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Sample records for cell linear dichroism

  1. 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...

  2. 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.

  3. 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

  4. 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.

  5. 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...

  6. 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.

  7. 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.

  8. 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.

  9. 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...

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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...

  17. 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...

  18. 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)...

  19. 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.

  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. 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.

  2. 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....

  3. 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....

  4. 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.

  5. 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.

  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. Linearity Testing of Photovoltaic Cells

    Energy Technology Data Exchange (ETDEWEB)

    Pinegar, S.; Nalley, D.; Emery, K.

    2006-01-01

    Photovoltaic devices are rated in terms of their power output or efficiency with respect to a specific spectrum, total irradiance, and temperature. In order to rate photovoltaic devices, a reference detector whose response is linear with total irradiance is needed. This procedure documents a procedure to determine if a detector is linear over the irradiance range of interest. Testing the short circuit current versus the total irradiance is done by illuminating a reference cell candidate with two lamps that are fitted with programmable filter wheels. The purpose is to reject nonlinear samples as determined by national and international standards from being used as primary reference cells. A calibrated linear reference cell tested by the two lamp method yields a linear result.

  8. 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.

  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.

  10. 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

  11. 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

  12. 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

  13. Linear Basal Cell Carcinoma: A Case Report

    Directory of Open Access Journals (Sweden)

    Yuko Ichinokawa

    2011-07-01

    Full Text Available Basal cell carcinoma (BCC presents with diverse clinical features, and several morphologic and histologic variants of BCC have been reported [Sexton et al.: J Am Acad Dermatol 1990;23:1118–1126]. Linear BCC was first described as a new clinical subtype in 1985 by Lewis [Int J Dematol 1985;24:124–125]. Here, we present a case of linear BCC that we recently encountered in an elderly Japanese patient, and review other cases reported in Japan.

  14. 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.

  15. 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

  16. Improved method for predicting linear B-cell epitopes

    OpenAIRE

    Larsen, Jens Erik Pontoppidan; Lund, Ole; Nielsen, Morten

    2006-01-01

    Background B-cell epitopes are the sites of molecules that are recognized by antibodies of the immune system. Knowledge of B-cell epitopes may be used in the design of vaccines and diagnostics tests. It is therefore of interest to develop improved methods for predicting B-cell epitopes. In this paper, we describe an improved method for predicting linear B-cell epitopes. Results In order to do this, three data sets of linear B-cell epitope annotated proteins were constructed. A data set was co...

  17. EPMLR: sequence-based linear B-cell epitope prediction method using multiple linear regression.

    Science.gov (United States)

    Lian, Yao; Ge, Meng; Pan, Xian-Ming

    2014-12-19

    B-cell epitopes have been studied extensively due to their immunological applications, such as peptide-based vaccine development, antibody production, and disease diagnosis and therapy. Despite several decades of research, the accurate prediction of linear B-cell epitopes has remained a challenging task. In this work, based on the antigen's primary sequence information, a novel linear B-cell epitope prediction model was developed using the multiple linear regression (MLR). A 10-fold cross-validation test on a large non-redundant dataset was performed to evaluate the performance of our model. To alleviate the problem caused by the noise of negative dataset, 300 experiments utilizing 300 sub-datasets were performed. We achieved overall sensitivity of 81.8%, precision of 64.1% and area under the receiver operating characteristic curve (AUC) of 0.728. We have presented a reliable method for the identification of linear B cell epitope using antigen's primary sequence information. Moreover, a web server EPMLR has been developed for linear B-cell epitope prediction: http://www.bioinfo.tsinghua.edu.cn/epitope/EPMLR/ .

  18. Controllability analysis of decentralised linear controllers for polymeric fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Serra, Maria; Aguado, Joaquin; Ansede, Xavier; Riera, Jordi [Institut de Robotica i Informatica Industrial, Universitat Politecnica de Catalunya - Consejo Superior de Investigaciones Cientificas, C. Llorens i Artigas 4, 08028 Barcelona (Spain)

    2005-10-10

    This work deals with the control of polymeric fuel cells. It includes a linear analysis of the system at different operating points, the comparison and selection of different control structures, and the validation of the controlled system by simulation. The work is based on a complex non linear model which has been linearised at several operating points. The linear analysis tools used are the Morari resiliency index, the condition number, and the relative gain array. These techniques are employed to compare the controllability of the system with different control structures and at different operating conditions. According to the results, the most promising control structures are selected and their performance with PI based diagonal controllers is evaluated through simulations with the complete non linear model. The range of operability of the examined control structures is compared. Conclusions indicate good performance of several diagonal linear controllers. However, very few have a wide operability range. (author)

  19. 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

  20. Predicting linear B-cell epitopes using string kernels

    Science.gov (United States)

    EL-Manzalawy, Yasser; Dobbs, Drena; Honavar, Vasant

    2008-01-01

    The identification and characterization of B-cell epitopes play an important role in vaccine design, immunodiagnostic tests, and antibody production. Therefore, computational tools for reliably predicting linear B-cell epitopes are highly desirable. We evaluated Support Vector Machine (SVM) classifiers trained utilizing five different kernel methods using fivefold cross-validation on a homology-reduced data set of 701 linear B-cell epitopes, extracted from Bcipep database, and 701 non-epitopes, randomly extracted from SwissProt sequences. Based on the results of our computational experiments, we propose BCPred, a novel method for predicting linear B-cell epitopes using the subsequence kernel. We show that the predictive performance of BCPred (AUC = 0.758) outperforms 11 SVM-based classifiers developed and evaluated in our experiments as well as our implementation of AAP (AUC = 0.7), a recently proposed method for predicting linear B-cell epitopes using amino acid pair antigenicity. Furthermore, we compared BCPred with AAP and ABCPred, a method that uses recurrent neural networks, using two data sets of unique B-cell epitopes that had been previously used to evaluate ABCPred. Analysis of the data sets used and the results of this comparison show that conclusions about the relative performance of different B-cell epitope prediction methods drawn on the basis of experiments using data sets of unique B-cell epitopes are likely to yield overly optimistic estimates of performance of evaluated methods. This argues for the use of carefully homology-reduced data sets in comparing B-cell epitope prediction methods to avoid misleading conclusions about how different methods compare to each other. Our homology-reduced data set and implementations of BCPred as well as the APP method are publicly available through our web-based server, BCPREDS, at: http://ailab.cs.iastate.edu/bcpreds/. PMID:18496882

  1. Cell design for the DARHT linear induction accelerators

    International Nuclear Information System (INIS)

    Burns, M.; Allison, P.; Earley, L.; Liska, D.; Mockler, C.; Ruhe, J.; Tucker, H.; Walling, L.

    1991-01-01

    The Dual-Axis Radiographic Hydrotest (DARHT) facility will employ two linear induction accelerators to produce intense, bremsstrahlung x- ray pulses for flash radiography. The accelerator cell design for a 3- kA, 16--20 MeV, 60-ns flattop, high-brightness electron beam is presented. The cell is optimized for high-voltage stand-off while also minimizing the its transverse impedance. Measurements of high- voltage and rf characteristics are summarized. 7 refs., 5 figs

  2. 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.

  3. 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

  4. Cell Mean Versus Best Linear Unbiased Predictors in Biplot ...

    African Journals Online (AJOL)

    In multi-environment trials, accurate estimation of yields in individual environments and astute choice ... AMMI analysis of variance based on cell means depicted the first five ..... Genotype grain yield expressed as best linear unbiased predictors for 39 barley genotypes grown in 18 environments (a combination of 3 sowing.

