) phenomenon, which could be caused by the decrease of the dihedral angle between adjacent benzocoumarin rings in the aggregation state. The single crystal structure of BBzC1 showed that the large dihedral angle in molecule prohibited the strong π-π stacking interactions, which could be main factors for its AEE properties.

  18. Classifying Linear Canonical Relations

    OpenAIRE

    Lorand, Jonathan

    2015-01-01

    In this Master's thesis, we consider the problem of classifying, up to conjugation by linear symplectomorphisms, linear canonical relations (lagrangian correspondences) from a finite-dimensional symplectic vector space to itself. We give an elementary introduction to the theory of linear canonical relations and present partial results toward the classification problem. This exposition should be accessible to undergraduate students with a basic familiarity with linear algebra.

  19. Linear shaped charge

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  20. T-Slide Linear Actuators

    Science.gov (United States)

    Vranish, John

    2009-01-01

    T-slide linear actuators use gear bearing differential epicyclical transmissions (GBDETs) to directly drive a linear rack, which, in turn, performs the actuation. Conventional systems use a rotary power source in conjunction with a nut and screw to provide linear motion. Non-back-drive properties of GBDETs make the new actuator more direct and simpler. Versions of this approach will serve as a long-stroke, ultra-precision, position actuator for NASA science instruments, and as a rugged, linear actuator for NASA deployment duties. The T slide can operate effectively in the presence of side forces and torques. Versions of the actuator can perform ultra-precision positioning. A basic T-slide actuator is a long-stroke, rack-and-pinion linear actuator that, typically, consists of a T-slide, several idlers, a transmission to drive the slide (powered by an electric motor) and a housing that holds the entire assembly. The actuator is driven by gear action on its top surface, and is guided and constrained by gear-bearing idlers on its other two parallel surfaces. The geometry, implemented with gear-bearing technology, is particularly effective. An electronic motor operating through a GBDET can directly drive the T slide against large loads, as a rack and pinion linear actuator, with no break and no danger of back driving. The actuator drives the slide into position and stops. The slide holes position with power off and no brake, regardless of load. With the T slide configuration, this GBDET has an entire T-gear surface on which to operate. The GB idlers coupling the other two T slide parallel surfaces to their housing counterpart surfaces provide constraints in five degrees-of-freedom and rolling friction in the direction of actuation. Multiple GB idlers provide roller bearing strength sufficient to support efficient, rolling friction movement, even in the presence of large, resisting forces. T-slide actuators can be controlled using the combination of an off

  1. Model Building Using Linear Free Energy Relationship Parameters-Eliminating Calibration Curves for Optical Analysis of Enantiomeric Excess.

    Science.gov (United States)

    Lin, Chung-Yon; Lim, Stephanie; Anslyn, Eric V

    2016-07-06

    Linear free energy relationship (LFER) parameters are routinely used to parametrize physicochemical effects while investigating reaction mechanisms. In this Communication, we describe an alternate application for LFERs: training sets for model building in an analytical application. In this study, the sterics, quantified by Charton parameters (Δv), of nine secondary chiral alcohol analytes were correlated to the circular dichroism output from a chiral alcohol optical sensor. To test the validity of the model, the correlative linear model was applied to determine the enantiomeric excess of samples of two alcohols without a priori knowledge of a calibration curve. The error in this method was comparable to those of previous experimental methods (<5%).

  2. Spectral characteristics of fluorescence and circular dichroism of aflatoxin B1 reaction with its anti-idiotypic antibody

    Science.gov (United States)

    Liu, Aiping; Yang, Hongxiu; Wang, Xiaohong; Chen, Fusheng

    2012-11-01

    Aflatoxin B1 (AFB1) is a toxic secondary metabolite and sensitive methods for its analysis have been developed. In our lab, a number of works have been carried out, including exploitation of detection methods and production of anti-idiotypic antibody (Ab2) against Fab fragment of anti-AFB1 antibody (Ab1). In this paper, Ab2 was generated upon the immunization of mice with F(ab')2 fragment, which was specific to AFB1 and obtained by pepsin digestion of Ab1. The characteristics of Ab2 was primarily investigated by indirect competitive enzyme-linked immunosorbent assay (icELISA), which indicated that Ab2, might bear an internal image of antigen AFB1 and was able to combine to F(ab')2 in competition with AFB1, and the concentration of Ab2 to cause 50% inhibition of binding (IC50) was 131.8 μg/mL. In addition, fluorescence and circular dichroism studies were designed to explore the mutual relationship among AFB1, F(ab')2 and Ab2. The fluorescence spectroscopy implied that both AFB1 and Ab2 act as a quencher upon F(ab')2, and the Ab2 could compete with AFB1 when both of Ab2 and AFB1 reacted with F(ab')2. The circular dichroism (CD) spectrum suggested that both the binding of Ab2 and AFB1 on F(ab')2 brought secondary conformation change of F(ab')2, especially in the changes of α helix and β sheet. The research performed would provide unique insight into the comprehension of interaction among AFB1, F(ab')2 and Ab2 as well as offer structural information for substitution researches of toxic antigen like AFB1.

  3. Linear-Algebra Programs

    Science.gov (United States)

    Lawson, C. L.; Krogh, F. T.; Gold, S. S.; Kincaid, D. R.; Sullivan, J.; Williams, E.; Hanson, R. J.; Haskell, K.; Dongarra, J.; Moler, C. B.

    1982-01-01

    The Basic Linear Algebra Subprograms (BLAS) library is a collection of 38 FORTRAN-callable routines for performing basic operations of numerical linear algebra. BLAS library is portable and efficient source of basic operations for designers of programs involving linear algebriac computations. BLAS library is supplied in portable FORTRAN and Assembler code versions for IBM 370, UNIVAC 1100 and CDC 6000 series computers.

  4. On the dynamic analysis of piecewise-linear networks

    OpenAIRE

    Heemels, W.P.M.H.; Camlibel, M.K.; Schumacher, J.M.

    2002-01-01

    Piecewise-linear (PL) modeling is often used to approximate the behavior of nonlinear circuits. One of the possible PL modeling methodologies is based on the linear complementarity problem, and this approach has already been used extensively in the circuits and systems community for static networks. In this paper, the object of study will be dynamic electrical circuits that can be recast as linear complementarity systems, i.e., as interconnections of linear time-invariant differential equatio...

  5. Linear collider accelerator physics issues regarding alignment

    International Nuclear Information System (INIS)

    Seeman, J.T.

    1990-01-01

    The next generation of linear colliders will require more stringent alignment tolerances than those for the SLC with regard to the accelerating structures, quadrupoles, and beam position monitors. New techniques must be developed to achieve these tolerances. A combination of mechanical-electrical and beam-based methods will likely be needed

  6. Developing a Magnetic Circular Dichroism Apparatus Equipped with Neodymium Magnet for Students to Investigate the Electronic Structures of Transition Metals and Lanthanoids

    Science.gov (United States)

    Yakubu, Abdallah; Suzuki, Takayoshi; Kita, Masakazu

    2017-01-01

    This paper describes the development of a simple magnetic circular dichroism (MCD) apparatus from a wood base and neodymium magnets and its configuration in the Faraday alignment. The applicability and effectiveness of the apparatus for MCD spectra measurements have been examined. The apparatus was used by undergraduate students to conduct MCD…

  7. X-ray circular magnetic dichroism as a probe of spin reorientation transitions in Nd2Fe14B and Er2Fe14B systems

    International Nuclear Information System (INIS)

    Chaboy, J.; Marcelli, A.; Garcia, L.M.; Bartolome, J.; Kuz'min, M.D.; Maruyama, H.; Kobayashi, K.; Kawata, H.; Iwazumi, T.

    1995-01-01

    We present the first experimental observation of spin reorientation phase transitions (SRT) with the X-Ray circular magnetic dichroism (XCMD) technique. Both the first-order SRT in Er 2 Fe 14 B and the second-order one in Nd 2 Fe 14 B have been clearly detected, demonstrating the feasibility of this technique for studying SRTs. ((orig.))

  8. Formation and temperature stability of G-quadruplex structures studied by electronic and vibrational dichroism spectroscopy combined with ab initio calculations

    Czech Academy of Sciences Publication Activity Database

    Nový, J.; Böhm, S.; Králová, Jarmila; Král, V.; Urbanová, M.

    2008-01-01

    Roč. 89, č. 2 (2008), s. 144-152 ISSN 0006-3525 Institutional research plan: CEZ:AV0Z50520514 Keywords : vibrational circular dichroism * quadruplex * G-rich nucleotide Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 2.823, year: 2008

  9. Electropumping of water with rotating electric fields

    DEFF Research Database (Denmark)

    Hansen, Jesper Schmidt; De Luca, Sergio; Todd, Billy

    2013-01-01

    exploiting the coupling of spin angular momentum to linear streaming momentum. A spatially uniform rotating electric field is applied to water molecules, which couples to their permanent electric dipole moments. The resulting molecular rotational momentum is converted into linear streaming momentum...

  10. Non-linear oscillations

    CERN Document Server

    Hagedorn, Peter

    1982-01-01

    Thoroughly revised and updated, the second edition of this concise text provides an engineer's view of non-linear oscillations, explaining the most important phenomena and solution methods. Non-linear descriptions are important because under certain conditions there occur large deviations from the behaviors predicted by linear differential equations. In some cases, completely new phenomena arise that are not possible in purely linear systems. The theory of non-linear oscillations thus has important applications in classical mechanics, electronics, communications, biology, and many other branches of science. In addition to many other changes, this edition has a new section on bifurcation theory, including Hopf's theorem.

  11. Electronic structure and x-ray magnetic circular dichroism in A2CrB'O6 (A = Ca, Sr; B' = W, Re, and Os) oxides

    Science.gov (United States)

    Antonov, V. N.; Bekenov, L. V.

    2017-05-01

    A systematic electronic structure study of A2CrB'O6 (A = Ca, Sr; B' = W, Re, and Os) has been performed by employing the local spin-density approximation (LSDA) as well as the GGA and LSDA + U methods using the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. We investigated the effects of the subtle interplay among the spin-orbit coupling, electron correlations, and lattice distortion on the electronic structure of the double perovskites. First principles calculations predict that Sr2CrOsO6 is (before considering spin-orbit coupling) actually a ferrimagnetic semimetal with precisely compensating spin moments, or spin-asymmetric compensated semimetallic ferrimagnet in which the electrons and holes are each fully polarized and have opposite spin directions, in spite of a zero net moment and hence no macroscopic magnetic field. Spin-orbit coupling degrades this by giving a nonzero total moment, but the band structure is little changed. Therefore, the observed saturation moment of ferrimagnetic Sr2CrOsO6 is entirely due to spin-orbit coupling. The x-ray absorption spectra and x-ray magnetic circular dichroism at the W, Re, Os, and Cr L2,3, and Cr and O K edges were investigated theoretically from first principles. A qualitative explanation of the XMCD spectra shape is provided by the analysis of the corresponding selection rules, orbital character and occupation numbers of individual orbitals. The calculated results are in good agreement with experimental data. The complex fine structure of the Cr L2,3 XAS in Sr2CrWO6 and Sr2CrReO6 was found to be not compatible with a pure Cr3+ valency state. The interpretation demands mixed valent states. We found that possible oxygen vacancies lead to a mixed valency at the Cr site, double peak structure at the Cr L2,3 edges and reduce the saturation magnetization in Sr2CrWO6 and Sr2CrReO6.

  12. QUANTUM OPTICS. Universal linear optics.

    Science.gov (United States)

    Carolan, Jacques; Harrold, Christopher; Sparrow, Chris; Martín-López, Enrique; Russell, Nicholas J; Silverstone, Joshua W; Shadbolt, Peter J; Matsuda, Nobuyuki; Oguma, Manabu; Itoh, Mikitaka; Marshall, Graham D; Thompson, Mark G; Matthews, Jonathan C F; Hashimoto, Toshikazu; O'Brien, Jeremy L; Laing, Anthony

    2015-08-14

    Linear optics underpins fundamental tests of quantum mechanics and quantum technologies. We demonstrate a single reprogrammable optical circuit that is sufficient to implement all possible linear optical protocols up to the size of that circuit. Our six-mode universal system consists of a cascade of 15 Mach-Zehnder interferometers with 30 thermo-optic phase shifters integrated into a single photonic chip that is electrically and optically interfaced for arbitrary setting of all phase shifters, input of up to six photons, and their measurement with a 12-single-photon detector system. We programmed this system to implement heralded quantum logic and entangling gates, boson sampling with verification tests, and six-dimensional complex Hadamards. We implemented 100 Haar random unitaries with an average fidelity of 0.999 ± 0.001. Our system can be rapidly reprogrammed to implement these and any other linear optical protocol, pointing the way to applications across fundamental science and quantum technologies. Copyright © 2015, American Association for the Advancement of Science.

  13. ELECTRICITY DEMAND AND ELECTRICITY VALUE

    OpenAIRE

    Henry Lim; Glenn Jenkins

    2000-01-01

    The estimation of the demand for electricity is important in the appraisal of power projects because it often affects the benefits of the projects. For projects that involve a decision about the timing of investment- when to install new capacity to meet the demand- the precision of the electricity demand forecast can be critical. For others, when electric tariff policy is involved, it is essential to relate the demand for electricity with tariffs through the use of an electricity demand model...

  14. Linearly constrained minimax optimization

    DEFF Research Database (Denmark)

    Madsen, Kaj; Schjær-Jacobsen, Hans

    1978-01-01

    We present an algorithm for nonlinear minimax optimization subject to linear equality and inequality constraints which requires first order partial derivatives. The algorithm is based on successive linear approximations to the functions defining the problem. The resulting linear subproblems...... are solved in the minimax sense subject to the linear constraints. This ensures a feasible-point algorithm. Further, we introduce local bounds on the solutions of the linear subproblems, the bounds being adjusted automatically, depending on the quality of the linear approximations. It is proved...... that the algorithm will always converge to the set of stationary points of the problem, a stationary point being defined in terms of the generalized gradients of the minimax objective function. It is further proved that, under mild regularity conditions, the algorithm is identical to a quadratically convergent...

  15. Basic linear algebra

    CERN Document Server

    Blyth, T S

    2002-01-01

    Basic Linear Algebra is a text for first year students leading from concrete examples to abstract theorems, via tutorial-type exercises. More exercises (of the kind a student may expect in examination papers) are grouped at the end of each section. The book covers the most important basics of any first course on linear algebra, explaining the algebra of matrices with applications to analytic geometry, systems of linear equations, difference equations and complex numbers. Linear equations are treated via Hermite normal forms which provides a successful and concrete explanation of the notion of linear independence. Another important highlight is the connection between linear mappings and matrices leading to the change of basis theorem which opens the door to the notion of similarity. This new and revised edition features additional exercises and coverage of Cramer's rule (omitted from the first edition). However, it is the new, extra chapter on computer assistance that will be of particular interest to readers:...

  16. Linear Control Theory as Applied to Smart Structures

    National Research Council Canada - National Science Library

    Kantor, George A

    1995-01-01

    This thesis investigates linear control theory as applied to smart structures. Specifically, the problem of active vibration damping in a flexible cantilever beam using piezo-electric ceramic crystals (PZT...

  17. Efficient Non Linear Loudspeakers

    DEFF Research Database (Denmark)

    Petersen, Bo R.; Agerkvist, Finn T.

    2006-01-01

    Loudspeakers have traditionally been designed to be as linear as possible. However, as techniques for compensating non linearities are emerging, it becomes possible to use other design criteria. This paper present and examines a new idea for improving the efficiency of loudspeakers at high levels...... by changing the voice coil layout. This deliberate non-linear design has the benefit that a smaller amplifier can be used, which has the benefit of reducing system cost as well as reducing power consumption....

  18. Matrices and linear transformations

    CERN Document Server

    Cullen, Charles G

    1990-01-01

    ""Comprehensive . . . an excellent introduction to the subject."" - Electronic Engineer's Design Magazine.This introductory textbook, aimed at sophomore- and junior-level undergraduates in mathematics, engineering, and the physical sciences, offers a smooth, in-depth treatment of linear algebra and matrix theory. The major objects of study are matrices over an arbitrary field. Contents include Matrices and Linear Systems; Vector Spaces; Determinants; Linear Transformations; Similarity: Part I and Part II; Polynomials and Polynomial Matrices; Matrix Analysis; and Numerical Methods. The first

  19. X-ray magnetic dichroism: from quantitative determination of magnetic moments to imaging of magnetization dynamics; Dichroisme magnetique des rayons X: de la determination quantitative des moments magnetiques a l'imagerie de la dynamique de l'aimantation

    Energy Technology Data Exchange (ETDEWEB)

    Vogel, J

    2006-03-15

    In this document, I use some results of my research activities of the last ten years to show the power of x-ray magnetic dichroism for determining magnetic properties of thin layers, multilayers and nano-structures. The use of sum rules for x-ray dichroism allows a quantitative determination of the spin and orbital contributions to the magnetic moment, for each element of a heterogeneous material separately. Used in a qualitative way, x-ray dichroism allows monitoring the magnetization of the different layers in a multilayer material as a function of applied field. In combination with the temporal structure of synchrotron radiation, it is possible to study fast magnetization reversal with element selectivity, which is important for devices like spin valves and magnetic tunnel junctions. Adding the spatial resolution of a photoelectron emission microscope (PEEM), it becomes possible to study all the details of the fast magnetization reversal in complex magnetic systems. (author)

  20. Linear models with R

    CERN Document Server

    Faraway, Julian J

    2014-01-01

    A Hands-On Way to Learning Data AnalysisPart of the core of statistics, linear models are used to make predictions and explain the relationship between the response and the predictors. Understanding linear models is crucial to a broader competence in the practice of statistics. Linear Models with R, Second Edition explains how to use linear models in physical science, engineering, social science, and business applications. The book incorporates several improvements that reflect how the world of R has greatly expanded since the publication of the first edition.New to the Second EditionReorganiz

  1. Linear integrated circuits

    CERN Document Server

    Carr, Joseph

    1996-01-01

    The linear IC market is large and growing, as is the demand for well trained technicians and engineers who understand how these devices work and how to apply them. Linear Integrated Circuits provides in-depth coverage of the devices and their operation, but not at the expense of practical applications in which linear devices figure prominently. This book is written for a wide readership from FE and first degree students, to hobbyists and professionals.Chapter 1 offers a general introduction that will provide students with the foundations of linear IC technology. From chapter 2 onwa

  2. Superconducting linear accelerator cryostat

    International Nuclear Information System (INIS)

    Ben-Zvi, I.; Elkonin, B.V.; Sokolowski, J.S.

    1984-01-01

    A large vertical cryostat for a superconducting linear accelerator using quarter wave resonators has been developed. The essential technical details, operational experience and performance are described. (author)

  3. Electric emissions from electrical appliances

    International Nuclear Information System (INIS)

    Leitgeb, N.; Cech, R.; Schroettner, J.

    2008-01-01

    Electric emissions from electric appliances are frequently considered negligible, and standards consider electric appliances to comply without testing. By investigating 122 household devices of 63 different categories, it could be shown that emitted electric field levels do not justify general disregard. Electric reference values can be exceeded up to 11-fold. By numerical dosimetry with homogeneous human models, induced intra-corporal electric current densities were determined and factors calculated to elevate reference levels to accounting for reduced induction efficiency of inhomogeneous fields. These factors were found not high enough to allow generally concluding on compliance with basic restrictions without testing. Electric appliances usually simultaneously emit both electric and magnetic fields exposing almost the same body region. Since the sum of induced current densities is limited, one field component reduces the available margin for the other. Therefore, superposition of electric current densities induced by either field would merit consideration. (authors)

  4. Electricity Customers

    Science.gov (United States)

    Residential, commercial, and industrial customers each account for roughly one-third of the nation’s electricity use. The transportation sector also accounts for a small fraction of electricity, although it could increase.

  5. Linear Programming (LP)

    International Nuclear Information System (INIS)

    Rogner, H.H.

    1989-01-01

    The submitted sections on linear programming are extracted from 'Theorie und Technik der Planung' (1978) by W. Blaas and P. Henseler and reformulated for presentation at the Workshop. They consider a brief introduction to the theory of linear programming and to some essential aspects of the SIMPLEX solution algorithm for the purposes of economic planning processes. 1 fig

  6. The SLAC linear collider

    International Nuclear Information System (INIS)

    Richter, B.

    1985-01-01

    A report is given on the goals and progress of the SLAC Linear Collider. The author discusses the status of the machine and the detectors and give an overview of the physics which can be done at this new facility. He also gives some ideas on how (and why) large linear colliders of the future should be built

  7. Linear Logical Voting Protocols

    DEFF Research Database (Denmark)

    DeYoung, Henry; Schürmann, Carsten

    2012-01-01

    . In response, we promote linear logic as a high-level language for both specifying and implementing voting protocols. Our linear logical specifications of the single-winner first-past-the-post (SW- FPTP) and single transferable vote (STV) protocols demonstrate that this approach leads to concise...

  8. Racetrack linear accelerators

    International Nuclear Information System (INIS)

    Rowe, C.H.; Wilton, M.S. de.

    1979-01-01

    An improved recirculating electron beam linear accelerator of the racetrack type is described. The system comprises a beam path of four straight legs with four Pretzel bending magnets at the end of each leg to direct the beam into the next leg of the beam path. At least one of the beam path legs includes a linear accelerator. (UK)

  9. Semidefinite linear complementarity problems

    International Nuclear Information System (INIS)

    Eckhardt, U.

    1978-04-01

    Semidefinite linear complementarity problems arise by discretization of variational inequalities describing e.g. elastic contact problems, free boundary value problems etc. In the present paper linear complementarity problems are introduced and the theory as well as the numerical treatment of them are described. In the special case of semidefinite linear complementarity problems a numerical method is presented which combines the advantages of elimination and iteration methods without suffering from their drawbacks. This new method has very attractive properties since it has a high degree of invariance with respect to the representation of the set of all feasible solutions of a linear complementarity problem by linear inequalities. By means of some practical applications the properties of the new method are demonstrated. (orig.) [de

  10. Linear algebra done right

    CERN Document Server

    Axler, Sheldon

    2015-01-01

    This best-selling textbook for a second course in linear algebra is aimed at undergrad math majors and graduate students. The novel approach taken here banishes determinants to the end of the book. The text focuses on the central goal of linear algebra: understanding the structure of linear operators on finite-dimensional vector spaces. The author has taken unusual care to motivate concepts and to simplify proofs. A variety of interesting exercises in each chapter helps students understand and manipulate the objects of linear algebra. The third edition contains major improvements and revisions throughout the book. More than 300 new exercises have been added since the previous edition. Many new examples have been added to illustrate the key ideas of linear algebra. New topics covered in the book include product spaces, quotient spaces, and dual spaces. Beautiful new formatting creates pages with an unusually pleasant appearance in both print and electronic versions. No prerequisites are assumed other than the ...

  11. Design, analysis and fabrication of a linear permanent magnet ...

    Indian Academy of Sciences (India)

    MONOJIT SEAL

    Department of Electrical Engineering, Indian Institute of Engineering Science and Technology, Shibpur,. Howrah 711103, India ... Linear permanent magnet synchronous machine; LPMSM—fabrication; design optimisation; finite-element ...... LIM and simulation of its Robust control: ME Thesis, Dep- tartment of Electrical ...

  12. UV-visible microscope spectrophotometric polarization and dichroism with increased discrimination power in forensic analysis

    Science.gov (United States)

    Purcell, Dale Kevin

    merit investigated included: 1) wavelength accuracy, 2) wavelength precision, 3) wavelength resolution stability, 4) photometric accuracy, 5) photometric precision, 6) photometric linearity, 7) photometric noise, and 8) short-term baseline stability. In addition, intrinsic instrument polarization effects were investigated to determine the impact of these properties on spectral interpretation and data quality. Finally, a set of recommendations were developed which describe instrument performance characteristics for microscope and spectrometer features and functions, and specific instrument parameters that must be controlled in order to acquire high quality data from an ultraviolet-visible forensic microscope spectrophotometer system for increased discrimination power.

  13. Electrical contracting

    CERN Document Server

    Neidle, Michael

    2013-01-01

    Electrical Contracting, Second Edition is a nine-chapter text guide for the greater efficiency in planning and completing installations for the design, installation and control of electrical contracts. This book starts with a general overview of the efficient cabling and techniques that must be employed for safe wiring design, as well as the cost estimation of the complete electrical contract. The subsequent chapters are devoted to other electrical contracting requirements, including electronic motor control, lighting, and electricity tariffs. A chapter focuses on the IEE Wiring Regulations an

  14. Electric drives

    CERN Document Server

    Boldea, Ion

    2005-01-01

    ENERGY CONVERSION IN ELECTRIC DRIVESElectric Drives: A DefinitionApplication Range of Electric DrivesEnergy Savings Pay Off RapidlyGlobal Energy Savings Through PEC DrivesMotor/Mechanical Load MatchMotion/Time Profile MatchLoad Dynamics and StabilityMultiquadrant OperationPerformance IndexesProblemsELECTRIC MOTORS FOR DRIVESElectric Drives: A Typical ConfigurationElectric Motors for DrivesDC Brush MotorsConventional AC MotorsPower Electronic Converter Dependent MotorsEnergy Conversion in Electric Motors/GeneratorsPOWER ELECTRONIC CONVERTERS (PECs) FOR DRIVESPower Electronic Switches (PESs)The

  15. Probing Magnetism in the Vortex Phase of PuCoGa_{5} by X-Ray Magnetic Circular Dichroism.

    Science.gov (United States)

    Magnani, N; Eloirdi, R; Wilhelm, F; Colineau, E; Griveau, J-C; Shick, A B; Lander, G H; Rogalev, A; Caciuffo, R

    2017-10-13

    We measure x-ray magnetic circular dichroism (XMCD) spectra at the Pu M_{4,5} absorption edges from a newly prepared high-quality single crystal of the heavy-fermion superconductor ^{242}PuCoGa_{5}, exhibiting a critical temperature T_{c}=18.7  K. The experiment probes the vortex phase below T_{c} and shows that an external magnetic field induces a Pu 5f magnetic moment at 2 K equal to the temperature-independent moment measured in the normal phase up to 300 K by a superconducting quantum interference device. This observation is in agreement with theoretical models claiming that the Pu atoms in PuCoGa_{5} have a nonmagnetic singlet ground state resulting from the hybridization of the conduction electrons with the intermediate-valence 5f electronic shell. Unexpectedly, XMCD spectra show that the orbital component of the 5f magnetic moment increases significantly between 30 and 2 K; the antiparallel spin component increases as well, leaving the total moment practically constant. We suggest that this indicates a low-temperature breakdown of the complete Kondo-like screening of the local 5f moment.

  16. Albumin-induced circular dichroism in Congo red: Applications for studies of amyloid-like fibril aggregates and binding sites.

    Science.gov (United States)

    de Vasconcelos, Débora Naliati; Ximenes, Valdecir Farias

    2015-01-01

    Congo red (CR), one of the most commonly used dyes for the identification of amyloid fibril aggregates, is also a ligand of native bovine serum albumin (BSA). Induced circular dichroism (ICD) is a phenomenon observed when a chiral compound induces chirality in an achiral one. Here, we study the spectral properties and analytical applications of ICD in Congo red provoked by its interaction with BSA. The complex BSA:CR displays a strong ICD spectrum with a positive band at 412 nm and two negative bands at 356 and 490 nm. The use of site I and site II albumin ligands as warfarin and ibuprofen, respectively, provoked different alterations in the Congo red ICD spectrum. The BSA binding sites were modified by oxidation and the ICD signal was sensitive to this alteration. The thermal treatment of the BSA:CR complex (30-90 °C) was monitored by ICD at 490 nm and showed a sigmoidal pattern typical of phase transition in proteins. The altered ICD spectrum is consistent with the formation of amyloid-like fibril aggregates in BSA, which was confirmed by thioflavin T and Rayleigh scattering assays. In conclusion, the ICD provoked by the binding of Congo red to albumin may represent a new spectroscopic technique for studying alterations in the structure of albumin regarding its binding sites and the formation of amyloid aggregates. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Dimethyl Sulfoxide Induced Destabilization and Disassembly of Various Structural Variants of Insulin Fibrils Monitored by Vibrational Circular Dichroism.

    Science.gov (United States)

    Zhang, Ge; Babenko, Viktoria; Dzwolak, Wojciech; Keiderling, Timothy A

    2015-12-15

    Dimethyl sulfoxide (DMSO) induced destabilization of insulin fibrils has been previously studied by Fourier transform infrared spectroscopy and interpreted in terms of secondary structural changes. The variation of this process for fibrils with different types of higher-order morphological structures remained unclear. Here, we utilize vibrational circular dichroism (VCD), which has been reported to provide a useful biophysical probe of the supramolecular chirality of amyloid fibrils, to characterize changes in the macroscopic chirality following DMSO-induced disassembly for two types of insulin fibrils formed under different conditions, at different reduced pH values with and without added salt and agitation. We confirm that very high concentrations of DMSO can disaggregate both types of insulin fibrils, which initially maintained a β-sheet conformation and eventually changed their secondary structure to a disordered form. The two types responded to varying concentrations of DMSO, and disaggregation followed different mechanisms. Interconversion of specific insulin fibril morphological types also occurred during the destabilization process as monitored by VCD. With transmission electron microscopy, we were able to correlate the changes in VCD sign patterns to alteration of morphology of the insulin fibrils.

  18. Determination of the Absolute Configurations Using Exciton Chirality Method for Vibrational Circular Dichroism: Right Answers for the Wrong Reasons?

    Science.gov (United States)

    Covington, Cody L; Nicu, Valentin P; Polavarapu, Prasad L

    2015-10-22

    Quantum chemical (QC) predictions of vibrational circular dichroism (VCD) spectra for the keto form of 3-benzoylcamphor and conformationally flexible diacetates of spiroindicumide A and B are presented. The exciton chirality (EC) model has been briefly reviewed, and a procedure to evaluate the relevance of the EC model has been presented. The QC results are compared with literature experimental VCD spectra as well as with those obtained using the EC model for VCD. These comparisons reveal that the EC contributions to bisignate VCD couplets associated with the C═O stretching vibrations of benzoylcamphor, spiroindicumide A diacetate, and spiroindicumide B diacetate are only ∼30%, ∼3%, and ∼15%, respectively. With such meager EC contributions, the correct absolute configurations (ACs) suggested in the literature for spiroindicumide A diacetate and spiroindicumide B diacetate molecules using the EC concepts can be considered fortuitous. The possibilities for obtaining wrong AC predictions using the EC concepts for VCD are identified, and guidelines for the future use of this model are presented.

  19. Enhanced biocatalysis mechanism under microwave irradiation in isoquercitrin production revealed by circular dichroism and surface plasmon resonance spectroscopy.

    Science.gov (United States)

    Gong, An; Zhu, Dan; Mei, Yi-Yuan; Xu, Xiao-Hui; Wu, Fu-An; Wang, Jun

    2016-04-01

    An efficient and rapid process for isoquercitrin production by hesperidinase-catalyzed hydrolysis of rutin was successfully developed under microwave irradiation detecting the affinity by circular dichroism (CD) and surface plasmon resonance (SPR) spectroscopy. A maximum isoquercitrin yield of 91.5±2.7% was obtained in 10min with the conditions of 10g/L hesperidinase, 2g/L rutin, 30°C and microwave power density 88.9W/L. Enzymatic reaction rate and Vm/Km in the microwave reactor were 6.34-fold higher than in a continuous flow microreactor and 1.24-fold higher than in a biphasic system. CD and SPR analysis results also showed that hesperidinase has a better selectivity and affinity (3.3-fold than in a batch reactor) to generate isoquercitrin under microwave irradiation. Microwave irradiation greatly improved the reaction efficiency and productivity, leading to a more positive economical assessment. The binding affinity indicates the presence of strong multivalent interactions between rutin and hesperidinase under microwave irradiation. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra

    Science.gov (United States)

    Ke, Yaling; Zhao, Yi

    2017-05-01

    A theoretically solid and numerically exact method is presented for the calculation of absorption and circular dichroism (CD) spectra of molecular aggregates immersed in a harmonic bath constituted as the combination of some prominent quantized vibrational modes and continuous overdamped Brownian oscillators. The feasibility and the validity of newly proposed method are affirmed in the analytical monomer spectra. To go beyond the independent local bath approximation, all the correlations of site energy fluctuations and excitonic coupling fluctuations are included in our strategy, and their influence on the absorption and CD spectra is investigated based on the Frenkel exciton model of homodimer. In the end, a good fit of the absorption and part of CD spectra for the entire B800-B850 ring in the light-harvesting complexes 2 of purple bacteria to the experimental data is given, and the simulation results suggest that the asymmetry in the 800 nm region of CD spectra is actually an indication of B800-B850 inter-ring coupling.

  1. The amide III vibrational circular dichroism band as a probe to detect conformational preferences of alanine dipeptide in water.

    Science.gov (United States)

    Mirtič, Andreja; Merzel, Franci; Grdadolnik, Jože

    2014-07-01

    The conformational preferences of blocked alanine dipeptide (ADP), Ac-Ala-NHMe, in aqueous solution were studied using vibrational circular dichroism (VCD) together with density functional theory (DFT) calculations. DFT calculations of three most representative conformations of ADP surrounded by six explicit water molecules immersed in a dielectric continuum have proven high sensitivity of amide III VCD band shape that is characteristic for each conformation of the peptide backbone. The polyproline II (PII ) and αR conformation of ADP are associated with a positive VCD band while β conformation has a negative VCD band in amide III region. Knowing this spectral characteristic of each conformation allows us to assign the experimental amide III VCD spectrum of ADP. Moreover, the amide III region of the VCD spectrum was used to determine the relative populations of conformations of ADP in water. Based on the interpretation of the amide III region of VCD spectrum we have shown that dominant conformation of ADP in water is PII which is stabilized by hydrogen bonded water molecules between CO and NH groups on the peptide backbone. Copyright © 2014 Wiley Periodicals, Inc.

  2. Competitive binding of (-)-epigallocatechin-3-gallate and 5-fluorouracil to human serum albumin: A fluorescence and circular dichroism study

    Science.gov (United States)

    Yuan, Lixia; Liu, Min; Liu, Guiqin; Li, Dacheng; Wang, Zhengping; Wang, Bingquan; Han, Jun; Zhang, Min

    2017-02-01

    Combination therapy with more than one therapeutic agent can improve therapeutic efficiency and decrease drug resistance. In this study, the interactions of human serum albumin (HSA) with individual or combined anticancer drugs, (-)-epigallocatechin-3-gallate (EGCG) and 5-fluorouracil (FU), were investigated by fluorescence and circular dichroism (CD) spectroscopy. The results demonstrated that the interaction of EGCG or FU with HSA is a process of static quenching and EGCG formed a more stable complex. The competitive experiments of site markers suggested that both anti-carcinogens mainly bound to site I (subdomain IIA). The interaction forces which play important roles in the binding process were discussed based on enthalpy and entropy changes. Moreover, the competition binding model for a ternary system was proposed so as to precisely calculate the binding parameters. The results demonstrated that one drug decreased the binding affinity of another drug with HSA, resulting in the increasing free drug concentration at the action sites. CD studies indicated that there was an alteration in HSA secondary structure due to the binding of EGCG and FU. It can be concluded that the combination of EGCG with FU may enhance anticancer efficacy. This finding may provide a theoretical basis for clinical treatments.