  5. Linear and Non-Linear Optical Imaging of Cancer Cells with Silicon Nanoparticles

    Directory of Open Access Journals (Sweden)

    Elen Tolstik

    2016-09-01

    Full Text Available New approaches for visualisation of silicon nanoparticles (SiNPs in cancer cells are realised by means of the linear and nonlinear optics in vitro. Aqueous colloidal solutions of SiNPs with sizes of about 10–40 nm obtained by ultrasound grinding of silicon nanowires were introduced into breast cancer cells (MCF-7 cell line. Further, the time-varying nanoparticles enclosed in cell structures were visualised by high-resolution structured illumination microscopy (HR-SIM and micro-Raman spectroscopy. Additionally, the nonlinear optical methods of two-photon excited fluorescence (TPEF and coherent anti-Stokes Raman scattering (CARS with infrared laser excitation were applied to study the localisation of SiNPs in cells. Advantages of the nonlinear methods, such as rapid imaging, which prevents cells from overheating and larger penetration depth compared to the single-photon excited HR-SIM, are discussed. The obtained results reveal new perspectives of the multimodal visualisation and precise detection of the uptake of biodegradable non-toxic SiNPs by cancer cells and they are discussed in view of future applications for the optical diagnostics of cancer tumours.

  6. Linear and Non-Linear Optical Imaging of Cancer Cells with Silicon Nanoparticles.

    Science.gov (United States)

    Tolstik, Elen; Osminkina, Liubov A; Akimov, Denis; Gongalsky, Maksim B; Kudryavtsev, Andrew A; Timoshenko, Victor Yu; Heintzmann, Rainer; Sivakov, Vladimir; Popp, Jürgen

    2016-09-12

    New approaches for visualisation of silicon nanoparticles (SiNPs) in cancer cells are realised by means of the linear and nonlinear optics in vitro. Aqueous colloidal solutions of SiNPs with sizes of about 10-40 nm obtained by ultrasound grinding of silicon nanowires were introduced into breast cancer cells (MCF-7 cell line). Further, the time-varying nanoparticles enclosed in cell structures were visualised by high-resolution structured illumination microscopy (HR-SIM) and micro-Raman spectroscopy. Additionally, the nonlinear optical methods of two-photon excited fluorescence (TPEF) and coherent anti-Stokes Raman scattering (CARS) with infrared laser excitation were applied to study the localisation of SiNPs in cells. Advantages of the nonlinear methods, such as rapid imaging, which prevents cells from overheating and larger penetration depth compared to the single-photon excited HR-SIM, are discussed. The obtained results reveal new perspectives of the multimodal visualisation and precise detection of the uptake of biodegradable non-toxic SiNPs by cancer cells and they are discussed in view of future applications for the optical diagnostics of cancer tumours.

  7. Linear and Non-Linear Optical Imaging of Cancer Cells with Silicon Nanoparticles

    Science.gov (United States)

    Tolstik, Elen; Osminkina, Liubov A.; Akimov, Denis; Gongalsky, Maksim B.; Kudryavtsev, Andrew A.; Timoshenko, Victor Yu.; Heintzmann, Rainer; Sivakov, Vladimir; Popp, Jürgen

    2016-01-01

    New approaches for visualisation of silicon nanoparticles (SiNPs) in cancer cells are realised by means of the linear and nonlinear optics in vitro. Aqueous colloidal solutions of SiNPs with sizes of about 10–40 nm obtained by ultrasound grinding of silicon nanowires were introduced into breast cancer cells (MCF-7 cell line). Further, the time-varying nanoparticles enclosed in cell structures were visualised by high-resolution structured illumination microscopy (HR-SIM) and micro-Raman spectroscopy. Additionally, the nonlinear optical methods of two-photon excited fluorescence (TPEF) and coherent anti-Stokes Raman scattering (CARS) with infrared laser excitation were applied to study the localisation of SiNPs in cells. Advantages of the nonlinear methods, such as rapid imaging, which prevents cells from overheating and larger penetration depth compared to the single-photon excited HR-SIM, are discussed. The obtained results reveal new perspectives of the multimodal visualisation and precise detection of the uptake of biodegradable non-toxic SiNPs by cancer cells and they are discussed in view of future applications for the optical diagnostics of cancer tumours. PMID:27626408

  8. Linear diode laser bar optical stretchers for cell deformation

    Science.gov (United States)

    Sraj, Ihab; Marr, David W.M.; Eggleton, Charles D.

    2010-01-01

    To investigate the use of linear diode laser bars to optically stretch cells and measure their mechanical properties, we present numerical simulations using the immersed boundary method (IBM) coupled with classic ray optics. Cells are considered as three-dimensional (3D) spherical elastic capsules immersed in a fluid subjected to both optical and hydrodynamic forces in a periodic domain. We simulate cell deformation induced by both single and dual diode laser bar configurations and show that a single diode laser bar induces significant stretching but also induces cell translation of speed < 10 µm/sec for applied 6.6 mW/µm power in unconfined systems. The dual diode laser bar configuration, however, can be used to both stretch and optically trap cells at a fixed position. The net cell deformation was found to be a function of the total laser power and not the power distribution between single or dual diode laser bar configurations. PMID:21258483

  9. Linear thermal expansion coefficient measurement technology in hot cell

    International Nuclear Information System (INIS)

    Park, Dae Gyu; Choo, Yong Sun; Ahn, Sang Bok; Hong, Kwon Pyo; Lee, K. S.

    1998-06-01

    To establish linear thermal expansion coefficient measurement technology in hot cell, we reviewed and evaluated various measuring technology by paper and these were compared with the data produced with pre-installed dilatometer in hot cell. Detailed contents are as follows; - The theory of test. - Review of characteristics for various measurement technology and compatibility with hot cell. - Review of standard testing regulations(ASTM). - System calibration of pre-installed dilatometer. - Performance test of pre-installed dilatometer. (author). 12 refs., 15 tabs., 8 figs

  10. 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

  11. Feedback Linearized Aircraft Control Using Dynamic Cell Structure

    Science.gov (United States)

    Jorgensen, C. C.

    1998-01-01

    A Dynamic Cell Structure (DCS ) Neural Network was developed which learns a topology representing network (TRN) of F-15 aircraft aerodynamic stability and control derivatives. The network is combined with a feedback linearized tracking controller to produce a robust control architecture capable of handling multiple accident and off-nominal flight scenarios. This paper describes network and its performance for accident scenarios including differential stabilator lock, soft sensor failure, control, stability derivative variation, and turbulence.

  12. 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

  13. 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

  14. How pathogens use linear motifs to perturb host cell networks

    KAUST Repository

    Via, Allegra

    2015-01-01

    Molecular mimicry is one of the powerful stratagems that pathogens employ to colonise their hosts and take advantage of host cell functions to guarantee their replication and dissemination. In particular, several viruses have evolved the ability to interact with host cell components through protein short linear motifs (SLiMs) that mimic host SLiMs, thus facilitating their internalisation and the manipulation of a wide range of cellular networks. Here we present convincing evidence from the literature that motif mimicry also represents an effective, widespread hijacking strategy in prokaryotic and eukaryotic parasites. Further insights into host motif mimicry would be of great help in the elucidation of the molecular mechanisms behind host cell invasion and the development of anti-infective therapeutic strategies.

  15. scid cells efficiently integrate hairpin and linear DNA substrates.

    Science.gov (United States)

    Staunton, J E; Weaver, D T

    1994-01-01

    The scid mouse mutation affects V(D)J rearrangement and double-strand break repair. scid V(D)J rearrangement is characterized by defective coding joint formation which prevents the development of mature B and T cells. Hairpin DNA has been implicated in the formation of V(D)J coding joints. We found scid cells to be proficient in hairpin processing in the context of DNA integration. In addition, we found that the scid defect did not impair integration of linear DNA via nonhomologous recombination. Therefore, hairpin processing and integration of DNA into the genome are distinct from hypersensitivity to ionizing radiation and the defect in V(D)J recombination. Images PMID:8196630

  16. Conformational Plasticity of the Cell-Penetrating Peptide SAP As Revealed by Solid-State19F-NMR and Circular Dichroism Spectroscopies.