  3. Orbital and spin moments in the ferromagnetic superconductor URhGe by x-ray magnetic circular dichroism

    Science.gov (United States)

    Wilhelm, F.; Sanchez, J. P.; Brison, J.-P.; Aoki, D.; Shick, A. B.; Rogalev, A.

    2017-06-01

    The ferromagnetic superconductor URhGe has been investigated by high field magnetic circular dichroism (XMCD) at the U M4 ,5, Rh L2 ,3, and Ge K edges at 2.1 K and at applied fields up to 17 T. The XMCD performed at the M4 ,5 absorption edges allows us to determine the spectroscopic branching ratio and the 5 f electron contribution to the valence spin-orbit interaction. Combination with polarized neutron diffraction results allows us to derive the individual U orbital and spin moments and the magnetic-dipole contribution . There is no evidence for any change of the orbital-to-spin moment ratios across the spin reorientation transition at HR=12 T , when the field is applied along the initial hard b axis. We also confirm that the magnetism of URhGe is dominated by U , with the contribution of Rh representing only about 10 % of the macroscopic moment. The orbital and spin moments at the Rh site are found to be parallel to each other and parallel to the macroscopic magnetization, but an unexpectedly large orbital-to-spin moment ratio is observed. The XMCD at the Ge K edge reveals the presence of a small induced Ge 4 p orbital moment, parallel to the macroscopic magnetization. The results are discussed against predictions of the electronic band structure calculations by the density functional theory plus Coulomb U , including spin-orbit coupling (DFT +U +SOC ) .

  4. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    Science.gov (United States)

    Lee, Geon Joon; Sim, Geon Bo; Choi, Eun Ha; Kwon, Young-Wan; Kim, Jun Young; Jang, Siun; Kim, Seong Hwan

    2015-01-01

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  5. Optical and structural properties of plasma-treated Cordyceps bassiana spores as studied by circular dichroism, absorption, and fluorescence spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Geon Joon, E-mail: gjlee@kw.ac.kr; Sim, Geon Bo; Choi, Eun Ha [Plasma Bioscience Research Center/Department of Electrical and Biological Physics, Kwangwoon University, Seoul 139-701 (Korea, Republic of); Kwon, Young-Wan [KU-KIST Graduate School of Converging Science and Technology, Korea University, Seoul 136-701 (Korea, Republic of); Kim, Jun Young; Jang, Siun; Kim, Seong Hwan, E-mail: piceae@naver.com [Department of Microbiology and Institute of Basic Sciences, Dankook University, Cheonan 330-714 (Korea, Republic of)

    2015-01-14

    To understand the killing mechanism of fungal spores by plasma treatment, the optical, structural, and biological properties of the insect pathogenic fungus Cordyceps bassiana spores were studied. A nonthermal atmospheric-pressure plasma jet (APPJ) was used to treat the spores in aqueous solution. Optical emission spectra of the APPJ acquired in air indicated emission peaks corresponding to hydroxyl radicals and atomic oxygen. When the APPJ entered the aqueous solution, additional reactive species were derived from the interaction of plasma radicals with the aqueous solution. Fluorescence and absorption spectroscopy confirmed the generation of hydroxyl radicals and hydrogen peroxide in the plasma-activated water (PAW). Spore counting showed that plasma treatment significantly reduced spore viability. Absorption spectroscopy, circular dichroism (CD) spectroscopy, and agarose gel electrophoresis of the DNA extracted from plasma-treated spores showed a reduction in spore DNA content. The magnitude of the dip in the CD spectrum was lower in the plasma-treated spores than in the control, indicating that plasma treatment causes structural modifications and/or damage to cellular components. Tryptophan fluorescence intensity was lower in the plasma-treated spores than in the control, suggesting that plasma treatment modified cell wall proteins. Changes in spore viability and DNA content were attributed to structural modification of the cell wall by reactive species coming from the APPJ and the PAW. Our results provided evidence that the plasma radicals and the derived reactive species play critical roles in fungal spore inactivation.

  6. TD-DFT investigation of the magnetic circular dichroism spectra of some purine and pyrimidine bases of nucleic acids.

    Science.gov (United States)

    Fahleson, Tobias; Kauczor, Joanna; Norman, Patrick; Santoro, Fabrizio; Improta, Roberto; Coriani, Sonia

    2015-05-28

    We present a computational study of the magnetic circular dichroism (MCD) spectra in the 200-300 nm wavelength region of purine and its derivative hypoxanthine, as well as of the pyrimidine bases of nucleic acids uracil, thymine, and cytosine, using the B3LYP and CAM-B3LYP functionals. Solvent effects are investigated within the polarizable continuum model and by inclusion of explicit water molecules. In general, the computed spectra are found to be in good agreement with the experimental ones, apart from some overall blue shifts. Both the pseudo-A term shape of the MCD spectra of the purines and the B term shape of the spectra of pyrimidine bases are reproduced. Our calculations also correctly reproduce the reversed phase of the MCD bands in purine compared to that of its derivatives present in nucleic acids. Solvent effects are sizable and system specific, but they do not in general alter the qualitative shape of the spectra. The bands are dominated by the bright π → π* transitions, and our calculations in solution nicely reproduce their energy differences, improving the estimates obtained in the gas phase. Shoulders are predicted for purine and uracil due to n → π* excitations, but they are too weak to be observed in the experiment.

  7. Magnetic Circular Dichroism (MCD) Studies on MOVPE Grown InMnSb and InMnAs

    Science.gov (United States)

    Meeker, M. A.; Magill, B. A.; Khodaparast, G. A.; Saha, D.; Stanton, C. J.; McGill, S.; Wessels, B. W.

    2015-03-01

    Carrier-induced ferromagnetism in magnetic III-V semiconductors has opened up several opportunities for device applications as well as for fundamental studies of a material system in which itinerant carriers interact with the localized spins of magnetic impurities. The origin of the carrier-induced ferromagnetism is still an open and exciting question. In order to understand the hole mediated ferromagnetism, probing the band structure in these material systems is crucial. Here we present magnetic circular dichroism (MCD) studies on MOVPE grown InMnSb and InMnAs, both with Curie temperatures above 300K. The measurements were performed on samples with different Mn contents, with the laser excitation energy tuned from 0.92-1.45eV, and external magnetic fields ranging up to 31 Tesla. The measurements are compared with MCD calculations based on an 8 band Pidgeon-Brown model. Comparison of the experimental results with the theoretical calculations provides a direct method to estimate the sp-d Mn- electron/hole coupling constants. This work was supported by the NSF through Grant: DMR-0846834 Career Award, DMR-1105437, and DMR -1305666. Also supported by the Institute of Critical Technology and Applied Sciences (ICTAS) at Virginia Tech.

  8. Linear ubiquitination in immunity.

    Science.gov (United States)

    Shimizu, Yutaka; Taraborrelli, Lucia; Walczak, Henning

    2015-07-01

    Linear ubiquitination is a post-translational protein modification recently discovered to be crucial for innate and adaptive immune signaling. The function of linear ubiquitin chains is regulated at multiple levels: generation, recognition, and removal. These chains are generated by the linear ubiquitin chain assembly complex (LUBAC), the only known ubiquitin E3 capable of forming the linear ubiquitin linkage de novo. LUBAC is not only relevant for activation of nuclear factor-κB (NF-κB) and mitogen-activated protein kinases (MAPKs) in various signaling pathways, but importantly, it also regulates cell death downstream of immune receptors capable of inducing this response. Recognition of the linear ubiquitin linkage is specifically mediated by certain ubiquitin receptors, which is crucial for translation into the intended signaling outputs. LUBAC deficiency results in attenuated gene activation and increased cell death, causing pathologic conditions in both, mice, and humans. Removal of ubiquitin chains is mediated by deubiquitinases (DUBs). Two of them, OTULIN and CYLD, are constitutively associated with LUBAC. Here, we review the current knowledge on linear ubiquitination in immune signaling pathways and the biochemical mechanisms as to how linear polyubiquitin exerts its functions distinctly from those of other ubiquitin linkage types. © 2015 The Authors. Immunological Reviews Published by John Wiley & Sons Ltd.

  9. Multiband Circular Polarizer Based on Fission Transmission of Linearly Polarized Wave for X-Band Applications

    Directory of Open Access Journals (Sweden)

    Farman Ali Mangi

    2016-01-01

    Full Text Available A multiband circular polarizer based on fission transmission of linearly polarized wave for x-band application is proposed, which is constructed of 2 × 2 metallic strips array. The linear-to-circular polarization conversion is obtained by decomposing the linearly incident x-polarized wave into two orthogonal vector components of equal amplitude and 90° phase difference between them. The innovative approach of “fission transmission of linear-to-circular polarized wave” is firstly introduced to obtain giant circular dichroism based on decomposition of orthogonal vector components through the structure. It means that the incident linearly polarized wave is converted into two orthogonal components through lower printed metallic strips layer and two transmitted waves impinge on the upper printed strips layer to convert into four orthogonal vector components at the end of structure. This projection and transmission sequence of orthogonal components sustain the chain transmission of electromagnetic wave and can achieve giant circular dichroism. Theoretical analysis and microwave experiments are presented to validate the performance of the structure. The measured results are in good agreement with simulation results. In addition, the proposed circular polarizer exhibits the optimal performance with respect to the normal incidence. The right handed circularly polarized wave is emitted ranging from 10.08 GHz to 10.53 GHz and 10.78 GHz to 11.12 GHz, while the left handed circular polarized wave is excited at 10.54 GHz–10.70 GHz and 11.13 GHz–11.14 GHz, respectively.

  10. Measurement of electron-spin transports in GaAs quantum wells using a transmission-grating-sampled circular dichroism absorption spectroscopy

    International Nuclear Information System (INIS)

    Yu, Hua-Liang; Fang, Shaoyin; Wen, Jinhui; Lai, Tianshu

    2014-01-01

    A transmission-grating-sampled circular dichroism absorption spectroscopy (TGS-CDAS) and its theoretical model are developed sensitively to measure decay dynamics of a transient spin grating (TSG). A binary transmission grating with the same period as TSG is set behind TSG. It allows only a same small part of each period in TSG measured by circular dichroism absorption effect of a probe. In this way, the zero average of spin-dependent effects measured over a whole period in TSG is avoided so that TGS-CDAS has a high sensitivity to spin evolution in TSG. Spin transport experiments are performed on GaAs/AlGaAs quantum wells. Experimental results prove the feasibility and reliability of TGS-CDAS

  11. Matrices and linear algebra

    CERN Document Server

    Schneider, Hans

    1989-01-01

    Linear algebra is one of the central disciplines in mathematics. A student of pure mathematics must know linear algebra if he is to continue with modern algebra or functional analysis. Much of the mathematics now taught to engineers and physicists requires it.This well-known and highly regarded text makes the subject accessible to undergraduates with little mathematical experience. Written mainly for students in physics, engineering, economics, and other fields outside mathematics, the book gives the theory of matrices and applications to systems of linear equations, as well as many related t

  12. Linearizing W-algebras

    International Nuclear Information System (INIS)

    Krivonos, S.O.; Sorin, A.S.

    1994-06-01

    We show that the Zamolodchikov's and Polyakov-Bershadsky nonlinear algebras W 3 and W (2) 3 can be embedded as subalgebras into some linear algebras with finite set of currents. Using these linear algebras we find new field realizations of W (2) 3 and W 3 which could be a starting point for constructing new versions of W-string theories. We also reveal a number of hidden relationships between W 3 and W (2) 3 . We conjecture that similar linear algebras can exist for other W-algebra as well. (author). 10 refs

  13. Linearity in Process Languages

    DEFF Research Database (Denmark)

    Nygaard, Mikkel; Winskel, Glynn

    2002-01-01

    The meaning and mathematical consequences of linearity (managing without a presumed ability to copy) are studied for a path-based model of processes which is also a model of affine-linear logic. This connection yields an affine-linear language for processes, automatically respecting open......-map bisimulation, in which a range of process operations can be expressed. An operational semantics is provided for the tensor fragment of the language. Different ways to make assemblies of processes lead to different choices of exponential, some of which respect bisimulation....

  14. Systematized linear epidermolytic hyperkeratosis.

    Science.gov (United States)

    Kumar, Piyush; Kumar, Rajesh; Mandal, Rajesh Kumar; Hassan, Shahid

    2014-01-15

    A 5-year-old boy presented with widespread asymptomatic hyperpigmented verrucous plaques since 3 months of age. The lesions were distributed in a linear manner along Blaschko's lines on trunk and extremities and were accentuated in flexures and around joints. There was no history of blistering or redness and no other family member was affected. Ichthyosis hystrix (of Curth and Macklin) and generalized linear/mosaic epidermolytic hyperkeratosis (EHK) were considered in the differential diagnosis. Biopsy from both trunk lesion and lesion on knee revealed characteristic epidermolytic hyperkeratosis, thereby clinching the diagnosis of systematized linear EHK.

  15. Applied linear regression

    CERN Document Server

    Weisberg, Sanford

    2013-01-01

    Praise for the Third Edition ""...this is an excellent book which could easily be used as a course text...""-International Statistical Institute The Fourth Edition of Applied Linear Regression provides a thorough update of the basic theory and methodology of linear regression modeling. Demonstrating the practical applications of linear regression analysis techniques, the Fourth Edition uses interesting, real-world exercises and examples. Stressing central concepts such as model building, understanding parameters, assessing fit and reliability, and drawing conclusions, the new edition illus

  16. Elements of linear space

    CERN Document Server

    Amir-Moez, A R; Sneddon, I N

    1962-01-01

    Elements of Linear Space is a detailed treatment of the elements of linear spaces, including real spaces with no more than three dimensions and complex n-dimensional spaces. The geometry of conic sections and quadric surfaces is considered, along with algebraic structures, especially vector spaces and transformations. Problems drawn from various branches of geometry are given.Comprised of 12 chapters, this volume begins with an introduction to real Euclidean space, followed by a discussion on linear transformations and matrices. The addition and multiplication of transformations and matrices a

  17. Linear Motor for Drive of Belt Conveyor

    Directory of Open Access Journals (Sweden)

    Milan Krasl

    2006-01-01

    Full Text Available This paper introduces a novel approach on the design of a linear motor for drive of belt conveyor (LMBC. The motor is a simple combination of asynchronous motor in plane. The electromagnetic forces is one of the most important parameters of electrical machines. This parameter is necessary for the checking of the design. This paper describes several variants: linear motor with slots in platens, slots in one half of platens and optimization of slots. The electromagnetic force can be found with the help of a Finite Elements Method – based program. For solution was used QuickField program.

  18. A dynamic linearization concept for piezoelectric actuators.

    Science.gov (United States)

    Biancuzzi, Giovanni; Haller, Daniel; Lemke, Thomas; Wischke, Martin; Goldschmidtboeing, Frank; Woias, Peter

    2011-04-01

    We present a linearization circuit based on a capacitive Wheatstone bridge that is able to set a desired polarization in a piezoactuator. The system is meant to be used for dynamic actuation in a broad frequency range. A general nonlinear model for piezoactuators is presented in which two nonlinear sub-systems are cascaded: the electric-field-to-polarization (E-P) and the polarization-to-strain (P-x) blocks. The inversion of the latter sub-system in combination with the linearization bridge results in a reduction of up to 19 dB of the harmonic distortion of the actuator's mechanical displacement. © 2011 IEEE

  19. Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects

    Czech Academy of Sciences Publication Activity Database

    Kim, J.; Kapitán, Josef; Lakhani, A.; Bouř, Petr; Keiderling, T. A.

    2008-01-01

    Roč. 119, 1/3 (2008), s. 81-97 ISSN 1432-881X R&D Projects: GA ČR GA203/06/0420 Grant - others:NSF(US) CHE03-16014 Institutional research plan: CEZ:AV0Z40550506 Keywords : peptide beta -turn * density functional theory * infrared absorption * vibrational circular dichroism Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.370, year: 2008

  20. X-ray magnetic circular dichroism at IrL2,3 edges in Fe100−xIrx and ...

    Indian Academy of Sciences (India)

    X-ray magnetic circular dichroism at IrL2,3 edges in Fe100−xIrx and Co100−xIrx alloys: Magnetism of 5d electronic states. V V KRISHNAMURTHY1,∗. , M SUZUKI2, N KAWAMURA2 and T ISHIKAWA1,2. 1RIKEN Harima Institute, SPring8, 1-1-1 Kouto, Mikazuki, Sayo, Hyogo 679-5148, Japan. 2Japan Synchrotron Radiation ...

  1. Linear Generator for a Free Piston Stirling Engine

    OpenAIRE

    OROS (POP) Teodora Susana; VADAN Ioan; POP Radu; BRAD Claudiu

    2014-01-01

    In this paper we present some aspects about the design of a Stirling engine driven linear generator. There are summarised the main steps of the magnetic and electric calculations with application to a particular case of a cogeneration plant bassed on Stirling engine. The designed linear generator is of fixed coil and moving magnets type. There are presented and a finite element method (FEM) simulation of magnetic field. The linear generator design starts with the characteristics of the rare e...

  2. Electric shock and electrical fire specialty

    International Nuclear Information System (INIS)

    2011-02-01

    This book deals with electric shock and electrical fire, which is made up seven chapters. It describes of special measurement for electric shock and electrical fire. It mentions concretely about electrical fire analysis and precautionary measurement, electrical shock analysis cases, occurrence of static electricity and measurement, gas accident, analysis of equipment accident and precautionary measurement. The book is published to educate the measurement on electric shock and electrical fire by electrical safety technology education center in Korea Electrical Safety Corporation.

  3. Atmospheric electricity

    CERN Document Server

    Chalmers, J Alan

    1957-01-01

    Atmospheric Electricity brings together numerous studies on various aspects of atmospheric electricity. This book is composed of 13 chapters that cover the main problems in the field, including the maintenance of the negative charge on the earth and the origin of the charges in thunderstorms. After a brief overview of the historical developments of atmospheric electricity, this book goes on dealing with the general principles, results, methods, and the MKS system of the field. The succeeding chapters are devoted to some aspects of electricity in the atmosphere, such as the occurrence and d

  4. Electric Substations

    Data.gov (United States)

    Department of Homeland Security — Substations. Substations are facilities and equipment that switch, transform, or regulate electric voltage. The Substations feature class includes taps, a location...

  5. Polyglutamine- and temperature-dependent conformational rigidity in mutant huntingtin revealed by immunoassays and circular dichroism spectroscopy.

    Directory of Open Access Journals (Sweden)

    Valentina Fodale

    Full Text Available In Huntington's disease, expansion of a CAG triplet repeat occurs in exon 1 of the huntingtin gene (HTT, resulting in a protein bearing>35 polyglutamine residues whose N-terminal fragments display a high propensity to misfold and aggregate. Recent data demonstrate that polyglutamine expansion results in conformational changes in the huntingtin protein (HTT, which likely influence its biological and biophysical properties. Developing assays to characterize and measure these conformational changes in isolated proteins and biological samples would advance the testing of novel therapeutic approaches aimed at correcting mutant HTT misfolding. Time-resolved Förster energy transfer (TR-FRET-based assays represent high-throughput, homogeneous, sensitive immunoassays widely employed for the quantification of proteins of interest. TR-FRET is extremely sensitive to small distances and can therefore provide conformational information based on detection of exposure and relative position of epitopes present on the target protein as recognized by selective antibodies. We have previously reported TR-FRET assays to quantify HTT proteins based on the use of antibodies specific for different amino-terminal HTT epitopes. Here, we investigate the possibility of interrogating HTT protein conformation using these assays.By performing TR-FRET measurements on the same samples (purified recombinant proteins or lysates from cells expressing HTT fragments or full length protein at different temperatures, we have discovered a temperature-dependent, reversible, polyglutamine-dependent conformational change of wild type and expanded mutant HTT proteins. Circular dichroism spectroscopy confirms the temperature and polyglutamine-dependent change in HTT structure, revealing an effect of polyglutamine length and of temperature on the alpha-helical content of the protein.The temperature- and polyglutamine-dependent effects observed with TR-FRET on HTT proteins represent a simple

  6. Ag(I)-mediated homo and hetero pairs of guanosine and cytidine: monitoring by circular dichroism spectroscopy.

    Science.gov (United States)

    Goncharova, Iryna

    2014-01-24

    Ag(I)-containing compounds are attractive as antibacterial and antifungal agents. The renewed interest in the application of silver(I) compounds has led to the need for detailed knowledge of the mechanism of their action. One of the possible ways is the coordination of Ag(I) to G-C pairs of DNA, where Ag(+) ions form Ag(I)-mediated base pairs and inhibit the transcription. Herein, a systematic chiroptical study on silver(I)-mediated homo and mixed pairs of the C-G complementary-base derivatives cytidine(C) and 5'-guanosine monophosphate(G) in water is presented. Ag(I)-mediated homo and hetero pairs of G and C and their self-assembled species were studied under two pH levels (7.0 and 10.0) by vibrational (VCD) and electronic circular dichroism(ECD). VCD was used for the first time in this field and showed itself to be a powerful method for obtaining specific structural information in solution. Based on results of the VCD experiments, the different geometries of the homo pairs were proposed under pH 7.0 and 10.0. ECD was used as a diagnostic tool to characterize the studied systems and as a contact point between the previously defined structures of the metal or proton mediated pairs of nucleobases and the systems studied here. On the basis of the obtained data, the formation of the self-assembled species of cytidine with a structure similar to the i-motif structure in DNA was proposed at pH 10.0. Copyright © 2013 Elsevier B.V. All rights reserved.

  7. Protein-containing PEGylated cubosomic particles: freeze-fracture electron microscopy and synchrotron radiation circular dichroism study.

    Science.gov (United States)

    Angelov, Borislav; Angelova, Angelina; Papahadjopoulos-Sternberg, Brigitte; Hoffmann, Søren V; Nicolas, Valérie; Lesieur, Sylviane

    2012-07-05

    The purpose of this work is to investigate the entrapment of protein molecules in cubosomic nanocarriers that are sterically stabilized by an amphiphilic poly(ethylene glycol) (PEG) derivative. Toward that aim, the mechanism of fragmentation of a self-assembled, PEGylated cubic lipid phase into nanoparticles (NPs) is investigated in excess aqueous medium. The molar ratio between the cubic-phase-forming lipid monoolein (MO) and its PEGylated derivative (MO-PEG(2000)) is selected as to favor the formation of inverted-type liquid-crystalline (LC) structures (permitting one to reveal the stages of the fragmentation and bicontinuous membrane NP assembly process) rather than a phase transformation to lamellar or micellar phases. The PEGylated amphiphile considerably affects the interfacial curvature of the cubic lipid membrane and, under agitation, contributes to the fragmentation of the bicontinuous cubic lattice into NPs. Freeze-fracture electron microscopy (FF-EM), quasi-elastic light scattering (QELS), and confocal laser scanning fluorescence microscopy (CLSFM) are applied for determination of the NPs' sizes, inner organization, and stability with regard to a thermal stimulus. Entrapped protein molecules can essentially stabilize the cubosomic particles (proteocubosomes), which display well-defined inner organization of nanochannels in their freeze-fracture planes. The protein α-chymotrypsinogen A is studied in proteocubosome dispersions by means of far-UV synchrotron radiation circular dichroism (SRCD) spectroscopy. It is suggested that the protein molecules are entrapped in the interior of the PEGylated cubosomes via a "nanopockets" mechanism. The LC PEGylated proteocubosomes offer new possibilities for investigation of protein loading in sterically stabilized ("Stealth") nanostructured lipid carriers, which differ from Poloxamer-stabilized isasomes.

  8. Perpendicular magnetic anisotropy in amorphous NdxCo1 -x thin films studied by x-ray magnetic circular dichroism

    Science.gov (United States)

    Cid, R.; Alameda, J. M.; Valvidares, S. M.; Cezar, J. C.; Bencok, P.; Brookes, N. B.; Díaz, J.

    2017-06-01

    The origin of perpendicular magnetic anisotropy (PMA) in amorphous NdxCo1 -x thin films is investigated using x-ray magnetic circular dichroism (XMCD) spectroscopy at the Co L2 ,3 and Nd M4 ,5 edges. The magnetic orbital and spin moments of the 3 d cobalt and 4 f neodymium electrons were measured as a function of the magnetic field orientation, neodymium concentration, and temperature. In all the studied samples, the magnetic anisotropy of the neodymium subnetwork is always oriented perpendicular to the plane, whereas the anisotropy of the orbital moment of cobalt is in the basal plane. The ratio Lz/Sz of the neodymium 4 f orbitals changes with the sample orientation angle, being higher and closer to the atomic expected value at normal orientation and smaller at grazing angles. This result is well explained by assuming that the 4 f orbital is distorted by the effect of an anisotropic crystal field when it is magnetized along its hard axis, clearly indicating that the 4 f states are not rotationally invariant. The magnetic anisotropy energy associated to the neodymium subnetwork should be proportional to this distortion, which we demonstrate is accessible by applying the XMCD sum rules for the spin and intensity at the Nd M4 ,5 edges. The analysis unveils a significant portion of neodymium atoms magnetically uncoupled to cobalt, i.e., paramagnetic, confirming the inhomogeneity of the films and the presence of a highly disordered neodymium rich phase already detected by extended x-ray-absorption fine structure (EXAFS) spectroscopy. The presence of these inhomogeneities is inherent to the evaporation preparation method when the chosen concentration in the alloy is far from its eutectic concentrations. An interesting consequence of the particular way in which cobalt and neodymium segregates in this system is the enhancement of the cobalt spin moment which reaches 1.95 μB in the sample with the largest segregation.

  9. X-ray magnetic circular dichroism in d and f ferromagnetic materials: recent theoretical progress. Part II

    International Nuclear Information System (INIS)

    Antonov, V.N.; Shpak, A.P.; Yares'ko, A.N.

    2008-01-01

    The present state of theoretical understanding of the x-ray magnetic circular dichroism (XMCD) of 4f and 5f compounds is reviewed. Energy band theory based upon the local spin-density approximation (LSDA) describes the XMCD spectra of transition metal compounds with high accuracy. However, the LSDA does not suffice for lanthanide compounds which have a correlated 4f shell. A satisfactory description of the XMCD spectra could be obtained by using a generalization of the LSDA, in which explicitly f electron Coulomb correlations are taken into account (LSDA+U approach). As examples of this group we consider the compound GdN. We also consider uranium 5f compounds. In those compounds where the 5f electrons are rather delocalized, the LSDA describes the XMCD spectra reasonably well. As an example of this group we consider UFe 2 . Particular differences occur for uranium compounds in which the 5f electrons are neither delocalized nor localized, but more or less semilocalized. Typical examples are UXAl (X=Co, Rh, and Pt), and UX (X=S, Se, Te). However, the semilocalized 5f's are not inert, but their interaction with conduction electrons plays an important role. We also consider the electronic structure and XMCD spectra of the heavy-fermion compounds UPt 3 , URu 2 Si 2 , UPd 2 Al 3 , UNi 2 Al 3 , and UBe 13 , where the degree of the 5f localization is increased in comparison with other uranium compounds. The electronic structure and XMCD spectra of UGe 2 which possesses simultaneously ferromagnetism and superconductivity also presented. Recently achieved improvements for describing 5f compounds are discussed

  10. A combined binding mechanism of nonionic ethoxylated surfactants to bovine serum albumin revealed by fluorescence and circular dichroism.

    Science.gov (United States)

    Iovescu, Alina; Băran, Adriana; Stîngă, Gabriela; Cantemir-Leontieş, Anca Ruxandra; Maxim, Monica Elisabeta; Anghel, Dan Florin

    2015-12-01

    The study systematically investigates aqueous mixtures of fixed bovine serum albumin (BSA) and various ethoxylated nonionic surfactants belonging to a homologous series or not. Mono-disperse tetra-(C12E4), hexa-(C12E6) and octa-ethyleneglycol mono-n-dodecyl ether (C12E8), and poly-disperse eicosa-ethyleneglycol mono-n-tetradecyl ether (C14EO20) are respectively employed. Fluorescence and circular dichroism measurements are performed at surfactant/protein molar ratios (rm)s lower and higher than one. We aim to get new insights into the binding mechanism of these species and to differentiate among the interaction abilities of these surfactants. The relative magnitude of the binding thermodynamic parameters by fluorescence, and the increase of α-helix prove that hydrogen bonding drives the interaction next to the hydrophobic attraction. C12En (n=4,6,8) develop more H bonds with the albumin than C14EO20 owing to a zigzag conformation of their short ethyleneoxide chains. Among the homologous surfactants, C12E6 has a slightly stronger interaction with BSA due to a maximal number of H bonds at a minimal hindering. Static fluorescence and dynamic fluorescence indicate an inter-conversion between the tryptophan (Trp) rotamers which happens around the surfactants critical micellar concentration. For C14EO20, the meander conformation of the polar group determines a less evident conversion of the Trp rotamers and smaller α-helix rise. Binding isotherms of the homologous surfactants and the fluorescence quenching mechanism by C12E6 are also provided. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Surface plasmon resonance and circular dichroism characterization of cucurbitacins binding to serum albumins for early pharmacokinetic profiling.

    Science.gov (United States)

    Fabini, Edoardo; Fiori, Giovana Maria Lanchoti; Tedesco, Daniele; Lopes, Norberto Peporine; Bertucci, Carlo

    2016-04-15

    Cucurbitacins are a group of tetracyclic triterpenoids, known for centuries for their anti-cancer and anti-inflammatory properties, which are being actively investigated over the past decades in order to elucidate their mechanism of action. In perspective of being used as therapeutic molecules, a pharmacokinetic characterization is crucial to assess the affinity toward blood carrier proteins and extrapolate distribution volumes. Usually, pharmacokinetic data are first collected on animal models and later translated to humans; therefore, an early characterization of the interaction with carrier proteins from different species is highly desirable. In the present study, the interactions of cucurbitacins E and I with human and rat serum albumins (HSA and RSA) were investigated by means of surface plasmon resonance (SPR)-based optical biosensing and circular dichroism (CD) spectroscopy. Active HSA and RSA sensor chip surfaces were prepared through an amine coupling reaction protocol, and the equilibrium dissociation constants (Kd) for the different cucurbitacins-serum albumins complexes were then determined by SPR analysis. Further information on the binding of cucurbitacins to serum albumins was obtained by CD competition experiments with biliverdin, a specific marker binding to subdomain IB of HSA. SPR data unveiled a previously unreported binding event between CucI and HSA; the determined binding affinities of both compounds were slightly higher for RSA with respect to HSA, even though all the compounds can be ranked as high-affinity binders for both carriers. CD analysis showed that the two cucurbitacins modify the binding of biliverdin to serum albumins through opposite allosteric modulation (positive for HSA, negative for RSA), confirming the need for caution in the translation of pharmacokinetic data across species. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Further linear algebra

    CERN Document Server

    Blyth, T S

    2002-01-01

    Most of the introductory courses on linear algebra develop the basic theory of finite­ dimensional vector spaces, and in so doing relate the notion of a linear mapping to that of a matrix. Generally speaking, such courses culminate in the diagonalisation of certain matrices and the application of this process to various situations. Such is the case, for example, in our previous SUMS volume Basic Linear Algebra. The present text is a continuation of that volume, and has the objective of introducing the reader to more advanced properties of vector spaces and linear mappings, and consequently of matrices. For readers who are not familiar with the contents of Basic Linear Algebra we provide an introductory chapter that consists of a compact summary of the prerequisites for the present volume. In order to consolidate the student's understanding we have included a large num­ ber of illustrative and worked examples, as well as many exercises that are strategi­ cally placed throughout the text. Solutions to the ex...

  13. Multiple Linear Regression

    Science.gov (United States)

    Grégoire, G.

    2014-12-01

    This chapter deals with the multiple linear regression. That is we investigate the situation where the mean of a variable depends linearly on a set of covariables. The noise is supposed to be gaussian. We develop the least squared method to get the parameter estimators and estimates of their precisions. This leads to design confidence intervals, prediction intervals, global tests, individual tests and more generally tests of submodels defined by linear constraints. Methods for model's choice and variables selection, measures of the quality of the fit, residuals study, diagnostic methods are presented. Finally identification of departures from the model's assumptions and the way to deal with these problems are addressed. A real data set is used to illustrate the methodology with software R. Note that this chapter is intended to serve as a guide for other regression methods, like logistic regression or AFT models and Cox regression.

  14. Theory of linear operations

    CERN Document Server

    Banach, S

    1987-01-01

    This classic work by the late Stefan Banach has been translated into English so as to reach a yet wider audience. It contains the basics of the algebra of operators, concentrating on the study of linear operators, which corresponds to that of the linear forms a1x1 + a2x2 + ... + anxn of algebra.The book gathers results concerning linear operators defined in general spaces of a certain kind, principally in Banach spaces, examples of which are: the space of continuous functions, that of the pth-power-summable functions, Hilbert space, etc. The general theorems are interpreted in various mathematical areas, such as group theory, differential equations, integral equations, equations with infinitely many unknowns, functions of a real variable, summation methods and orthogonal series.A new fifty-page section (``Some Aspects of the Present Theory of Banach Spaces'''') complements this important monograph.

  15. Linear programming using Matlab

    CERN Document Server

    Ploskas, Nikolaos

    2017-01-01

    This book offers a theoretical and computational presentation of a variety of linear programming algorithms and methods with an emphasis on the revised simplex method and its components. A theoretical background and mathematical formulation is included for each algorithm as well as comprehensive numerical examples and corresponding MATLAB® code. The MATLAB® implementations presented in this book  are sophisticated and allow users to find solutions to large-scale benchmark linear programs. Each algorithm is followed by a computational study on benchmark problems that analyze the computational behavior of the presented algorithms. As a solid companion to existing algorithmic-specific literature, this book will be useful to researchers, scientists, mathematical programmers, and students with a basic knowledge of linear algebra and calculus.  The clear presentation enables the reader to understand and utilize all components of simplex-type methods, such as presolve techniques, scaling techniques, pivoting ru...

  16. Dimension of linear models

    DEFF Research Database (Denmark)

    Høskuldsson, Agnar

    1996-01-01

    Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four of these cri......Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four...... the basic problems in determining the dimension of linear models. Then each of the eight measures are treated. The results are illustrated by examples....

  17. Linear mass reflectron

    International Nuclear Information System (INIS)

    Mamyrin, B.A.; Shmikk, D.V.