    Science.gov (United States)

    Afonin, Sergii; Kubyshkin, Vladimir; Mykhailiuk, Pavel K; Komarov, Igor V; Ulrich, Anne S

    2017-07-13

    The cell-penetrating peptide SAP, which was designed as an amphipathic poly-l-proline helix II (PPII), was suggested to self-assemble into regular fibrils that are relevant for its internalization. Herein we have analyzed the structure of SAP in the membrane-bound state by solid-state 19 F-NMR, which revealed other structural states, in addition to the expected surface-aligned PPII. Trifluoromethyl-bicyclopentyl-glycine (CF 3 -Bpg) and two rigid isomers of trifluoromethyl-4,5-methanoprolines (CF 3 -MePro) were used as labels for 19 F-NMR analysis. The equilibria between different conformations of SAP were studied and were found to be shifted by the substituents at Pro-11. Synchrotron-CD results suggested that substituting Pro-11 by CF 3 -MePro governed the coil-to-PPII equilibrium in solution and in the presence of a lipid bilayer. Using CD and 19 F-NMR, we examined the slow kinetics of the association of SAP with membranes and the dependence of the SAP conformational dynamics on the lipid composition. The peptide did not bind to lipids in the solid ordered phase and aggregated only in the liquid ordered "raft"-like bilayers. Self-association could not be detected in solution or in the presence of liquid disordered membranes. Surface-bound amphipathic SAP in a nonaggregated state was structured as a mixture of nonideal extended conformations reflecting the equilibrium already present in solution, i.e., before binding to the membrane.

  17. Obtaining the Wakefield Due to Cell-to-Cell Misalignments in a Linear Accelerator Structure

    OpenAIRE

    Bane, Karl L. F.; Li, Zenghai

    2001-01-01

    A linear accelerator structure, such as will be used in the linacs of the JLC/NLC collider, is composed of on the order of 100 cells. The cells are constructed as individual cups that are brazed together to form a structure. Fabrication error will result in slight cell-to-cell misalignments along the finished structure. In this report we derive an approximation to the transverse wakefield of a structure with cell-to-cell misalignments in terms of the eigenfunctions and eigenvalues of the erro...

  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. Quantification of stromal vascular cell mechanics with a linear cell monolayer rheometer

    Energy Technology Data Exchange (ETDEWEB)

    Elkins, Claire M., E-mail: cma9@stanford.edu; Fuller, Gerald G. [Department of Chemical Engineering, Stanford University, Stanford, California 94305 (United States); Shen, Wen-Jun; Khor, Victor K.; Kraemer, Fredric B. [Division of Endocrinology, Gerontology and Metabolism, Stanford University, Stanford, California 94305 and Veterans Affairs Palo Alto Health Care System, Palo Alto, California 94304 (United States)

    2015-01-15

    Over the past few decades researchers have developed a variety of methods for measuring the mechanical properties of whole cells, including traction force microscopy, atomic force microscopy (AFM), and single-cell tensile testing. Though each of these techniques provides insight into cell mechanics, most also involve some nonideal conditions for acquiring live cell data, such as probing only one portion of a cell at a time, or placing the cell in a nonrepresentative geometry during testing. In the present work, we describe the development of a linear cell monolayer rheometer (LCMR) and its application to measure the mechanics of a live, confluent monolayer of stromal vascular cells. In the LCMR, a monolayer of cells is contacted on both top and bottom by two collagen-coated plates and allowed to adhere. The top plate then shears the monolayer by stepping forward to induce a predetermined step strain, while a force transducer attached to the top plate collects stress information. The stress and strain data are then used to determine the maximum relaxation modulus recorded after step-strain, G{sub r}{sup 0}, referred to as the zero-time relaxation modulus of the cell monolayer. The present study validates the ability of the LCMR to quantify cell mechanics by measuring the change in G{sub r}{sup 0} of a confluent cell monolayer upon the selective inhibition of three major cytoskeletal components (actin microfilaments, vimentin intermediate filaments, and microtubules). The LCMR results indicate that both actin- and vimentin-deficient cells had ∼50% lower G{sub r}{sup 0} values than wild-type, whereas tubulin deficiency resulted in ∼100% higher G{sub r}{sup 0} values. These findings constitute the first use of a cell monolayer rheometer to quantitatively distinguish the roles of different cytoskeletal elements in maintaining cell stiffness and structure. Significantly, they are consistent with results obtained using single-cell mechanical testing methods

  20. Magnetic Microfluidic Linear Halbach Array Configuration for Cell Separation

    Directory of Open Access Journals (Sweden)

    Saeed Omer

    2018-01-01

    Full Text Available The different type of blood entities like red blood cells (RBCs, white blood cell (WBCs and platelets counts is a critical point in routine medical tests. Circulating tumor cells (CTCs counting and analysing in the blood is indicative of the stage and origin of cancer in particular time. Here we are describing a proposed microfluidic device, used a magnetic means for CTCs separation from a blood or buffer sample. The device characterizations were simulated using COMSOL MULTIPHYSICS software as well as practically validated. Using a known spiked number of CTCs in the sample, the purity and recovery rate were calculated to be 93% and respectively.

  1. 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

  2. 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.

  3. Linear Look-ahead in Conjunctive Cells: An Entorhinal Mechanism for Vector-Based Navigation

    Directory of Open Access Journals (Sweden)

    John L Kubie

    2012-04-01

    Full Text Available The crisp organization of the firing bumps of entorhinal grid cells and conjunctive cells leads to the notion that the entorhinal cortex may compute linear navigation routes. Specifically, we propose a process, termed linear look-ahead, by which a stationary animal could compute a series of locations in the direction it is facing. We speculate that this computation could be achieved through learned patterns of connection strengths among entorhinal neurons. This paper has three sections. First, we describe the minimal grid cell properties that will be built into our network. Specifically, the network relies of rigid modules of neurons, where all members have identical grid scale and orientation, but differ in spatial phase. Additionally, these neurons must be densely interconnected with synapses that are modifiable early in the animal’s life. Second, we investigate whether plasticity during short bouts of locomotion could induce patterns of connections amongst grid cells or conjunctive cells. Finally, we run a simulation to test whether the learned connection patterns can exhibit linear look-ahead. Our results are straightforward. A simulated 30-minute walk produces weak strengthening of synapses between grid cells that do not support linear look-ahead. Similar training in a conjunctive-cell module produces a small subset of very strong connections between cells. These strong pairs have three properties: The pre- and post-synaptic cells have similar heading direction. The cell pairs have neighboring grid bumps. Finally, the spatial offset of firing bumps of the cell pair is in the direction of the common heading preference. Such a module can produce strong and accurate linear look ahead starting in any location and extending in any direction. We speculate that this process may: 1. compute linear paths to goals; 2. update grid cell firing during navigation; and 3. stabilize the rigid modules of grid cells and conjunctive cells.

  4. 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.

  5. Optically-driven red blood cell rotor in linearly polarized laser tweezers

    Indian Academy of Sciences (India)

    We have constructed a dual trap optical tweezers set-up around an inverted microscope where both the traps can be independently controlled and manipulated in all the three dimensions. Here we report our observations on rotation of red blood cells (RBCs) in a linearly polarized optical trap. Red blood cells deform and ...

  6. 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.

  7. PCR-based detection of a rare linear DNA in cell culture

    Directory of Open Access Journals (Sweden)

    Saveliev Sergei V.

    2002-01-01

    Full Text Available The described method allows for detection of rare linear DNA fragments generated during genomic deletions. The predicted limit of the detection is one DNA molecule per 107 or more cells. The method is based on anchor PCR and involves gel separation of the linear DNA fragment and chromosomal DNA before amplification. The detailed chemical structure of the ends of the linear DNA can be defined with the use of additional PCR-based protocols. The method was applied to study the short-lived linear DNA generated during programmed genomic deletions in a ciliate. It can be useful in studies of spontaneous DNA deletions in cell culture or for tracking intracellular modifications at the ends of transfected DNA during gene therapy trials.

  8. Effects of graphene quantum dots on linear and nonlinear optical behavior of malignant ovarian cells

    Science.gov (United States)

    Mohajer, Salman; Ara, Mohammad Hossein Majles; Serahatjoo, Leila

    2016-07-01

    We investigate linear and nonlinear optical properties of standard human ovarian cancer cells (cell line: A2780cp) in vitro. Cells were treated by graphene quantum dots (GQDs) with two special concentrations. Nontoxicity of GQDs was examined in standard biological viability tests. Cancerous cells were fixed on a glass slide; then, interaction of light with biofilms was studied in linear and nonlinear regimes. Absorption spectra of untreated biofilms and biofilms with two different concentrations of GQDs was studied by UV-visible spectrophotometer. Optical behavior of biofilms in a linear regime of intensity (with low-intensity laser exposure) was reported using a simple optical setup. After that, we compared the attenuation of light in biofilm of cancerous cells with and without GQDs. Nonlinear behavior of these biofilms was investigated by a Z-scan setup using a continued wave He-Ne laser. Results showed that GQDs decreased the extinction coefficient and changed the sign and exact value of the nonlinear refractive index of malignant ovarian cells noticeably. The nonlinear refractive index of studied cells with no GQDs treatment was in the order of 10-8 (cm2/w) with a positive sign. This quantity changed to the same order of magnitude with a negative sign after GQDs treatment. Thus, GQDs can be used for cancer diagnosis under laser irradiation.

  9. 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.

  10. Single-tube linear DNA amplification for genome-wide studies using a few thousand cells

    NARCIS (Netherlands)

    Shankaranarayanan, P.; Mendoza-Parra, M.A.; Gool, van W.; Trindade, L.M.; Gronemeyer, H.

    2012-01-01

    Linear amplification of DNA (LinDA) by T7 polymerase is a versatile and robust method for generating sufficient amounts of DNA for genome-wide studies with minute amounts of cells. LinDA can be coupled to a great number of global profiling technologies. Indeed, chromatin immunoprecipitation coupled

  11. Non-linear elasticity of extracellular matrices enables contractile cells to communicate local position and orientation.

    Directory of Open Access Journals (Sweden)

    Jessamine P Winer

    2009-07-01

    Full Text Available Most tissue cells grown in sparse cultures on linearly elastic substrates typically display a small, round phenotype on soft substrates and become increasingly spread as the modulus of the substrate increases until their spread area reaches a maximum value. As cell density increases, individual cells retain the same stiffness-dependent differences unless they are very close or in molecular contact. On nonlinear strain-stiffening fibrin gels, the same cell types become maximally spread even when the low strain elastic modulus would predict a round morphology, and cells are influenced by the presence of neighbors hundreds of microns away. Time lapse microscopy reveals that fibroblasts and human mesenchymal stem cells on fibrin deform the substrate by several microns up to five cell lengths away from their plasma membrane through a force limited mechanism. Atomic force microscopy and rheology confirm that these strains locally and globally stiffen the gel, depending on cell density, and this effect leads to long distance cell-cell communication and alignment. Thus cells are acutely responsive to the nonlinear elasticity of their substrates and can manipulate this rheological property to induce patterning.

  12. 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.

  13. Linear fidelity in quantification of anti-viral CD8+ T cells.

    Directory of Open Access Journals (Sweden)

    Inge E A Flesch

    Full Text Available Enumeration of anti-viral CD8(+ T cells to make comparisons between mice, viruses and vaccines is a frequently used approach, but controversy persists as to the most appropriate methods. Use of peptide-MHC tetramers (or variants and intracellular staining for cytokines, in particular IFNγ, after a short ex vivo stimulation are now common, as are a variety of cytotoxicity assays, but few direct comparisons have been made. It has been argued that use of tetramers leads to the counting of non-functional T cells and that measurement of single cytokines will fail to identify cells with alternative functions. Further, the linear range of these methods has not been tested and this is required to give confidence that relative quantifications can be compared across samples. Here we show for two acute virus infections and CD8(+ T cells activated in vitro that DimerX (a tetramer variant and intracellular staining for IFNγ, alone or in combination with CD107 to detect degranulation, gave comparable results at the peak of the response. Importantly, these methods were highly linear over nearly two orders of magnitude. In contrast, in vitro and in vivo assays for cytotoxicity were not linear, suffering from high background killing, plateaus in maximal killing and substantial underestimation of differences in magnitude of responses.

  14. 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

  15. Transient expression of minimum linear gene cassettes in onion epidermal cells via direct transformation.

    Science.gov (United States)

    Cheng, Yun-Qing; Yang, Jun; Xu, Feng-Ping; An, Li-Jia; Liu, Jian-Feng; Chen, Zhi-Wen

    2009-12-01

    A new method without any special devices for direct transformation of linear gene cassettes was developed. Its feasibility was verified through 5'-fluorescent dye (fluorescein isothiocyanate, FITC)-labeled fluorescent tracing and transient expression of a gus reporter gene. Minimal linear gene cassettes, containing necessary regulation elements and a gus reporter gene, was prepared by polymerase chain reaction and dissolved in transformation buffer solution to 100 ng/mL. The basic transformation solution used was Murashige and Skoog basal salt mixture (MS) liquid medium. Hypertonic pretreatment of explants and transformation cofactors, including Ca(2+), surfactant assistants, Agrobacterium LBA4404 cell culture on transformation efficiency were evaluated. Prior to the incubation of the explants and target linear cassette in each designed transformation solution for 3 h, the onion low epidermal explants were pre-cultured in darkness at 27 degrees C for 48 h and then transferred to MS solid media for 72 h. FITC-labeled linear DNA was used to trace the delivery of DNA entry into the cell and the nuclei. By GUS staining and flow-cytometry-mediated fluorescent detection, a significant increase of the ratios of fluorescent nuclei as well as expression of the gus reporter gene was observed by each designed transformation solution. This potent and feasible method showed prospective applications in plant transgenic research.

  16. 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....

  17. 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

  18. 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.

  19. 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...

  20. 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.

  1. 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...

  2. Particle-in-Cell Code BEAMPATH for Beam Dynamics Simulations in Linear Accelerators and Beamlines

    Energy Technology Data Exchange (ETDEWEB)

    Batygin, Y.

    2004-10-28

    A code library BEAMPATH for 2 - dimensional and 3 - dimensional space charge dominated beam dynamics study in linear particle accelerators and beam transport lines is developed. The program is used for particle-in-cell simulation of axial-symmetric, quadrupole-symmetric and z-uniform beams in a channel containing RF gaps, radio-frequency quadrupoles, multipole lenses, solenoids and bending magnets. The programming method includes hierarchical program design using program-independent modules and a flexible combination of modules to provide the most effective version of the structure for every specific case of simulation. Numerical techniques as well as the results of beam dynamics studies are presented.

  3. 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

  4. High linear-energy-transfer radiation can overcome radioresistance of glioma stem-like cells to low linear-energy-transfer radiation.