    1979-01-01

    A description and operating principle of a linear mass reflectron with V-form trajectory of ion motion -a new non-magnetic time-of-flight mass spectrometer with high resolution are presented. The ion-optical system of the device consists of an ion source with ionization by electron shock, of accelerating gaps, reflector gaps, a drift space and ion detector. Ions move in the linear mass refraction along the trajectories parallel to the axis of the analyzer chamber. The results of investigations into the experimental device are given. With an ion drift length of 0.6 m the device resolution is 1200 with respect to the peak width at half-height. Small-sized mass spectrometric transducers with high resolution and sensitivity may be designed on the base of the linear mass reflectron principle

  18. Digital broadband linearization of optical links.

    Science.gov (United States)

    Lam, Daniel; Fard, Ali M; Buckley, Brandon; Jalali, Bahram

    2013-02-15

    We present a digital postprocessing linearization technique to efficiently suppress dynamic distortions added to a wideband signal in an analog optical link. Our technique achieves up to 35 dB suppression of intermodulation distortions over multiple octaves of signal bandwidth. In contrast to conventional linearization methods, it does not require excessive analog bandwidth for performing digital correction. This is made possible by regenerating undesired distortions from the captured output, and subtracting it from the distorted digitized signal. Moreover, we experimentally demonstrate a record spurious-free dynamic range of 120 dB·Hz(2/3) over a 6 GHz electrical signal bandwidth. While our digital broadband linearization technique advances state-of-the-art optical links, it can also be applied to other nonlinear dynamic systems.

  19. Hydropower Bidding Using Linearized Start-Ups

    Directory of Open Access Journals (Sweden)

    Ellen Krohn Aasgård

    2017-11-01

    Full Text Available Hydropower producers must submit bids to electricity market auctions where they state their willingness to produce power. These bids may be determined using a mixed-integer linear stochastic program. However, for large interconnected river systems, this program may be too complex to be solved within the time limits set by current market rules. This paper investigates whether a linear approximation to start-ups can be used to reduce the computational burden without significantly degrading the solution quality. In order to investigate the trade-off of time versus solution quality, linear approximation is compared to a formulation that uses binary variables in a case study that simulates the operation of a reservoir system over time.

  20. Linear transformer driver for pulse generation

    Science.gov (United States)

    Kim, Alexander A; Mazarakis, Michael G; Sinebryukhov, Vadim A; Volkov, Sergey N; Kondratiev, Sergey S; Alexeenko, Vitaly M; Bayol, Frederic; Demol, Gauthier; Stygar, William A

    2015-04-07

    A linear transformer driver includes at least one ferrite ring positioned to accept a load. The linear transformer driver also includes a first power delivery module that includes a first charge storage devices and a first switch. The first power delivery module sends a first energy in the form of a first pulse to the load. The linear transformer driver also includes a second power delivery module including a second charge storage device and a second switch. The second power delivery module sends a second energy in the form of a second pulse to the load. The second pulse has a frequency that is approximately three times the frequency of the first pulse. The at least one ferrite ring is positioned to force the first pulse and the second pulse to the load by temporarily isolating the first pulse and the second pulse from an electrical ground.

  1. Electric machine

    Science.gov (United States)

    El-Refaie, Ayman Mohamed Fawzi [Niskayuna, NY; Reddy, Patel Bhageerath [Madison, WI

    2012-07-17

    An interior permanent magnet electric machine is disclosed. The interior permanent magnet electric machine comprises a rotor comprising a plurality of radially placed magnets each having a proximal end and a distal end, wherein each magnet comprises a plurality of magnetic segments and at least one magnetic segment towards the distal end comprises a high resistivity magnetic material.

  2. Electricity derivatives

    OpenAIRE

    Barone-Adesi, Giovanni; Gigli, Andrea

    2006-01-01

    In this paper we propose an algorithm for pricing derivatives written on electricity in an incomplete market setting. A discrete time model for price dynamics which embodies the main features of electricity price revealed by simple time series analysis is considered. We use jointly Binomial and Monte Carlo methods for pricing under a risk-neutral measure of which we prove the existence.

  3. Linearly Adjustable International Portfolios

    International Nuclear Information System (INIS)

    Fonseca, R. J.; Kuhn, D.; Rustem, B.

    2010-01-01

    We present an approach to multi-stage international portfolio optimization based on the imposition of a linear structure on the recourse decisions. Multiperiod decision problems are traditionally formulated as stochastic programs. Scenario tree based solutions however can become intractable as the number of stages increases. By restricting the space of decision policies to linear rules, we obtain a conservative tractable approximation to the original problem. Local asset prices and foreign exchange rates are modelled separately, which allows for a direct measure of their impact on the final portfolio value.

  4. Linearly Adjustable International Portfolios

    Science.gov (United States)

    Fonseca, R. J.; Kuhn, D.; Rustem, B.

    2010-09-01

    We present an approach to multi-stage international portfolio optimization based on the imposition of a linear structure on the recourse decisions. Multiperiod decision problems are traditionally formulated as stochastic programs. Scenario tree based solutions however can become intractable as the number of stages increases. By restricting the space of decision policies to linear rules, we obtain a conservative tractable approximation to the original problem. Local asset prices and foreign exchange rates are modelled separately, which allows for a direct measure of their impact on the final portfolio value.

  5. Linear induction motor

    International Nuclear Information System (INIS)

    Barkman, W.E.; Adams, W.Q.; Berrier, B.R.

    1978-01-01

    A linear induction motor has been operated on a test bed with a feedback pulse resolution of 5 nm (0.2 μin). Slewing tests with this slide drive have shown positioning errors less than or equal to 33 nm (1.3 μin) at feedrates between 0 and 25.4 mm/min (0-1 ipm). A 0.86-m (34-in)-stroke linear motor is being investigated, using the SPACO machine as a test bed. Initial results were encouraging, and work is continuing to optimize the servosystem compensation

  6. Handbook of linear algebra

    CERN Document Server

    Hogben, Leslie

    2013-01-01

    With a substantial amount of new material, the Handbook of Linear Algebra, Second Edition provides comprehensive coverage of linear algebra concepts, applications, and computational software packages in an easy-to-use format. It guides you from the very elementary aspects of the subject to the frontiers of current research. Along with revisions and updates throughout, the second edition of this bestseller includes 20 new chapters.New to the Second EditionSeparate chapters on Schur complements, additional types of canonical forms, tensors, matrix polynomials, matrix equations, special types of

  7. Non linear viscoelastic models

    DEFF Research Database (Denmark)

    Agerkvist, Finn T.

    2011-01-01

    Viscoelastic eects are often present in loudspeaker suspensions, this can be seen in the displacement transfer function which often shows a frequency dependent value below the resonance frequency. In this paper nonlinear versions of the standard linear solid model (SLS) are investigated. The simu......Viscoelastic eects are often present in loudspeaker suspensions, this can be seen in the displacement transfer function which often shows a frequency dependent value below the resonance frequency. In this paper nonlinear versions of the standard linear solid model (SLS) are investigated...

  8. Modelos lineares gerais

    OpenAIRE

    Silva, João Manuel Andrade e

    1995-01-01

    Neste testo procede-se a uma apresentação muito sumária dos modelos lineares generalizados. Começa-se assim por definir esta família de modelos, apresentando-se então o processo de estimação dos seus parâmetros bem como o conceito de desvio (“deviance”). Finalmente exemplifica-se as potencialidades destes modelos com base num exemplo prático, procurando-se simultaneamente ilustrar o funcionamento do programa GLIM, especialmente concebido para lidar com modelos lineares generalizados....

  9. Linear Algebra Thoroughly Explained

    CERN Document Server

    Vujičić, Milan

    2008-01-01

    Linear Algebra Thoroughly Explained provides a comprehensive introduction to the subject suitable for adoption as a self-contained text for courses at undergraduate and postgraduate level. The clear and comprehensive presentation of the basic theory is illustrated throughout with an abundance of worked examples. The book is written for teachers and students of linear algebra at all levels and across mathematics and the applied sciences, particularly physics and engineering. It will also be an invaluable addition to research libraries as a comprehensive resource book for the subject.

  10. The study, design and simulation of a free piston Stirling engine linear alternatorThe study, design and simulation of a free piston Stirling engine linear alternator

    Directory of Open Access Journals (Sweden)

    Teodora Susana Oros

    2014-12-01

    Full Text Available This paper presents a study, design and simulation of a Free Piston Stirling Engine Linear Alternator. There are presented the main steps of the magnetic and electric calculations for a permanent magnet linear alternator of fixed coil and moving magnets type. Finally, a detailed thermal, mechanical and electrical model for a Stirling engine linear alternator have been made in SIMULINK simulation program. The linear alternator simulation model uses a controllable DC voltage which simulates the linear alternator combined with a rectifier, a variable load and a DC-DC converter, which compensates for the variable nature of Stirling engine operation, and ensures a constant voltage output regardless of the load.

  11. Linear Classification Functions.

    Science.gov (United States)

    Huberty, Carl J.; Smith, Jerry D.

    Linear classification functions (LCFs) arise in a predictive discriminant analysis for the purpose of classifying experimental units into criterion groups. The relative contribution of the response variables to classification accuracy may be based on LCF-variable correlations for each group. It is proved that, if the raw response measures are…

  12. Linear Projective Program Syntax

    NARCIS (Netherlands)

    Bergstra, J.A.; Bethke, I.

    2004-01-01

    Based on an extremely simple program notation more advanced program features can be developed in linear projective program syntax such as conditional statements, while loops, recursion, use of an evaluation stack, object classes, method calls etc. Taking care of a cumulative and bottom up

  13. Resistors Improve Ramp Linearity

    Science.gov (United States)

    Kleinberg, L. L.

    1982-01-01

    Simple modification to bootstrap ramp generator gives more linear output over longer sweep times. New circuit adds just two resistors, one of which is adjustable. Modification cancels nonlinearities due to variations in load on charging capacitor and due to changes in charging current as the voltage across capacitor increases.

  14. On Solving Linear Recurrences

    Science.gov (United States)

    Dobbs, David E.

    2013-01-01

    A direct method is given for solving first-order linear recurrences with constant coefficients. The limiting value of that solution is studied as "n to infinity." This classroom note could serve as enrichment material for the typical introductory course on discrete mathematics that follows a calculus course.

  15. Stanford's linear collider

    International Nuclear Information System (INIS)

    Southworth, B.

    1985-01-01

    The peak of the construction phase of the Stanford Linear Collider, SLC, to achieve 50 GeV electron-positron collisions has now been passed. The work remains on schedule to attempt colliding beams, initially at comparatively low luminosity, early in 1987. (orig./HSI).

  16. LINEAR COLLIDERS: 1992 workshop

    International Nuclear Information System (INIS)

    Settles, Ron; Coignet, Guy

    1992-01-01

    As work on designs for future electron-positron linear colliders pushes ahead at major Laboratories throughout the world in a major international collaboration framework, the LC92 workshop held in Garmisch Partenkirchen this summer, attended by 200 machine and particle physicists, provided a timely focus

  17. About Some Linear Operators

    Directory of Open Access Journals (Sweden)

    Ovidiu T. Pop

    2007-01-01

    Full Text Available Using the method of Jakimovski and Leviatan from their work in 1969, we construct a general class of linear positive operators. We study the convergence, the evaluation for the rate of convergence in terms of the first modulus of smoothness and we give a Voronovskaja-type theorem for these operators.

  18. Linear genetic programming

    CERN Document Server

    Brameier, Markus

    2007-01-01

    Presents a variant of Genetic Programming that evolves imperative computer programs as linear sequences of instructions, in contrast to the more traditional functional expressions or syntax trees. This book serves as a reference for researchers, but also contains sufficient introduction for students and those who are new to the field

  19. Electric fields and electrical insulation

    DEFF Research Database (Denmark)

    McAllister, Iain Wilson

    2002-01-01

    The adoption of a field-theoretical approach to problems arising in the framework of electrical insulation is discussed with reference to six main topics, which have been addressed over the last 30 years. These include uniform field electrodes, Green's differential equation, electrode surface......, it is amply demonstrated that such an approach can lead to significant progress in many areas of electrical insulation....

  20. Finite-dimensional linear algebra

    CERN Document Server

    Gockenbach, Mark S

    2010-01-01

    Some Problems Posed on Vector SpacesLinear equationsBest approximationDiagonalizationSummaryFields and Vector SpacesFields Vector spaces Subspaces Linear combinations and spanning sets Linear independence Basis and dimension Properties of bases Polynomial interpolation and the Lagrange basis Continuous piecewise polynomial functionsLinear OperatorsLinear operatorsMore properties of linear operatorsIsomorphic vector spaces Linear operator equations Existence and uniqueness of solutions The fundamental theorem; inverse operatorsGaussian elimination Newton's method Linear ordinary differential eq

  1. Vibrational circular dichroism as a probe of fibrillogenesis: the origin of the anomalous intensity enhancement of amyloid-like fibrils.

    Science.gov (United States)

    Measey, Thomas J; Schweitzer-Stenner, Reinhard

    2011-02-02

    Amyloid fibrils are affiliated with various human pathologies. Knowledge of their molecular architecture is necessary for a detailed understanding of the mechanism of fibril formation. Vibrational circular dichroism (VCD) spectroscopy has recently shown sensitivity to amyloid fibrils [Ma et al. J. Am. Chem. Soc. 2007, 129, 12364 and Measey et al. J. Am. Chem. Soc. 2009, 131, 18218]. In particular, amyloid fibrils give rise to an intensity enhanced signal in the amide I band region of the corresponding VCD spectrum, offering promise of utilizing such a method for probing fibrillogenesis and the chiral structure of fibrils. Herein, we further investigate this phenomenon and demonstrate the use of VCD to probe the fibril formation kinetics of a short alanine-rich peptide. To elucidate the origin of the anomalous VCD intensity enhancement, we use an excitonic coupling model to simulate the VCD spectrum of stacked β-sheets containing one (Ising-like model) and two amide I oscillators per strand, as models for the underlying amyloid-fibril secondary structure. With this simple model, we show that the VCD intensity enhancement of amyloid-like fibrils results from intrasheet and, to a more limited extent, also from intersheet vibrational coupling between stacked β-sheets. The enhancement requires helically twisted sheets and is most pronounced for arrangements with parallel-oriented strands. Both the intersheet distance and the orientation of the amide I transition dipole moments of neighboring sheets are found to modulate the intensity enhancement of the amide I VCD signal. Moreover, our simulations suggest that, depending on the three-dimensional arrangement of the β-strands, the sign of the VCD signal of amyloid-like fibrils can be used to distinguish between right- and left-handed helical twists of parallel-oriented β-sheets. We compare the results of our simulation to experimental spectra of two short peptides, GNNQQNY, the N-terminal peptide fragment of the yeast

  2. Electrical injury

    Science.gov (United States)

    ... RS, Gausche-Hill M, eds. Rosen's Emergency Medicine: Concepts and Clinical Practice. 9th ed. Philadelphia, PA: Elsevier; 2018:chap 134. Price LA, Loiacono LA. Electrical and lightning injury. In: Cameron JL, Cameron AM, eds. Current Surgical ...

  3. Electric empire

    International Nuclear Information System (INIS)

    McKay, Paul

    1983-01-01

    The author discusses the economic and political aspects of Ontario Hydro, a provincial crown corporation. He also deals with nuclear safety of the CANDU reactors and the ecological effects of electric power supply. Alternate sources of energy are also mentioned

  4. Electrical Conductivity.

    Science.gov (United States)

    Hershey, David R.; Sand, Susan

    1993-01-01

    Explains how electrical conductivity (EC) can be used to measure ion concentration in solutions. Describes instrumentation for the measurement, temperature dependence and EC, and the EC of common substances. (PR)

  5. Electricity Storage

    Science.gov (United States)

    Details technologies that can be used to store electricity so it can be used at times when demand exceeds generation, which helps utilities operate more effectively, reduce brownouts, and allow for more renewable energy resources to be built and used.

  6. Electricity derivatives

    CERN Document Server

    Aïd, René

    2015-01-01

    Offering a concise but complete survey of the common features of the microstructure of electricity markets, this book describes the state of the art in the different proposed electricity price models for pricing derivatives and in the numerical methods used to price and hedge the most prominent derivatives in electricity markets, namely power plants and swings. The mathematical content of the book has intentionally been made light in order to concentrate on the main subject matter, avoiding fastidious computations. Wherever possible, the models are illustrated by diagrams. The book should allow prospective researchers in the field of electricity derivatives to focus on the actual difficulties associated with the subject. It should also offer a brief but exhaustive overview of the latest techniques used by financial engineers in energy utilities and energy trading desks.

  7. The SLAC linear collider

    International Nuclear Information System (INIS)

    Phinney, N.

    1992-01-01

    The SLAC Linear Collider has begun a new era of operation with the SLD detector. During 1991 there was a first engineering run for the SLD in parallel with machine improvements to increase luminosity and reliability. For the 1992 run, a polarized electron source was added and more than 10,000 Zs with an average of 23% polarization have been logged by the SLD. This paper discusses the performance of the SLC in 1991 and 1992 and the technical advances that have produced higher luminosity. Emphasis will be placed on issues relevant to future linear colliders such as producing and maintaining high current, low emittance beams and focusing the beams to the micron scale for collisions. (Author) tab., 2 figs., 18 refs

  8. Robust linear dimensionality reduction.

    Science.gov (United States)

    Koren, Yehuda; Carmel, Liran

    2004-01-01

    We present a novel family of data-driven linear transformations, aimed at finding low-dimensional embeddings of multivariate data, in a way that optimally preserves the structure of the data. The well-studied PCA and Fisher's LDA are shown to be special members in this family of transformations, and we demonstrate how to generalize these two methods such as to enhance their performance. Furthermore, our technique is the only one, to the best of our knowledge, that reflects in the resulting embedding both the data coordinates and pairwise relationships between the data elements. Even more so, when information on the clustering (labeling) decomposition of the data is known, this information can also be integrated in the linear transformation, resulting in embeddings that clearly show the separation between the clusters, as well as their internal structure. All of this makes our technique very flexible and powerful, and lets us cope with kinds of data that other techniques fail to describe properly.