    Science.gov (United States)

    Hirota, Yuki; Masunaga, Shin-Ichiro; Kondo, Natsuko; Kawabata, Shinji; Hirakawa, Hirokazu; Yajima, Hirohiko; Fujimori, Akira; Ono, Koji; Kuroiwa, Toshihiko; Miyatake, Shin-Ichi

    2014-01-01

    Ionizing radiation is applied as the standard treatment for glioblastoma multiforme (GBM). However, radiotherapy remains merely palliative, not curative, because of the existence of glioma stem cells (GSCs), which are regarded as highly radioresistant to low linear-energy-transfer (LET) photons. Here we analyzed whether or not high-LET particles can overcome the radioresistance of GSCs. Glioma stem-like cells (GSLCs) were induced from the GBM cell line A172 in stem cell culture medium. The phenotypes of GSLCs and wild-type cells were confirmed using stem cell markers. These cells were irradiated with (60)Co gamma rays or reactor neutron beams. Under neutron-beam irradiation, high-LET proton particles can be produced through elastic scattering or nitrogen capture reaction. Radiosensitivity was assessed by a colony-forming assay, and the DNA double-strand breaks (DSBs) were assessed by a histone gamma-H2AX focus detection assay. In stem cell culture medium, GSLCs could form neurosphere-like cells and express neural stem cell markers (Sox2 and Musashi) abundantly in comparison with their parental cells. GSLCs were significantly more radioresistant to gamma rays than their parental cells, but neutron beams overcame this resistance. There were significantly fewer gamma-H2AX foci in the A172 GSLCs 24 h after irradiation with gamma rays than in their parental cultured cells, while there was no apparent difference following neutron-beam irradiation. High-LET radiation can overcome the radioresistance of GSLCs by producing unrepairable DNA DSBs. High-LET radiation therapy might have the potential to overcome GBM's resistance to X-rays in a clinical setting.

  5. Linear identification and model adjustment of a PEM fuel cell stack

    Energy Technology Data Exchange (ETDEWEB)

    Kunusch, C.; Puleston, P.F.; More, J.J. [LEICI, Departamento de Electrotecnia, Universidad Nacional de La Plata, calle 1 esq. 47 s/n, 1900 La Plata (Argentina); Consejo de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Husar, A. [Institut de Robotica i Informatica Industrial (CSIC-UPC), c/ Llorens i Artigas 4-6, 08028 Barcelona (Spain); Mayosky, M.A. [LEICI, Departamento de Electrotecnia, Universidad Nacional de La Plata, calle 1 esq. 47 s/n, 1900 La Plata (Argentina); Comision de Investigaciones Cientificas (CIC), Provincia de Buenos Aires (Argentina)

    2008-07-15

    In the context of fuel cell stack control a mayor challenge is modeling the interdependence of various complex subsystem dynamics. In many cases, the states interaction is usually modeled through several look-up tables, decision blocks and piecewise continuous functions. Many internal variables are inaccessible for measurement and cannot be used in control algorithms. To make significant contributions in this area, it is necessary to develop reliable models for control and design purposes. In this paper, a linear model based on experimental identification of a 7-cell stack was developed. The procedure followed to obtain a linear model of the system consisted in performing spectroscopy tests of four different single-input single-output subsystems. The considered inputs for the tests were the stack current and the cathode oxygen flow rate, while the measured outputs were the stack voltage and the cathode total pressure. The resulting model can be used either for model-based control design or for on-line analysis and errors detection. (author)

  6. Segmentation of white blood cells and comparison of cell morphology by linear and naïve Bayes classifiers.

    Science.gov (United States)

    Prinyakupt, Jaroonrut; Pluempitiwiriyawej, Charnchai

    2015-06-30

    Blood smear microscopic images are routinely investigated by haematologists to diagnose most blood diseases. However, the task is quite tedious and time consuming. An automatic detection and classification of white blood cells within such images can accelerate the process tremendously. In this paper we propose a system to locate white blood cells within microscopic blood smear images, segment them into nucleus and cytoplasm regions, extract suitable features and finally, classify them into five types: basophil, eosinophil, neutrophil, lymphocyte and monocyte. Two sets of blood smear images were used in this study's experiments. Dataset 1, collected from Rangsit University, were normal peripheral blood slides under light microscope with 100× magnification; 555 images with 601 white blood cells were captured by a Nikon DS-Fi2 high-definition color camera and saved in JPG format of size 960 × 1,280 pixels at 15 pixels per 1 μm resolution. In dataset 2, 477 cropped white blood cell images were downloaded from CellaVision.com. They are in JPG format of size 360 × 363 pixels. The resolution is estimated to be 10 pixels per 1 μm. The proposed system comprises a pre-processing step, nucleus segmentation, cell segmentation, feature extraction, feature selection and classification. The main concept of the segmentation algorithm employed uses white blood cell's morphological properties and the calibrated size of a real cell relative to image resolution. The segmentation process combined thresholding, morphological operation and ellipse curve fitting. Consequently, several features were extracted from the segmented nucleus and cytoplasm regions. Prominent features were then chosen by a greedy search algorithm called sequential forward selection. Finally, with a set of selected prominent features, both linear and naïve Bayes classifiers were applied for performance comparison. This system was tested on normal peripheral blood smear slide images from two datasets. Two sets

  7. Intermediate regime and a phase diagram of red blood cell dynamics in a linear flow

    Science.gov (United States)

    Levant, Michael; Steinberg, Victor

    2016-12-01

    In this paper we investigate the in vitro dynamics of a single rabbit red blood cell (RBC) in a planar linear flow as a function of a shear stress σ and the dynamic viscosity of outer fluid ηo. A linear flow is a generalization of previous studies dynamics of soft objects including RBC in shear flow and is realized in the experiment in a microfluidic four-roll mill device. We verify that the RBC stable orientation dynamics is found in the experiment being the in-shear-plane orientation and the RBC dynamics is characterized by observed three RBC dynamical states, namely tumbling (TU), intermediate (INT), and swinging (SW) [or tank-treading (TT)] on a single RBC. The main results of these studies are the following. (i) We completely characterize the RBC dynamical states and reconstruct their phase diagram in the case of the RBC in-shear-plane orientation in a planar linear flow and find it in a good agreement with that obtained in early experiments in a shear flow for human RBCs. (ii) The value of the critical shear stress σc of the TU-TT(SW) transition surprisingly coincides with that found in early experiments in spite of a significant difference in the degree of RBC shape deformations in both the SW and INT states. (iii) We describe the INT regime, which is stationary, characterized by strong RBC shape deformations and observed in a wide range of the shear stresses. We argue that our observations cast doubts on the main claim of the recent numerical simulations that the only RBC spheroidal stress-free shape is capable to explain the early experimental data. Finally, we suggest that the amplitude dependence of both θ and the shape deformation parameter D on σ can be used as the quantitative criterion to determine the RBC stress-free shape.

  8. Cell-free unnatural amino acid incorporation with alternative energy systems and linear expression templates.

    Science.gov (United States)

    Shrestha, Prashanta; Smith, Mark Thomas; Bundy, Bradley Charles

    2014-01-25

    Site-specific incorporation of unnatural amino acids (uAAs) during protein synthesis expands the proteomic code through the addition of unique residue chemistry. This field provides a unique tool to improve pharmacokinetics, cancer treatments, vaccine development, proteomics and protein engineering. The limited ability to predict the characteristics of proteins with uAA-incorporation creates a need for a low-cost system with the potential for rapid screening. Escherichia coli-based cell-free protein synthesis is a compelling platform for uAA incorporation due to the open and accessible nature of the reaction environment. However, typical cell-free systems can be expensive due to the high cost of energizing reagents. By employing alternative energy sources, we reduce the cost of uAA-incorporation in CFPS by 55%. While alternative energy systems reduce cost, the time investment to develop gene libraries can remain cumbersome. Cell-free systems allow the direct use of PCR products known as linear expression templates, thus alleviating tedious plasmid library preparations steps. We report the specific costs of CFPS with uAA incorporation, demonstrate that LETs are suitable expression templates with uAA-incorporation, and consider the substantial reduction in labor intensity using LET-based expression for CFPS uAA incorporation. Copyright © 2013 Elsevier B.V. All rights reserved.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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]....

  15. 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

  16. 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...

  17. Identification of critical residues of linear B cell epitope on Goodpasture autoantigen.

    Directory of Open Access Journals (Sweden)

    Xiao-yu Jia

    Full Text Available The autoantigen of anti-glomerular basement membrane (GBM disease has been identified as the non-collagenous domain 1 of α3 chain of type IV collagen, α3(IVNC1. Our previous study revealed a peptide on α3(IVNC1 as a major linear epitope for B cells and potentially nephrogenic, designated as P14 (α3129-150. This peptide has also been proven to be the epitope of auto-reactive T cells in anti-GBM patients. This study was aimed to further characterize the critical motif of P14.16 patients with anti-GBM disease and positive anti-P14 antibodies were enrolled. A set of truncated and alanine substituted peptides derived from P14 were synthesized. Circulating antibodies against the peptides were detected by enzyme linked immunosorbent assay (ELISA.We found that all sera with anti-P14 antibodies reacted with the 13-mer sequence in the C-terminus of P14 (P14c exclusively. The level of antibodies against P14 was highly correlated with the level of antibodies against P14c (r=0.970, P<0.001. P14c was the core immunogenic region and the amino acid sequence (ISLWKGFSFIMFT was highly hydrophobic. Each amino acid residue in P14c was sequentially replaced by alanine. Three residues of glycine142, phenylalanine143, and phenylalanine145 were identified crucial for antibody binding based on the remarkable decline (P<0.001 of antibody reaction after each residue replacement.We defined GFxF (α3142, 143,145 as the critical motif of P14. It may provide some clues for understanding the etiology of anti-GBM disease.

  18. With respect to coefficient of linear thermal expansion, bacterial vegetative cells and spores resemble plastics and metals, respectively

    Science.gov (United States)

    2013-01-01

    Background If a fixed stress is applied to the three-dimensional z-axis of a solid material, followed by heating, the amount of thermal expansion increases according to a fixed coefficient of thermal expansion. When expansion is plotted against temperature, the transition temperature at which the physical properties of the material change is at the apex of the curve. The composition of a microbial cell depends on the species and condition of the cell; consequently, the rate of thermal expansion and the transition temperature also depend on the species and condition of the cell. We have developed a method for measuring the coefficient of thermal expansion and the transition temperature of cells using a nano thermal analysis system in order to study the physical nature of the cells. Results The tendency was seen that among vegetative cells, the Gram-negative Escherichia coli and Pseudomonas aeruginosa have higher coefficients of linear expansion and lower transition temperatures than the Gram-positive Staphylococcus aureus and Bacillus subtilis. On the other hand, spores, which have low water content, overall showed lower coefficients of linear expansion and higher transition temperatures than vegetative cells. Comparing these trends to non-microbial materials, vegetative cells showed phenomenon similar to plastics and spores showed behaviour similar to metals with regards to the coefficient of liner thermal expansion. Conclusions We show that vegetative cells occur phenomenon of similar to plastics and spores to metals with regard to the coefficient of liner thermal expansion. Cells may be characterized by the coefficient of linear expansion as a physical index; the coefficient of linear expansion may also characterize cells structurally since it relates to volumetric changes, surface area changes, the degree of expansion of water contained within the cell, and the intensity of the internal stress on the cellular membrane. The coefficient of linear expansion holds

  19. With respect to coefficient of linear thermal expansion, bacterial vegetative cells and spores resemble plastics and metals, respectively.

    Science.gov (United States)

    Nakanishi, Koichi; Kogure, Akinori; Fujii, Takenao; Kokawa, Ryohei; Deuchi, Keiji; Kuwana, Ritsuko; Takamatsu, Hiromu

    2013-10-09

    If a fixed stress is applied to the three-dimensional z-axis of a solid material, followed by heating, the amount of thermal expansion increases according to a fixed coefficient of thermal expansion. When expansion is plotted against temperature, the transition temperature at which the physical properties of the material change is at the apex of the curve. The composition of a microbial cell depends on the species and condition of the cell; consequently, the rate of thermal expansion and the transition temperature also depend on the species and condition of the cell. We have developed a method for measuring the coefficient of thermal expansion and the transition temperature of cells using a nano thermal analysis system in order to study the physical nature of the cells. The tendency was seen that among vegetative cells, the Gram-negative Escherichia coli and Pseudomonas aeruginosa have higher coefficients of linear expansion and lower transition temperatures than the Gram-positive Staphylococcus aureus and Bacillus subtilis. On the other hand, spores, which have low water content, overall showed lower coefficients of linear expansion and higher transition temperatures than vegetative cells. Comparing these trends to non-microbial materials, vegetative cells showed phenomenon similar to plastics and spores showed behaviour similar to metals with regards to the coefficient of liner thermal expansion. We show that vegetative cells occur phenomenon of similar to plastics and spores to metals with regard to the coefficient of liner thermal expansion. Cells may be characterized by the coefficient of linear expansion as a physical index; the coefficient of linear expansion may also characterize cells structurally since it relates to volumetric changes, surface area changes, the degree of expansion of water contained within the cell, and the intensity of the internal stress on the cellular membrane. The coefficient of linear expansion holds promise as a new index for

  20. 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.

  1. 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.

  2. 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

  3. 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…

  4. 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.

  5. 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.

  6. 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

  7. 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).

  8. Linear closed mini DNA generated by the prokaryotic cleaving-joining enzyme TelN is functional in mammalian cells.

    Science.gov (United States)

    Heinrich, Jochen; Schultz, Jan; Bosse, Magnus; Ziegelin, Günter; Lanka, Erich; Moelling, Karin

    2002-10-01

    For application of DNA in gene medicine plasmid or viral DNA is usually used as a vector for the gene of interest. To generate DNA with a minimum of foreign DNA sequences, we used the prokaryotic telomerase, protelomerase TelN, of bacteriophage N15. This is a novel enzyme with cleaving-joining activity, which is required for the formation of linear prophage DNA with closed ends in lysogenic bacteria. Acting on a telomere resolution site telRL, the protelomerase converts circular plasmid DNA into linear covalently closed dumbbell-shaped molecules ("doggybones") in a single-step enzyme reaction. Two such sites were inserted into an expression plasmid flanking a gene of interest. This is cleaved and joined by means of the protelomerase, yielding linear closed mini DNA coding for green fluorescent protein (EGFP) or interleukin-12 (IL-12). Upon transient transfection of human embryonal kidney cells, EGFP was expressed at higher levels from linear closed molecules than from linear open molecules generated by restriction endonucleases for comparison. The level of transcription was comparable to that observed for the parental plasmid DNA. To test whether the linear closed mini DNA molecules are functional in vivo the B16F10/C57BL/6 melanoma metastasis model was applied, where injection of IL-12-expressing DNA inhibits metastasis formation in the lung. The anti-metastatic effect of the IL-12-expressing linear closed DNA was equal or higher than that of the parental plasmid DNA. Therefore, the TelN/ telRL system is well suited to generate linear closed mini DNA with high stability and a minimum of foreign nucleotide sequences.

  9. 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.

  10. 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.