  9. Linear MHD equilibria

    International Nuclear Information System (INIS)

    Scheffel, J.

    1984-03-01

    The linear Grad-Shafranov equation for a toroidal, axisymmetric plasma is solved analytically. Exact solutions are given in terms of confluent hyper-geometric functions. As an alternative, simple and accurate WKBJ solutions are presented. With parabolic pressure profiles, both hollow and peaked toroidal current density profiles are obtained. As an example the equilibrium of a z-pinch with a square-shaped cross section is derived.(author)

  10. Miniature linear cooler development

    International Nuclear Information System (INIS)

    Pruitt, G.R.

    1993-01-01

    An overview is presented of the status of a family of miniature linear coolers currently under development by Hughes Aircraft Co. for use in hand held, volume limited or power limited infrared applications. These coolers, representing the latest additions to the Hughes family of TOP trademark [twin-opposed piston] linear coolers, have been fabricated and tested in three different configurations. Each configuration is designed to utilize a common compressor assembly resulting in reduced manufacturing costs. The baseline compressor has been integrated with two different expander configurations and has been operated with two different levels of input power. These various configuration combinations offer a wide range of performance and interface characteristics which may be tailored to applications requiring limited power and size without significantly compromising cooler capacity or cooldown characteristics. Key cooler characteristics and test data are summarized for three combinations of cooler configurations which are representative of the versatility of this linear cooler design. Configurations reviewed include the shortened coldfinger [1.50 to 1.75 inches long], limited input power [less than 17 Watts] for low power availability applications; the shortened coldfinger with higher input power for lightweight, higher performance applications; and coldfingers compatible with DoD 0.4 Watt Common Module coolers for wider range retrofit capability. Typical weight of these miniature linear coolers is less than 500 grams for the compressor, expander and interconnecting transfer line. Cooling capacity at 80K at room ambient conditions ranges from 400 mW to greater than 550 mW. Steady state power requirements for maintaining a heat load of 150 mW at 80K has been shown to be less than 8 Watts. Ongoing reliability growth testing is summarized including a review of the latest test article results

  11. Relativistic Linear Restoring Force

    Science.gov (United States)

    Clark, D.; Franklin, J.; Mann, N.

    2012-01-01

    We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…

  12. Fundamentals of linear algebra

    CERN Document Server

    Dash, Rajani Ballav

    2008-01-01

    FUNDAMENTALS OF LINEAR ALGEBRA is a comprehensive Text Book, which can be used by students and teachers of All Indian Universities. The Text has easy, understandable form and covers all topics of UGC Curriculum. There are lots of worked out examples which helps the students in solving the problems without anybody's help. The Problem sets have been designed keeping in view of the questions asked in different examinations.

  13. Non-linear osmosis

    Science.gov (United States)

    Diamond, Jared M.

    1966-01-01

    1. The relation between osmotic gradient and rate of osmotic water flow has been measured in rabbit gall-bladder by a gravimetric procedure and by a rapid method based on streaming potentials. Streaming potentials were directly proportional to gravimetrically measured water fluxes. 2. As in many other tissues, water flow was found to vary with gradient in a markedly non-linear fashion. There was no consistent relation between the water permeability and either the direction or the rate of water flow. 3. Water flow in response to a given gradient decreased at higher osmolarities. The resistance to water flow increased linearly with osmolarity over the range 186-825 m-osM. 4. The resistance to water flow was the same when the gall-bladder separated any two bathing solutions with the same average osmolarity, regardless of the magnitude of the gradient. In other words, the rate of water flow is given by the expression (Om — Os)/[Ro′ + ½k′ (Om + Os)], where Ro′ and k′ are constants and Om and Os are the bathing solution osmolarities. 5. Of the theories advanced to explain non-linear osmosis in other tissues, flow-induced membrane deformations, unstirred layers, asymmetrical series-membrane effects, and non-osmotic effects of solutes could not explain the results. However, experimental measurements of water permeability as a function of osmolarity permitted quantitative reconstruction of the observed water flow—osmotic gradient curves. Hence non-linear osmosis in rabbit gall-bladder is due to a decrease in water permeability with increasing osmolarity. 6. The results suggest that aqueous channels in the cell membrane behave as osmometers, shrinking in concentrated solutions of impermeant molecules and thereby increasing membrane resistance to water flow. A mathematical formulation of such a membrane structure is offered. PMID:5945254

  14. The Stanford Linear Collider

    International Nuclear Information System (INIS)

    Emma, P.

    1995-01-01

    The Stanford Linear Collider (SLC) is the first and only high-energy e + e - linear collider in the world. Its most remarkable features are high intensity, submicron sized, polarized (e - ) beams at a single interaction point. The main challenges posed by these unique characteristics include machine-wide emittance preservation, consistent high intensity operation, polarized electron production and transport, and the achievement of a high degree of beam stability on all time scales. In addition to serving as an important machine for the study of Z 0 boson production and decay using polarized beams, the SLC is also an indispensable source of hands-on experience for future linear colliders. Each new year of operation has been highlighted with a marked improvement in performance. The most significant improvements for the 1994-95 run include new low impedance vacuum chambers for the damping rings, an upgrade to the optics and diagnostics of the final focus systems, and a higher degree of polarization from the electron source. As a result, the average luminosity has nearly doubled over the previous year with peaks approaching 10 30 cm -2 s -1 and an 80% electron polarization at the interaction point. These developments as well as the remaining identifiable performance limitations will be discussed

  15. Parametric Linear Dynamic Logic

    Directory of Open Access Journals (Sweden)

    Peter Faymonville

    2014-08-01

    Full Text Available We introduce Parametric Linear Dynamic Logic (PLDL, which extends Linear Dynamic Logic (LDL by temporal operators equipped with parameters that bound their scope. LDL was proposed as an extension of Linear Temporal Logic (LTL that is able to express all ω-regular specifications while still maintaining many of LTL's desirable properties like an intuitive syntax and a translation into non-deterministic Büchi automata of exponential size. But LDL lacks capabilities to express timing constraints. By adding parameterized operators to LDL, we obtain a logic that is able to express all ω-regular properties and that subsumes parameterized extensions of LTL like Parametric LTL and PROMPT-LTL. Our main technical contribution is a translation of PLDL formulas into non-deterministic Büchi word automata of exponential size via alternating automata. This yields a PSPACE model checking algorithm and a realizability algorithm with doubly-exponential running time. Furthermore, we give tight upper and lower bounds on optimal parameter values for both problems. These results show that PLDL model checking and realizability are not harder than LTL model checking and realizability.

  16. ELEVATED TEMPERATURE EFFECTS ON THE ELECTRICAL ...

    African Journals Online (AJOL)

    The effects of elevated temperatures on the electrical properties of Bi metal probe to Si thin films had been investigated for electric field values 10-100V/m. Measurements of current (I) – voltage (V) characteristics were obtained at temperatures 300,320,340,360,380 and 400K respectively. The results indicated linear I–V ...

  17. Two-photon absorption and two-photon circular dichroism of L-tryptophan in the near to far UV region

    Science.gov (United States)

    Vesga, Yuly; Hernandez, Florencio E.

    2017-09-01

    Herein we report on the first measurements of the two-photon absorption (TPA) spectrum of L-tryptophan in DMSO solution in the near to far UV region and the two-photon circular dichroism (TPCD) signal corresponding to a transition at 200 nm. We demonstrate the application of the Double L-scan technique in the near to far UV region to perform polarization dependent TPA measurements of chiral molecules. TPCD measurements below 400 nm reveal that chiral molecules in solution, such as tryptophan/DMSO, can undergo photochemical reactions in front of prolonged exposure to UV radiation.

  18. Magnetic anisotropy in Ta/CoFeB/MgO investigated by x-ray magnetic circular dichroism and first-principles calculation

    Science.gov (United States)

    Kanai, Shun; Tsujikawa, Masahito; Miura, Yoshio; Shirai, Masafumi; Matsukura, Fumihiro; Ohno, Hideo

    2014-12-01

    We study the spin and orbital magnetic moments in Ta/Co0.4Fe0.4B0.2/MgO by x-ray magnetic circular dichroism measurements as well as first-principles calculations, in order to clarify the origin of the perpendicular magnetic anisotropy. Both experimental and theoretical results show that orbital magnetic moment of Fe is more anisotropic than that of Co with respect to the magnetization direction. The anisotropy is larger for thinner CoFeB, indicating that Fe atoms at the interface with MgO contribute more than Co to the observed perpendicular magnetic anisotropy.

  19. Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

    DEFF Research Database (Denmark)

    Frimand, Kenneth; Bohr, Henrik; Jalkanen, Karl J.

    2000-01-01

    A detailed comparative study of structures, vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra has been carried out for the zwitterionic structure of the amino acid L-alanine. Theoretically determined structures necessary for deriving VA and VCD spectra were calculated...... at the density functional theory level using the B3LYP functional with the 6-31G* basis set. The Hessians and atomic polar tensors and atomic axial tensors were all calculated at the B3LYP/6-31G* level of theory. An important result is the method of treating solvent effects by both adding explicit water...

  20. Impact of energy-related pollutants on chromosome structure. Progress report, January 1-December 31, 1980. IQUID COLUMN CHROMATOGRAPHY; ABSORPTION SPECTRA; COMPUTER CODES; DICHROISM; EQUIPMENT INTERFACES; MICROPROCESSORS; SPECTROPHOTOMETERS; ; CARBON 13; COMPLEXES; NUCLEAR MAGNETIC RESONANCE

    Energy Technology Data Exchange (ETDEWEB)

    1980-01-01

    Methods for rapidly analyzing methylated and ethylated nucleosides and bases by high pressure liquid chromatography were investigated. Deoxyribonucleotides were alkylated with alkyl iodides and dialkyl sulfates. Several unreported products of the reactions of methyl and ethyl iodide in dimethylsulfoxide were found and are being characterized. The Cary 219 UV-Vis spectrophotometer was interfaced to a microcomputer and several utility programs were written. Preliminary absorption and circular dichroism studies of the binding of ethidium to DNA and nucleosome cores showed binding to cores to be quite different from binding to DNA. Free radical and additional reactions of bisulfite with DNA in chromatin were examined. Free radical attack was minimal. Some conversion of cytosine to uracil was noted, but protein crosslinking to DNA was not detected. The first valid natural abundance /sup 13/C nmr spectra of double-stranded DNA and double-stranded DNA complexed with ethidium were obtained. These spectra suggested that DNA undergoes considerable internal motion. The data show that 13-C nmr studies of the conformational and motional properties of native DNA and of complexes of native DNA with small molecules are practical and promising. Studies of subnucleosomes derived from nucleosomes were completed. Based on these studies, a model of the linear arrangement of histone C-terminal and N-terminal chain regions along nucleosome DNA was proposed. The use of staphylococcal protease to probe histone conformations in nucleosomes was explored. Preliminary data indicate that H3 is much more susceptible to protease than other core histones, and is cleaved in its hydrophobic domain. A procedure for fractionating chromatin was alos developed. (ERB)

  1. Visual Electricity Demonstrator

    Science.gov (United States)

    Lincoln, James

    2017-09-01

    The Visual Electricity Demonstrator (VED) is a linear diode array that serves as a dynamic alternative to an ammeter. A string of 48 red light-emitting diodes (LEDs) blink one after another to create the illusion of a moving current. Having the current represented visually builds an intuitive and qualitative understanding about what is happening in a circuit. In this article, I describe several activities for this device and explain how using this technology in the classroom can enhance the understanding and appreciation of physics.

  2. Computer Power. Part 2: Electrical Power Problems and Their Amelioration.

    Science.gov (United States)

    Price, Bennett J.

    1989-01-01

    Describes electrical power problems that affect computer users, including spikes, sags, outages, noise, frequency variations, and static electricity. Ways in which these problems may be diagnosed and cured are discussed. Sidebars consider transformers; power distribution units; surge currents/linear and non-linear loads; and sizing the power…

  3. Matlab linear algebra

    CERN Document Server

    Lopez, Cesar

    2014-01-01

    MATLAB is a high-level language and environment for numerical computation, visualization, and programming. Using MATLAB, you can analyze data, develop algorithms, and create models and applications. The language, tools, and built-in math functions enable you to explore multiple approaches and reach a solution faster than with spreadsheets or traditional programming languages, such as C/C++ or Java. MATLAB Linear Algebra introduces you to the MATLAB language with practical hands-on instructions and results, allowing you to quickly achieve your goals. In addition to giving an introduction to

  4. RF linear accelerators

    CERN Document Server

    Wangler, Thomas P

    2008-01-01

    Thomas P. Wangler received his B.S. degree in physics from Michigan State University, and his Ph.D. degree in physics and astronomy from the University of Wisconsin. After postdoctoral appointments at the University of Wisconsin and Brookhaven National Laboratory, he joined the staff of Argonne National Laboratory in 1966, working in the fields of experimental high-energy physics and accelerator physics. He joined the Accelerator Technology Division at Los Alamos National Laboratory in 1979, where he specialized in high-current beam physics and linear accelerator design and technology. In 2007

  5. Linear interpolation of histograms

    CERN Document Server

    Read, A L

    1999-01-01

    A prescription is defined for the interpolation of probability distributions that are assumed to have a linear dependence on a parameter of the distributions. The distributions may be in the form of continuous functions or histograms. The prescription is based on the weighted mean of the inverses of the cumulative distributions between which the interpolation is made. The result is particularly elegant for a certain class of distributions, including the normal and exponential distributions, and is useful for the interpolation of Monte Carlo simulation results which are time-consuming to obtain.

  6. Quasi-Linear Circuit

    Science.gov (United States)

    Bradley, William; Bird, Ross; Eldred, Dennis; Zook, Jon; Knowles, Gareth

    2013-01-01

    This work involved developing spacequalifiable switch mode DC/DC power supplies that improve performance with fewer components, and result in elimination of digital components and reduction in magnetics. This design is for missions where systems may be operating under extreme conditions, especially at elevated temperature levels from 200 to 300 degC. Prior art for radiation-tolerant DC/DC converters has been accomplished utilizing classical magnetic-based switch mode converter topologies; however, this requires specific shielding and component de-rating to meet the high-reliability specifications. It requires complex measurement and feedback components, and will not enable automatic re-optimization for larger changes in voltage supply or electrical loading condition. The innovation is a switch mode DC/DC power supply that eliminates the need for processors and most magnetics. It can provide a well-regulated voltage supply with a gain of 1:100 step-up to 8:1 step down, tolerating an up to 30% fluctuation of the voltage supply parameters. The circuit incorporates a ceramic core transformer in a manner that enables it to provide a well-regulated voltage output without use of any processor components or magnetic transformers. The circuit adjusts its internal parameters to re-optimize its performance for changes in supply voltage, environmental conditions, or electrical loading at the output

  7. Ephemeral Electric Potential and Electric Field Sensor

    Science.gov (United States)

    Generazio, Edward R. (Inventor)

    2017-01-01

    Systems, methods, and devices of the various embodiments provide for the minimization of the effects of intrinsic and extrinsic leakage electrical currents enabling true measurements of electric potentials and electric fields. In an embodiment, an ephemeral electric potential and electric field sensor system may have at least one electric field sensor and a rotator coupled to the electric field sensor and be configured to rotate the electric field sensor at a quasi-static frequency. In an embodiment, ephemeral electric potential and electric field measurements may be taken by rotating at least one electric field sensor at a quasi-static frequency, receiving electrical potential measurements from the electric field sensor when the electric field sensor is rotating at the quasi-static frequency, and generating and outputting images based at least in part on the received electrical potential measurements.

  8. Electrically powered hand tool

    Science.gov (United States)

    Myers, Kurt S.; Reed, Teddy R.

    2007-01-16

    An electrically powered hand tool is described and which includes a three phase electrical motor having a plurality of poles; an electrical motor drive electrically coupled with the three phase electrical motor; and a source of electrical power which is converted to greater than about 208 volts three-phase and which is electrically coupled with the electrical motor drive.

  9. Effects of dynamic diffraction conditions on magnetic parameter determination in a double perovskite Sr2FeMoO6 using electron energy-loss magnetic chiral dichroism.

    Science.gov (United States)

    Wang, Z C; Zhong, X Y; Jin, L; Chen, X F; Moritomo, Y; Mayer, J

    2017-05-01

    Electron energy-loss magnetic chiral dichroism (EMCD) spectroscopy, which is similar to the well-established X-ray magnetic circular dichroism spectroscopy (XMCD), can determine the quantitative magnetic parameters of materials with high spatial resolution. One of the major obstacles in quantitative analysis using the EMCD technique is the relatively poor signal-to-noise ratio (SNR), compared to XMCD. Here, in the example of a double perovskite Sr 2 FeMoO 6 , we predicted the optimal dynamical diffraction conditions such as sample thickness, crystallographic orientation and detection aperture position by theoretical simulations. By using the optimized conditions, we showed that the SNR of experimental EMCD spectra can be significantly improved and the error of quantitative magnetic parameter determined by EMCD technique can be remarkably lowered. Our results demonstrate that, with enhanced SNR, the EMCD technique can be a unique tool to understand the structure-property relationship of magnetic materials particularly in the high-density magnetic recording and spintronic devices by quantitatively determining magnetic structure and properties at the nanometer scale. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

    Directory of Open Access Journals (Sweden)

    Marco Marazzi

    2018-04-01

    Full Text Available Bio-macromolecules as DNA, lipid membranes and (polypeptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes—often drugs or pollutants—that can (photosensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photosensitizers. Namely, absorption, emission and electronic circular dichroism (CD spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i to enhance absorption in the red and infra-red windows and (ii to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/molecular mechanics (QM/MM methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

  11. Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules.