  11. The In Vitro Response of Tissue Stem Cells to Irradiation With Different Linear Energy Transfers

    Energy Technology Data Exchange (ETDEWEB)

    Nagle, Peter W.; Hosper, Nynke A. [Department of Cell Biology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Department of Radiation Oncology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Ploeg, Emily M. [Department of Cell Biology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Goethem, Marc-Jan van [Department of Radiation Oncology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); KVI-Center for Advanced Radiation Research, University of Groningen, Groningen (Netherlands); Brandenburg, Sytze [KVI-Center for Advanced Radiation Research, University of Groningen, Groningen (Netherlands); Langendijk, Johannes A. [Department of Radiation Oncology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Chiu, Roland K. [Department of Cell Biology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Department of Radiation Oncology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Coppes, Robert P., E-mail: r.p.coppes@umcg.nl [Department of Cell Biology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands); Department of Radiation Oncology, University of Groningen, University Medical Center Groningen, Groningen (Netherlands)

    2016-05-01

    Purpose: A reduction in the dose, irradiated volume, and sensitivity of, in particular, normal tissue stem cells is needed to advance radiation therapy. This could be obtained with the use of particles for radiation therapy. However, the radiation response of normal tissue stem cells is still an enigma. Therefore, in the present study, we developed a model to investigate the in vitro response of stem cells to particle irradiation. Methods and Materials: We used the immortalized human salivary gland (HSG) cell line resembling salivary gland (SG) cells to translate the radiation response in 2-dimensional (2D) to 3-dimensional (3D) conditions. This response was subsequently translated to the response of SG stem cells (SGSCs). Dispersed single cells were irradiated with photons or carbon ions at different linear energy transfers (LETs; 48.76 ± 2.16, 149.9 ± 10.8, and 189 ± 15 keV/μm). Subsequently, 2D or 3D clonogenicity was determined by counting the colonies or secondary stem cell-derived spheres in Matrigel. γH2AX immunostaining was used to assess DNA double strand break repair. Results: The 2D response of HSG cells showed a similar increase in dose response to increasing higher LET irradiation as other cell lines. The 3D response of HSG cells to increasing LET irradiation was reduced compared with the 2D response. Finally, the response of mouse SGSCs to photons was similar to the 3D response of HSG cells. The response to higher LET irradiation was reduced in the stem cells. Conclusions: Mouse SGSC radiosensitivity seems reduced at higher LET radiation compared with transformed HSG cells. The developed model to assess the radiation response of SGSCs offers novel possibilities to study the radiation response of normal tissue in vitro.

  12. Non-linear two-dimensional model of melt flows and interface instability in aluminum reduction cells

    Science.gov (United States)

    Sun, Haijun; Zikanov, Oleg; Ziegler, Donald P.

    2004-10-01

    We derive a new two-dimensional model for the melt flows and interface instability in aluminum reduction cells. The model is based on the de St. Venant shallow water equations and incorporates the essential features of the system such as the magnetohydrodynamic instability mechanism and non-linear coupling between the flows and interfacial waves. The model is applied to investigate the impact of background melt flows and magnetic field perturbations on the instability.

  13. 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.

  14. 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

  15. 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.

  16. Cardiac muscle cell formation after development of the linear heart tube

    NARCIS (Netherlands)

    Kruithof, Boudewijn P. T.; van den Hoff, Maurice J. B.; Wessels, Andy; Moorman, Antoon F. M.

    2003-01-01

    After the development of the linear heart tube, additional myocardium is formed leading to the muscular mantle around the caval and pulmonary veins and the muscular septa in the embryonic heart. Here, we report the results of our in vivo and in vitro studies of this late myocardium-generating

  17. Estimation of transition doses for human glioblastoma, neuroblastoma and prostate cell lines using the linear-quadratic formalism

    Directory of Open Access Journals (Sweden)

    John Akudugu

    2015-09-01

    Full Text Available Purpose: The introduction of stereotactic radiotherapy has raised concerns regarding the use of the linear-quadratic (LQ model for predicting radiation response for large fractional doses. To partly address this issue, a transition dose D* below which the LQ model retains its predictive strength has been proposed. Estimates of D* which depends on the a, β, and D0 parameters are much lower than fractional doses typically encountered in stereotactic radiotherapy. D0, often referred to as the final slope of the cell survival curve, is thought to be constant. In vitro cell survival curves generally extend over the first few logs of cell killing, where D0-values derived from the multi-target formalism may be overestimated and can lead to low transition doses. Methods:  D0-values were calculated from first principles for each decade of cell killing, using experimentally-determined a and β parameters for 17 human glioblastoma, neuroblastoma, and prostate cell lines, and corresponding transition doses were derived.Results: D0 was found to decrease exponentially with cell killing. Using D0-values at cell surviving fractions of the order of 10-10 yielded transition doses ~3-fold higher than those obtained from D0-values obtained from conventional approaches. D* was found to increase from 7.84 ± 0.56, 8.91 ± 1.20, and 6.55 ± 0.91 Gy to 26.84 ± 2.83, 23.95 ± 2.03, and 22.49 ± 2.31 Gy for the glioblastoma, neuroblastoma, and prostate cell lines, respectively. Conclusion: These findings suggest that the linear-quadratic formalism might be valid for estimating the effect of stereotactic radiotherapy with fractional doses in excess of 20 Gy.

  18. 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)....

  19. 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

  20. Photoelectric properties of ITO/p(+)-p(-)-InP solar cells in linearly polarized light

    NARCIS (Netherlands)

    Botnaryuk, VM; Gorchak, LV; Raevskii, SD; Sherban, DA; Rud, VY; Rud, YV

    Indium phosphide heterostructures and transparent conducting films of wide-gap oxides have previously been used in the development of highly efficient solar cells, making it possible to bring their efficiencies up to 18% [M, M. Koltun, Optics and Metrology of Solar Cells [in Russian], Nauka, Moscow

  1. Optically-driven red blood cell rotor in linearly polarized laser tweezers

    Indian Academy of Sciences (India)

    produces less torque under the radiation pressure resulting in slower rotation at the same laser power. Keywords. Rotation of red blood cell; optical tweezers, dual optical trap. PACS Nos 87.80.Cc; 87.83.+a; 87.80.Fe; 89.20.-a. 1. Introduction. The application of optical tweezers in trapping and manipulating single cells [1].

  2. 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.

  3. On controllability and system constraints of the linear models of proton exchange membrane and solid oxide fuel cells

    Science.gov (United States)

    Radisavljevic, Verica

    2011-10-01

    In this paper we first show that the linear models of proton exchange membrane (polymer electrolyte membrane, PEM) and solid oxide (SO) fuel cells, commonly used in power and energy literature, are not controllable. The source of uncontrollability is the equation for pressure of the water vapor that is only affected by the fuel cell current, which in fact is a disturbance in this system and cannot be controlled by the given model inputs: inlet molar flow rates of hydrogen and oxygen. Being uncontrollable these models are not good candidates for studying control of dynamic processes in PEM and SO fuel cells. However, due to their simplicity, they can be used in hybrid configurations with other energy producing devices such as photovoltaic (solar) cells, wind turbine, micro gas turbine, battery (ultra capacitor) to demonstrate some other phenomena, but not for control purposes unless the hybrid models formed in such hybrid configurations are controllable. Testing controllability of such hybrid models is mandatory. Secondly, we introduce some algebraic constraints that follow from the model dynamics and the Nernst open-loop fuel cell voltage formula. These constraints must be satisfied in simulation of considered fuel cell modes, for example, via MATLAB/Simulink or any other computer software package.