    Science.gov (United States)

    Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier

    2018-01-01

    Bio-macromolecules as DNA, lipid membranes and (poly)peptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes-often drugs or pollutants-that can (photo)sensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photo)sensitizers. Namely, absorption, emission and electronic circular dichroism (CD) spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i) to enhance absorption in the red and infra-red windows and (ii) to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/molecular mechanics (QM/MM) methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

  12. Electricity pricing

    International Nuclear Information System (INIS)

    Wijayatunga, P.D.C.

    1994-01-01

    Electricity pricing in most countries, especially in the developing world, has been determined by traditional accounting criteria where it raises revenue requirements to cover the operating costs and a return on past and future capital investments in possible power systems. The use of economic principles to improve the total economic efficiency in the electricity industry is discussed. Basic marginal cost theory, long run marginal costing (LRMC) cost categories and rating periods, marginal capacity costs, marginal energy costs, consumer costs, short run marginal costing (SRMC), marginal cost of fuel, marginal cost of network losses, market clearing price, value of unserved energy and network quality of supply cost are discussed

  13. An efficient linear power generator - Linear motor for oscillating piston machines; Effizienter Lineargenerator / Linearmotor fuer Kolbenmaschine - Schlussbericht

    Energy Technology Data Exchange (ETDEWEB)

    Lindegger, M.

    2008-07-01

    When an oscillating piston interacts with an electrical generator or motor, it is obvious that the electrical machine should also have linear motion, eliminating the disadvantage of a crankshaft. This work has two parts: construction of an efficient linear generator for a Stirling engine with a free piston and a theoretical study of the efficiency of linear motors for driving compressors. The Stirling engine and the linear generator have a continuous power of 1.3 kW{sub el}. With thermal peak power the planned 1.5 kW{sub el} are attained. The Project 'Stirling Free Piston Generator' for cogeneration will continue. Smaller linear motors with permanent magnets function without electronic control from single-phase AC net. The theoretical study shows how linear motors can be led out by linking the electric vector diagram with the pressure-volume diagram of the compressor. At a power level exceeding a few kW, a three-phase system with power electronics is more suitable. The frequency of oscillation is variable and lower than 50 Hz. The efficiency of the simulated linear motors lies in the range of efficiency class EFF1 of standard motors. The very high efficiencies of rotating motors with permanent magnets are not attained. The combination of the linear motor with an optimised thermal process leads to advantages regarding the efficiency. If a heat pump with linear drive system can operate with hot lubricating oil the losses in the heat exchangers are reduced. The Competence Center for Thermal Machines at Lucerne University of Applied Sciences and Arts shows great interest to pursue the project of a linear heat pump for small temperature differences. (author)

  14. The ''Alid-8'' linear accelerator for defectoscopy

    International Nuclear Information System (INIS)

    Bachu, G.; Behltsehtsyany, H.; Grechesku, M.

    1979-01-01

    A device with 8 MeV linear electron accelerator used for non-desevitructive tests is described. The de,ce contains radiation sourc modulator, thermostat, crane, power supply system and control panel. The Pierce electron gun serves an injector. Travelling wave accelerating structure operates at 2998 MHz frequency and on π/2 type wave and consists of six parts. Accelerating electric field increases from 30 kV/cm to 70 kb/cm. The crane moves the radiation source in a horizontal plane in two mutually perpendicular directions. Dimensions of radiographic field ( per 1m) equal 40x40 cm, focusing spot diameter is 2 mm [ru

  15. Microfabricated linear Paul-Straubel ion trap

    Science.gov (United States)

    Mangan, Michael A [Albuquerque, NM; Blain, Matthew G [Albuquerque, NM; Tigges, Chris P [Albuquerque, NM; Linker, Kevin L [Albuquerque, NM

    2011-04-19

    An array of microfabricated linear Paul-Straubel ion traps can be used for mass spectrometric applications. Each ion trap comprises two parallel inner RF electrodes and two parallel outer DC control electrodes symmetric about a central trap axis and suspended over an opening in a substrate. Neighboring ion traps in the array can share a common outer DC control electrode. The ions confined transversely by an RF quadrupole electric field potential well on the ion trap axis. The array can trap a wide array of ions.

  16. Linearization of the Lorenz system

    International Nuclear Information System (INIS)

    Li, Chunbiao; Sprott, Julien Clinton; Thio, Wesley

    2015-01-01

    A partial and complete piecewise linearized version of the Lorenz system is proposed. The linearized versions have an independent total amplitude control parameter. Additional further linearization leads naturally to a piecewise linear version of the diffusionless Lorenz system. A chaotic circuit with a single amplitude controller is then implemented using a new switch element, producing a chaotic oscillation that agrees with the numerical calculation for the piecewise linear diffusionless Lorenz system. - Highlights: • A partial and complete piecewise linearized version of the Lorenz system are addressed. • The linearized versions have an independent total amplitude control parameter. • A piecewise linear version of the diffusionless Lorenz system is derived by further linearization. • A corresponding chaotic circuit without any multiplier is implemented for the chaotic oscillation

  17. On the linear programming bound for linear Lee codes.

    Science.gov (United States)

    Astola, Helena; Tabus, Ioan

    2016-01-01

    Based on an invariance-type property of the Lee-compositions of a linear Lee code, additional equality constraints can be introduced to the linear programming problem of linear Lee codes. In this paper, we formulate this property in terms of an action of the multiplicative group of the field [Formula: see text] on the set of Lee-compositions. We show some useful properties of certain sums of Lee-numbers, which are the eigenvalues of the Lee association scheme, appearing in the linear programming problem of linear Lee codes. Using the additional equality constraints, we formulate the linear programming problem of linear Lee codes in a very compact form, leading to a fast execution, which allows to efficiently compute the bounds for large parameter values of the linear codes.

  18. Non-Markovian Quantum State Diffusion for temperature-dependent linear spectra of light harvesting aggregates.

    Science.gov (United States)

    Ritschel, Gerhard; Suess, Daniel; Möbius, Sebastian; Strunz, Walter T; Eisfeld, Alexander

    2015-01-21

    Non-Markovian Quantum State Diffusion (NMQSD) has turned out to be an efficient method to calculate excitonic properties of aggregates composed of organic chromophores, taking into account the coupling of electronic transitions to vibrational modes of the chromophores. NMQSD is an open quantum system approach that incorporates environmental degrees of freedom (the vibrations in our case) in a stochastic way. We show in this paper that for linear optical spectra (absorption, circular dichroism), no stochastics is needed, even for finite temperatures. Thus, the spectra can be obtained by propagating a single trajectory. To this end, we map a finite temperature environment to the zero temperature case using the so-called thermofield method. The resulting equations can then be solved efficiently by standard integrators.

  19. Electrical Rectification

    Indian Academy of Sciences (India)

    user

    bio-mimetic systems. O w ing to the saturation of the e± ciency of sil- icon devices in electronics industry, m olecular electronics has gained trem endous im petus in re- cent tim es. T heoretical predictions and experi- m ental realizations of such system s have given birth to a ... their electrical conductance property and pos-.

  20. Linear Accelerator Laboratory

    International Nuclear Information System (INIS)

    1976-01-01

    This report covers the activity of the Linear Accelerator Laboratory during the period June 1974-June 1976. The activity of the Laboratory is essentially centered on high energy physics. The main activities were: experiments performed with the colliding rings (ACO), construction of the new colliding rings and beginning of the work at higher energy (DCI), bubble chamber experiments with the CERN PS neutrino beam, counter experiments with CERN's PS and setting-up of equipment for new experiments with CERN's SPS. During this period a project has also been prepared for an experiment with the new PETRA colliding ring at Hamburg. On the other hand, intense collaboration with the LURE Laboratory, using the electron synchrotron radiation emitted by ACO and DCI, has been developed [fr

  1. Introduction to linear elasticity

    CERN Document Server

    Gould, Phillip L

    2013-01-01

    Introduction to Linear Elasticity, 3rd Edition, provides an applications-oriented grounding in the tensor-based theory of elasticity for students in mechanical, civil, aeronautical, and biomedical engineering, as well as materials and earth science. The book is distinct from the traditional text aimed at graduate students in solid mechanics by introducing the subject at a level appropriate for advanced undergraduate and beginning graduate students. The author's presentation allows students to apply the basic notions of stress analysis and move on to advanced work in continuum mechanics, plasticity, plate and shell theory, composite materials, viscoelasticity and finite method analysis. This book also:  Emphasizes tensor-based approach while still distilling down to explicit notation Provides introduction to theory of plates, theory of shells, wave propagation, viscoelasticity and plasticity accessible to advanced undergraduate students Appropriate for courses following emerging trend of teaching solid mechan...

  2. Electrical Rectification

    Indian Academy of Sciences (India)

    user

    (right) Swapan K Pati is an associate professor at. JNCASR, Bangalore. His research interests include quantum many-body theory, molecular electron- ics, non-linear optical phenomena, quantum magnetism, generalized charge-transfer mechanisms and hydrogen storage. He is also actively involved in developing new ...

  3. Recursive Algorithm For Linear Regression

    Science.gov (United States)

    Varanasi, S. V.

    1988-01-01

    Order of model determined easily. Linear-regression algorithhm includes recursive equations for coefficients of model of increased order. Algorithm eliminates duplicative calculations, facilitates search for minimum order of linear-regression model fitting set of data satisfactory.

  4. Computer Program For Linear Algebra

    Science.gov (United States)

    Krogh, F. T.; Hanson, R. J.

    1987-01-01

    Collection of routines provided for basic vector operations. Basic Linear Algebra Subprogram (BLAS) library is collection from FORTRAN-callable routines for employing standard techniques to perform basic operations of numerical linear algebra.

  5. Homogeneous Charge Compression Ignition Free Piston Linear Alternator

    Energy Technology Data Exchange (ETDEWEB)

    Janson Wu; Nicholas Paradiso; Peter Van Blarigan; Scott Goldsborough

    1998-11-01

    An experimental and theoretical investigation of a homogeneous charge compression ignition (HCCI) free piston powered linear alternator has been conducted to determine if improvements can be made in the thermal and conversion efficiencies of modern electrical generator systems. Performance of a free piston engine was investigated using a rapid compression expansion machine and a full cycle thermodynamic model. Linear alternator performance was investigated with a computer model. In addition linear alternator testing and permanent magnet characterization hardware were developed. The development of the two-stroke cycle scavenging process has begun.

  6. Global numerical modeling of magnetized plasma in a linear device

    DEFF Research Database (Denmark)

    Magnussen, Michael Løiten

    from first principles for a magnetized plasma in a linear device. To account for the fluctuations at the same level as the background plasma, the traditional split between background and fluctuations has not been made. The model is implemented using the BOUT++ framework and is solved numerically....... Special attention is given to the treatment of the singularity at the cylinder axis, and at the inversion of the non-linear elliptic equation, which is done to obtain the electrical potential. The evolution of the plasma through the steady-state, linear phase, and turbulent phase is investigated...

  7. Direct linear driving systems; Les entrainements lineaires directs

    Energy Technology Data Exchange (ETDEWEB)

    Favre, E.; Brunner, C.; Piaget, D. [ETEL SA (France)

    1999-11-01

    The linear motor is one of the most important developments in electrical drive technology. However, it only, began to be adopted on a large scale at the beginning of the 1990's and will not be considered a mature technology until well into the next millennium. Actuators based on linear motor technology have a number of technical advantages including high speed, high positional accuracy and fine resolution. They also require fewer component parts. Some precautions are necessary when using linear motors. Care must be taken to avoid overheating and excessive vibration, and the magnetic components must be protected.

  8. Linear Generator for a Free Piston Stirling Engine

    Directory of Open Access Journals (Sweden)

    OROS (POP Teodora Susana

    2014-05-01

    Full Text Available In this paper we present some aspects about the design of a Stirling engine driven linear generator. There are summarised the main steps of the magnetic and electric calculations with application to a particular case of a cogeneration plant bassed on Stirling engine. The designed linear generator is of fixed coil and moving magnets type. There are presented and a finite element method (FEM simulation of magnetic field. The linear generator design starts with the characteristics of the rare earth permanent magnets existing on the market.

  9. Linear Versus Non-linear Supersymmetry, in General

    CERN Document Server

    Ferrara, Sergio; Van Proeyen, Antoine; Wrase, Timm

    2016-01-01

    We study superconformal and supergravity models with constrained superfields. The underlying version of such models with all unconstrained superfields and linearly realized supersymmetry is presented here, in addition to the physical multiplets there are Lagrange multiplier (LM) superfields. Once the equations of motion for the LM superfields are solved, some of the physical superfields become constrained. The linear supersymmetry of the original models becomes non-linearly realized, its exact form can be deduced from the original linear supersymmetry. Known examples of constrained superfields are shown to require the following LM's: chiral superfields, linear superfields, general complex superfields, some of them are multiplets with a spin.

  10. A primer on linear models

    CERN Document Server

    Monahan, John F

    2008-01-01

    Preface Examples of the General Linear Model Introduction One-Sample Problem Simple Linear Regression Multiple Regression One-Way ANOVA First Discussion The Two-Way Nested Model Two-Way Crossed Model Analysis of Covariance Autoregression Discussion The Linear Least Squares Problem The Normal Equations The Geometry of Least Squares Reparameterization Gram-Schmidt Orthonormalization Estimability and Least Squares Estimators Assumptions for the Linear Mean Model Confounding, Identifiability, and Estimability Estimability and Least Squares Estimators F

  11. Instrument for x-ray absorption spectroscopy with in situ electrical control characterizations

    International Nuclear Information System (INIS)

    Huang, Chun-Chao; Chang, Shu-Jui; Yang, Chao-Yao; Tseng, Yuan-Chieh; Chou, Hsiung

    2013-01-01

    We report a synchrotron-based setup capable of performing x-ray absorption spectroscopy and x-ray magnetic circular dichroism with simultaneous electrical control characterizations. The setup can enable research concerning electrical transport, element- and orbital-selective magnetization with an in situ fashion. It is a unique approach to the real-time change of spin-polarized electronic state of a material/device exhibiting magneto-electric responses. The performance of the setup was tested by probing the spin-polarized states of cobalt and oxygen of Zn 1-x Co x O dilute magnetic semiconductor under applied voltages, both at low (∼20 K) and room temperatures, and signal variations upon the change of applied voltage were clearly detected

  12. Templates for Linear Algebra Problems

    NARCIS (Netherlands)

    Bai, Z.; Day, D.; Demmel, J.; Dongarra, J.; Gu, M.; Ruhe, A.; Vorst, H.A. van der

    1995-01-01

    The increasing availability of advanced-architecture computers is having a very signicant eect on all spheres of scientic computation, including algorithm research and software development in numerical linear algebra. Linear algebra {in particular, the solution of linear systems of equations and

  13. Linear Logic on Petri Nets

    DEFF Research Database (Denmark)

    Engberg, Uffe Henrik; Winskel, Glynn

    This article shows how individual Petri nets form models of Girard's intuitionistic linear logic. It explores questions of expressiveness and completeness of linear logic with respect to this interpretation. An aim is to use Petri nets to give an understanding of linear logic and give some apprai...

  14. Design considerations of a linear generator for a range extender application

    Directory of Open Access Journals (Sweden)

    Seo Un-Jae

    2015-12-01

    Full Text Available The free piston linear generator is a new range extender concept for the application in a full electric vehicle. The free piston engine driven linear generators can achieve high efficiency at part and full load which is suitable for the range extender application. This paper presents requirements for designing a linear generator deduced from a basic analysis of a free piston linear generator.

  15. Electricity supply

    International Nuclear Information System (INIS)

    Rezendes, V.S.

    1991-10-01

    This report focuses on the Securities and Exchange Commission's (SEC) administration of the Public Utility Holding Company Act of 1935, intended to protect the public, investors, and consumers from abuses associated with the control of electric and gas utility companies through the holding company structure. These abuses include subjecting subsidiary utilities to excessive charges for services, construction work, and materials; frustrating effective state regulation through the holding company structure; and overloading subsidiary utilities with debt to prevent voluntary rate reductions. GAO discusses industry changes during the past decade involving electric utility holding companies; SEC's regulatory response to such changes; and the relationship between SEC, the Federal Energy Regulatory Commission, and states in protecting consumer and investor interests in light of these changes

  16. Electricity Bill

    International Nuclear Information System (INIS)

    Blair, A.; Beith, A.J.; Hardy, P.

    1989-01-01

    The first part of the debate, which lasted a total of about 7 hours, a verbatim report of the first five of which are included here, was about energy conservation. Several new clauses and amendments were discussed. One would place a duty on the new Director of the Energy Supply industry to promote the efficiency and conservation of energy, another would appoint a Deputy Director with responsibility for energy conservation, and the third would require targets of energy efficiency and pollution reduction to be achieved. This allowed discussion on energy saving by domestic thermal insulation, improved efficiency of heating and refrigeration units and on renewable energy sources especially world energy. The second part of the debate was about access to information regarding health and safety resulting from any activities of the electricity supply industry. The remainder of the debate concerned regional representation and the economics of the electricity supply industry. (UK)

  17. Generalized Linear Covariance Analysis

    Science.gov (United States)

    Carpenter, James R.; Markley, F. Landis

    2014-01-01

    This talk presents a comprehensive approach to filter modeling for generalized covariance analysis of both batch least-squares and sequential estimators. We review and extend in two directions the results of prior work that allowed for partitioning of the state space into solve-for'' and consider'' parameters, accounted for differences between the formal values and the true values of the measurement noise, process noise, and textita priori solve-for and consider covariances, and explicitly partitioned the errors into subspaces containing only the influence of the measurement noise, process noise, and solve-for and consider covariances. In this work, we explicitly add sensitivity analysis to this prior work, and relax an implicit assumption that the batch estimator's epoch time occurs prior to the definitive span. We also apply the method to an integrated orbit and attitude problem, in which gyro and accelerometer errors, though not estimated, influence the orbit determination performance. We illustrate our results using two graphical presentations, which we call the variance sandpile'' and the sensitivity mosaic,'' and we compare the linear covariance results to confidence intervals associated with ensemble statistics from a Monte Carlo analysis.

  18. Linear induction accelerators

    International Nuclear Information System (INIS)

    Briggs, R.J.

    1986-06-01

    The development of linear induction accelerators has been motivated by applications requiring high-pulsed currents of charged particles at voltages exceeding the capability of single-stage, diode-type accelerators and at currents too high for rf accelerators. In principle, one can accelerate charged particles to arbitrarily high voltages using a multi-stage induction machine, but the 50-MeV, 10-kA Advanced Test Accelerator (ATA) at LLNL is the highest voltage machine in existence at this time. The advent of magnetic pulse power systems makes sustained operation at high-repetition rates practical, and this capability for high-average power is very likely to open up many new applications of induction machines in the future. This paper surveys the US induction linac technology with primary emphasis on electron machines. A simplified description of how induction machines couple energy to the electron beam is given, to illustrate many of the general issues that bound the design space of induction linacs

  19. Linear induction accelerators

    International Nuclear Information System (INIS)

    Briggs, R.J.

    1986-01-01

    The development of linear induction accelerators has been motivated by applications requiring high-pulsed currents of charged particles at voltages exceeding the capability of single-stage, diode-type accelerators and at currents too high for r.f. accelerators. In principle, one can accelerate charged particles to arbitrarily high voltages using a multi-stage induction machine, but the 50-MeV, 10-kA Advanced Test Accelerator (ATA) at LLNL is the highest voltage machine in existence at this time. The advent of magnetic pulse power systems makes sustained operation at high-repetition rates practical, and this capability for high-average power in very likely to open up many new applications of induction machines in the future. The US induction linac technology is surveyed with primary emphasis on electron machines. A simplified description of how induction machines couple energy to the electron beam is given, to illustrate many of the general issues that bound the design space of induction linacs. A key issue in all high-intensity linacs is that of beam instability

  20. Electric Car

    Science.gov (United States)

    1977-01-01

    NASA's Lewis Research Center undertook research toward a practical, economical battery with higher energy density. Borrowing from space satellite battery technology, Lewis came up with a nickel-zinc battery that promises longer life and twice the range of the lead-acid counterpart. Lewis researchers fabricated a prototype battery and installed it in an Otis P-500 electric utility van, using only the battery space already available and allowing battery weight equal to that of the va's conventional lead-acid battery

  1. Electrical deregulation

    International Nuclear Information System (INIS)

    Simpson, R.

    2001-01-01

    Deregulation in the electricity sector took effect on January 1, 2001 in Alberta. Business consumers discovered that their electricity rates had almost doubled in a one-month period. The government argued that it was the case of short term pain for long term gain. The intent of the deregulation is the lowering of prices through competition. This principle applies when the supply meets the demand, but when the demand exceeds the supply, prices increase. When initial plans were made for the deregulation of the sector, utilities did not invest huge amounts of capital to build new generation plants, as it was not known how they would fare in the deregulated environment. This situation was compounded by the fact that there was an economic boom around the same time in Alberta, adding to the demands made on the existing generation infrastructure (approximately 4 per cent per year over the past decade). At the moment, some resource developers such as Syncrude, Amoco, and Daishowa produce their own electricity and export their excess capacity to the provincial grid for general use. The rules of the deregulated market have been clarified and a number of utilities are planning new generation plants and facilities. TransAlta, EPCOR, and Enmax Corp. have announced plans to expand or build new coal-fired plants. Alberta has an estimated 35 billion tonnes of recoverable coal, and 25 million tonnes of coal were used in 1999 to produce 75 per cent of the electricity required in Alberta. Over the next ten years, 4,000 megawatts of new capacity is planned, representing a 50 per cent increase over current levels. AES Corporation, a Virginia power giant, has also announced plans to build a generator in Alberta

  2. Electrically Controllable Spontaneous Magnetism in Nanoscale Mixed Phase Multiferroics

    Energy Technology Data Exchange (ETDEWEB)

    He, Q.; Chu, Y. H.; Heron, J. T.; Yang, S. Y.; Wang, C. H.; Kuo, C. Y.; Lin, H. J.; Yu, P.; Liang, C. W.; Zeches, R. J.; Chen, C. T.; Arenholz, E.; Scholl, A.; Ramesh, R.

    2010-08-02

    The emergence of enhanced spontaneous magnetic moments in self-assembled, epitaxial nanostructures of tetragonal (T-phase) and rhombohedral phases (R-phase) of the multiferroic BiFeO{sub 3} system is demonstrated. X-ray magnetic circular dichroism based photoemission electron microscopy (PEEM) was applied to investigate the local nature of this magnetism. We find that the spontaneous magnetization of the R-phase is significantly enhanced above the canted antiferromagnetic moment in the bulk phase, as a consequence of a piezomagnetic coupling to the adjacent T-phase and the epitaxial constraint. Reversible electric field control and manipulation of this magnetic moment at room temperature is shown using a combination of piezoresponse force microscopy and PEEM studies.

  3. Position sensor for linear synchronous motors employing halbach arrays

    Science.gov (United States)

    Post, Richard Freeman

    2014-12-23

    A position sensor suitable for use in linear synchronous motor (LSM) drive systems employing Halbach arrays to create their magnetic fields is described. The system has several advantages over previously employed ones, especially in its simplicity and its freedom from being affected by weather conditions, accumulated dirt, or electrical interference from the LSM system itself.

  4. A seismic vertical vibrator driven by linear synchronous motors

    NARCIS (Netherlands)

    Noorlandt, R.P.; Drijkoningen, G.G.; Dams, J.; Jenneskens, R.

    2015-01-01

    A linear synchronous motor (LSM) is an electric motor that can produce large controllable forces and is therefore suitable as a driving engine for a seismic vibrator. This motor consists of two independent elements, a magnet track and a coil track, allowing practically unlimited motor displacements.

  5. Random linear codes in steganography

    Directory of Open Access Journals (Sweden)

    Kamil Kaczyński

    2016-12-01

    Full Text Available Syndrome coding using linear codes is a technique that allows improvement in the steganographic algorithms parameters. The use of random linear codes gives a great flexibility in choosing the parameters of the linear code. In parallel, it offers easy generation of parity check matrix. In this paper, the modification of LSB algorithm is presented. A random linear code [8, 2] was used as a base for algorithm modification. The implementation of the proposed algorithm, along with practical evaluation of algorithms’ parameters based on the test images was made.[b]Keywords:[/b] steganography, random linear codes, RLC, LSB

  6. Experimental Evaluation of the Free Piston Engine - Linear Alternator (FPLA)

    Energy Technology Data Exchange (ETDEWEB)

    Leick, Michael T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moses, Ronald W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-03-01

    This report describes the experimental evaluation of a prototype free piston engine - linear alternator (FPLA) system developed at Sandia National Laboratories. The opposed piston design wa developed to investigate its potential for use in hybrid electric vehicles (HEVs). The system is mechanically simple with two - stroke uniflow scavenging for gas exchange and timed port fuel injection for fuel delivery, i.e. no complex valving. Electrical power is extracted from piston motion through linear alternators wh ich also provide a means for passive piston synchronization through electromagnetic coupling. In an HEV application, this electrical power would be used to charge the batteries. The engine - alternator system was designed, assembled and operated over a 2 - year period at Sandia National Laboratories in Livermore, CA. This report primarily contains a description of the as - built system, modifications to the system to enable better performance, and experimental results from start - up, motoring, and hydrogen combus tion tests.

  7. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions

    DEFF Research Database (Denmark)

    Johannessen, Christian; Thulstrup, Peter W.

    2007-01-01

    Vibrational absorption (VA) and vibrational circular dichroism (VCD) spectroscopy was applied in the analysis of vibrational and low lying electronic transitions of a triplet ground state cobalt(III) coordination compound. The spectroscopic measurements were performed on the tetrabutylammonium salt...... of (6S, 7S)-1,3,5,8,10,12-hexaaza-2,4,9,11-tetraoxo-6,7-diphenyl-dodecanato(4-) cobaltate( III) in DMSO solution and in potassium bromide pellets. The chiral anion exhibits an unusual geometry for cobalt( III), being four-coordinate, planar, and paramagnetic with an intermediate spin state....... The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition...

  8. Optically active free radicals: circular dichroism, optical absorption and emission and ESR studies on optically active 1S(+)- and 1R(-)-camphorquinone radicals

    Science.gov (United States)

    Sur, S.; Colpa, J. P.; Wan, J. K. S.

    1986-09-01

    Optical activity of the transient camphorquinone radical anions has been measured at room temperature by circular dichroism (CD). The steady state CD and kinetic decay of the CD absorption band at ≈ 314 nm of these transient species demonstrate the nature of optical activity in the radicals from 1S(+)-camphorquinone and 1R(-)-camphorquinone. ESR, optical absorption and fluorescence emission were also used to characterise the radicals. Existence of an ion-pair equilibrium between radical monomer and paramagnetic dimer during sodium metal reduction is shown by ESR and optical studies. The radical monomer in ethanol absorbs at ≈ 324 nm and has an emission band at ≈ 390 nm. The absorption and fluorescence emission of the dimer in diethyl ether occur at ≈ 266 and ≈ 290 nm respectively.

  9. Studies on the conformational transformations of L-arginine molecule in aqueous solution with temperature changing by circular dichroism spectroscopy and optical rotations

    Science.gov (United States)

    Wang, Luning; Zhang, Guanghui; Wang, Xinqiang; Wang, Lei; Liu, Xitao; Jin, Lutong; Xu, Dong

    2012-10-01

    Experimental measurements, including circular dichroism (CD) spectroscopy and optical rotations have been employed to characterize the changing tendency of molecular conformations of the full protonated L-arginine (LA2+) in aqueous solution with the rising of temperature. Calculating methods, including conformational search, molecular structural optimization, CD responses as well as specific rotation calculations have been performed to interpret experimental results. Calculated results, no matter in CD spectra or specific rotations, are consistent with experiments, which strongly certify the transformation of molecular conformations. This successful reproduction of experimental results with molecular simulations in both areas of CD responses and optical rotations is of great significance. More detailed analysis about the relationship between LA2+ molecular structure and the optical activity has been conducted.

  10. Time-and-state resolved spectroscopy, diffraction, and circular dichroism in core photoelectron emission from clean and oxygen-covered W(110)

    Energy Technology Data Exchange (ETDEWEB)

    Ynzunza, Ramon Xavier [Univ. of California, Berkeley, CA (United States)

    1998-10-01

    Several aspects of core-level photoelectron emission fi-om solid surfaces as excited by high-brightness variable-polarization synchrotrons radiation have been studied with a new beamline and experimental station at the Advanced Light Source in Berkeley. These include: resolution of different chemical states and site types via high-resolution photoelectron spectroscopy (PS), the use of state-resolved photoelectron difllaction (PD) to determine local atomic geometries, and the observation and analysis of circular dichroism (CD) effects in photoelectron diffraction. These methods have been applied to clean and oxygen-exposed surfaces of W(110). Full-solid-angle photoelectron diffraction from clean W(110) was measured, with the surface and bulk atoms being clearly resolved.

  11. Approximation with positive linear operators and linear combinations

    CERN Document Server

    Gupta, Vijay

    2017-01-01

    This book presents a systematic overview of approximation by linear combinations of positive linear operators, a useful tool used to increase the order of approximation. Fundamental and recent results from the past decade are described with their corresponding proofs. The volume consists of eight chapters that provide detailed insight into the representation of monomials of the operators Ln , direct and inverse estimates for a broad class of positive linear operators, and case studies involving finite and unbounded intervals of real and complex functions. Strong converse inequalities of Type A in terminology of Ditzian–Ivanov for linear combinations of Bernstein and Bernstein–Kantorovich operators and various Voronovskaja-type estimates for some linear combinations are analyzed and explained. Graduate students and researchers in approximation theory will find the list of open problems in approximation of linear combinations useful. The book serves as a reference for graduate and postgraduate courses as we...

  12. Linear Algebraic Method for Non-Linear Map Analysis

    International Nuclear Information System (INIS)

    Yu, L.; Nash, B.

    2009-01-01

    We present a newly developed method to analyze some non-linear dynamics problems such as the Henon map using a matrix analysis method from linear algebra. Choosing the Henon map as an example, we analyze the spectral structure, the tune-amplitude dependence, the variation of tune and amplitude during the particle motion, etc., using the method of Jordan decomposition which is widely used in conventional linear algebra.

  13. Climate Action Benefits: Electricity

    Science.gov (United States)

    This page provides background on the relationship between electricity and climate change and describes what the CIRA Electricity analyses cover. It provides links to the subsectors Electricity Demand and Electricity Supply.

  14. Temperature and magnetic field dependence of the soft X-ray magnetic circular dichroism intensity for the Mn-L3 edge of MnFeP0.78Ge0.22

    NARCIS (Netherlands)

    Tsunekawa, M.; Imada, S.; Matsumoto, A.; Yamasaki, A.; Suga, S.; Schmid, B.; Higashimichi, H.; Hattori, Y.; Nakamura, T.; Brück, E.

    2007-01-01

    Soft X-ray magnetic circular dichroism (XMCD) measurements were performed at the L3 edge of manganese for MnFeP0.78Ge0.22 at 290 and 279 K. Temperature and magnetic field dependence of the XMCD intensity was clearly observed, which is consistent with that of the magnetization measurements as

  15. Solar Electricity

    Science.gov (United States)

    1988-01-01

    ARCO Solar manufactures PV Systems tailored to a broad variety of applications. PV arrays are routinely used at remote communications installations to operate large microwave repeaters, TV and radio repeaters rural telephone, and small telemetry systems that monitor environmental conditions. Also used to power agricultural water pumping systems, to provide electricity for isolated villages and medical clinics, for corrosion protection for pipelines and bridges, to power railroad signals, air/sea navigational aids, and for many types of military systems. ARCO is now moving into large scale generation for utilities.

  16. Forecasting residential electricity demand in provincial China.

    Science.gov (United States)

    Liao, Hua; Liu, Yanan; Gao, Yixuan; Hao, Yu; Ma, Xiao-Wei; Wang, Kan

    2017-03-01

    In China, more than 80% electricity comes from coal which dominates the CO2 emissions. Residential electricity demand forecasting plays a significant role in electricity infrastructure planning and energy policy designing, but it is challenging to make an accurate forecast for developing countries. This paper forecasts the provincial residential electricity consumption of China in the 13th Five-Year-Plan (2016-2020) period using panel data. To overcome the limitations of widely used predication models with unreliably prior knowledge on function forms, a robust piecewise linear model in reduced form is utilized to capture the non-deterministic relationship between income and residential electricity consumption. The forecast results suggest that the growth rates of developed provinces will slow down, while the less developed will be still in fast growing. The national residential electricity demand will increase at 6.6% annually during 2016-2020, and populous provinces such as Guangdong will be the main contributors to the increments.

  17. UK electricity `94

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1994-12-31

    A detailed factual account is presented of the achievements of the UK electricity industry in 1994. The review is divided into sections headed: the UK energy market and electricity`s share; the electricity market; electricity prices; the electric power supply system; quality of service; protection of the environment; manpower and safety trends; business diverisification and the electricity industry in the European Union. Statistical tables are presented on power stations in the UK and key electricity and energy statistics.

  18. Equivalent linearization of nonlinear forces

    Science.gov (United States)

    Meng, Guang; Xue, Zhongqing

    1987-07-01

    A method used for equivalent linearization of the two orthogonal squeeze-film forces is extended here to the general case of n degrees of freedom and n components of nonlinear forces, and the expressions for equivalent linear coefficients are derived. Nonlinear forces can be linearized by the methods of Fourier expansion, active and reactive powers, or mean-square error. The n components of nonlinear forces can all be expressed formally as the sum of an average force, a linear spring force, and a linear damping force. This paper also gives a flow chart for calculating the steady-state responses of a nonlinear system with many degrees of freedom, using the method of equivalent linearization. The resulting saving in computation time is demonstrated by a numerical example of a flexible rotor-bearing system with a noncentralized squeeze-film damper.

  19. Sparse Linear Identifiable Multivariate Modeling

    DEFF Research Database (Denmark)

    Henao, Ricardo; Winther, Ole

    2011-01-01

    In this paper we consider sparse and identifiable linear latent variable (factor) and linear Bayesian network models for parsimonious analysis of multivariate data. We propose a computationally efficient method for joint parameter and model inference, and model comparison. It consists of a fully...... Bayesian hierarchy for sparse models using slab and spike priors (two-component δ-function and continuous mixtures), non-Gaussian latent factors and a stochastic search over the ordering of the variables. The framework, which we call SLIM (Sparse Linear Identifiable Multivariate modeling), is validated...... computational complexity. We attribute this mainly to the stochastic search strategy used, and to parsimony (sparsity and identifiability), which is an explicit part of the model. We propose two extensions to the basic i.i.d. linear framework: non-linear dependence on observed variables, called SNIM (Sparse Non-linear...

  20. Electric-Drive Vehicles

    Energy Technology Data Exchange (ETDEWEB)

    None

    2017-09-01

    Electric-drive vehicles use electricity as their primary fuel or to improve the efficiency of conventional vehicle designs. These vehicles can be divided into three categories: Hybrid electric vehicles (HEVs), Plug-in hybrid electric vehicles (PHEVs), All-electric vehicles (EVs). Together, PHEVs and EVs can also be referred to as plug-in electric vehicles (PEVs).