  4. Effects of melanin on high- and low- linear energy transfer (LET) radiation response of human epithelial cells

    Energy Technology Data Exchange (ETDEWEB)

    Grossi, G.F.; Durante, M.; Gialanella, G. [Dipartimento di Scienze Fisiche, Univ. di Napoli and Istituto Nazionale di Fisica Nucleare, Sezione di Napoli (Italy); Pugliese, M. [Servizio di Radioprotezione, Univ. di Napoli (Italy); Mosse, I. [Institute of Genetics and Cytology of Belarus Academy of Sciences, Minsk (Belarus)

    1998-04-01

    The search for effective radioprotectors is of major concern in the medical, military, environmental, and space sciences. Conventional radioprotectors are generally effective only during a single irradiation and display their radioprotective properties only at high, toxic concentrations. In addition, they reduce somatic radiation effects but are poorly efficient in protecting from hereditary stochastic radiation effects. In this respect, the pigment melanin merits attention. Experiments referring to potential melanin effects on the ionising radiation response have been carried out with different biological systems, both in vivo and in vitro. In this paper, we present results on the response to high- and low-linear energy transfer (LET) radiation of a human mammary epithelial cell line, H184B5 F5-1 M/10, supplemented by melanin. The incorporation of auto-oxidative (l-dopa) melanin was linear for concentrations from 3 to 10 {mu}g/ml in the growth medium. Concentrations of up to 250 {mu}g/ml did not significantly impair the cells proliferative ability. No significant protective effect of melanin on the survival of cultured cells after exposure to alpha-particles (130 keV/{mu}m) or x-rays was observed. (orig.) With 2 figs., 3 tabs., 35 refs.

  5. 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.

  6. The dipole wakefield for a rounded damped detuned linear accelerator with optimized cell-to-manifold coupling

    International Nuclear Information System (INIS)

    Jones, R.M.; Miller, R.H.; Li, Z.; Ruth, R.D.; Srinivas, V.; Wang, J.W.; Higo, T.

    1998-09-01

    A redesign of the basic cell configuration of the Damped Detuned Structure has been briefly reported where the cells are referred to as ellipsoidal cavities, and accelerator structures incorporating them are designated DDS5 and DDS6. This new structure type has been renamed RDDS 1, and the first of this series, RDDS 1, is presently under design and fabrication. The carefully sculpted cell profile (fabricated on computer controlled lathes at KEK incorporating diamond point machining) provides a 20% increase in shunt impedance which, when combined with other parameters, allows for a dramatic reduction in the RF power required for the NLC (Next Linear Collider). The detuning profile, damping manifold taper, and the cell to manifold coupling constant profile have all been carefully optimized so as to permit decoupling the cells at the ends of the structure from the manifolds while still adequately minimizing the transverse wake. The decoupling is required in order to fit adequately matched terminations into the structure. The single structure analysis has been supplemented with studies of wake degradation arising from systematic fabrication errors and wake improvement obtained by combining manifold damping with structure interleaving

  7. Non-Linear Relationships between Aflatoxin B1 Levels and the Biological Response of Monkey Kidney Vero Cells

    Directory of Open Access Journals (Sweden)

    Mendel Friedman

    2013-08-01

    Full Text Available Aflatoxin-producing fungi contaminate food and feed during pre-harvest, storage and processing periods. Once consumed, aflatoxins (AFs accumulate in tissues, causing illnesses in animals and humans. Most human exposure to AF seems to be a result of consumption of contaminated plant and animal products. The policy of blending and dilution of grain containing higher levels of aflatoxins with uncontaminated grains for use in animal feed implicitly assumes that the deleterious effects of low levels of the toxins are linearly correlated to concentration. This assumption may not be justified, since it involves extrapolation of these nontoxic levels in feed, which are not of further concern. To develop a better understanding of the significance of low dose effects, in the present study, we developed quantitative methods for the detection of biologically active aflatoxin B1 (AFB1 in Vero cells by two independent assays: the green fluorescent protein (GFP assay, as a measure of protein synthesis by the cells, and the microculture tetrazolium (MTT assay, as a measure of cell viability. The results demonstrate a non-linear dose-response relationship at the cellular level. AFB1 at low concentrations has an opposite biological effect to higher doses that inhibit protein synthesis. Additional studies showed that heat does not affect the stability of AFB1 in milk and that the Vero cell model can be used to determine the presence of bioactive AFB1 in spiked beef, lamb and turkey meat. The implication of the results for the cumulative effects of low amounts of AFB1 in numerous foods is discussed.

  8. Constant post-irradiation repopulation rates and linear relationship between cellular blood response and number of transplanted bone marrow cells in inbread mice

    International Nuclear Information System (INIS)

    Petersen, B.H.

    1977-01-01

    Graded doses of syngeneic bone marrow cells were transplanted into lethally irradiated mice. Repopulation curves of peripheral blood granulocytes and platelets were apparently exponential and parallel after doses larger than 5 x 10 5 cells. The blood platelet sub(d) was reduced from 111 h to 53-57 h, and granulocyte Tsub(d) from 57 to 40 h in transplanted groups. The mean blood cell counts were reproducible to be used as a biological assay of the amount of bone marrow cells transplanted. Linear relationship between increment of blood cells up to day 16 and number of bone marrow cells transplanted on day 1 was demonstrated (1,200 granulocytes and 14,300 platelets/μl blood per 10 5 bone marrow cells). The linearity suggested a mean Tsub(d) < 22.5 h of proliferating bone marrow cells, and allowed a rough estimation of mouse bone marrow stem cell radiosensitivity (Dsub(o) 76 rad). (author)

  9. Non-linear model reduction and control of molten carbonate fuel cell systems with internal reforming

    Energy Technology Data Exchange (ETDEWEB)

    Sheng, Min

    2007-10-12

    Currently, the process design of fuel cells and the development of control strategies is mainly based on heuristic methods. Fuel cell models are often too complex for control purposes, or they are developed for a specific type of fuel cell and valid only in a small range of operation conditions. The application of fuel cell models to controller design is still limited. Furthermore, suitable and simple-to-implement design strategies for fuel cell control remain an open area. There is thus a motivation for simplifying dynamic models for process control applications and for designing suitable control strategies for fuel cells. This is the main objective of this work. As an application example, the 250 kW industrial molten carbonate fuel cell (MCFC) system HotModule by MTU CFC Solutions, Germany is considered. A detailed dynamic two-dimensional spatially distributed cross-flow model of a MCFC from literature is taken as a starting point for the investigation. In Chapter 2, two simplified model versions are derived by incorporating additional physical assumptions. One of the simplified models is extended to a three-dimensional stack model to deal with physical and chemical phenomena in the stack. Simulations of the stack model are performed in Chapter 3 in order to calculate the mass and temperature distributions in the direction perpendicular to the electrode area. The other simplified model forms the basis for a low order reduced model that is derived in Chapter 4. The reduced-order model is constructed by application of the Karhunen-Loeve Galerkin method. The spatial temperature, concentration and potential profiles are approximated by a set of orthogonal time independent spatial basis functions. Problem specific basis functions are generated numerically from simulation data of the detailed reference model. The advantage of this approach is that a small number of basis functions suffices in order to approximate the solution of the detailed model very well. The

  10. UV-induced chromatid aberrations in two cell linear of Chinese hamster with different repair activity

    International Nuclear Information System (INIS)

    Ikushima, Takaji

    1978-01-01

    To elucidate the mechanism of chromosomal aberration formation, the yield and type of chromosomal aberrations induced by ultraviolet light (UV) irradiation were compared in cultured Chinese hamster cells with different repair activity. After irradiation of low fluences of UV, chromatid aberrations were produced more frequently in one cell line with impaired repair activity, B14FAF than the other showing normal DNA repair replication, CHO. There were no difference in the spectrum of the aberration types between the two. The results imply that impaired excision repair of UV-induced pyrimidine dimers or other photoproducts results in higher yield of chromosomal aberrations, and suggest the involvement of DNA repair processes in chromosomal aberration formation. (author)

  11. Small gold nanoparticles presenting linear and looped Cilengitide analogues as radiosensitizers of cells expressing ανβ3 integrin

    Science.gov (United States)

    Travis, Adam R.; Liau, Virginia A.; Agrawal, Amanda C.; Cliffel, David E.

    2017-11-01

    This work uses linear and looped RGDfV sequences attached to the surface of small (1.8 nm in diameter) gold nanoparticles (AuNPs) to enhance the radiosensitizating effects of Cilengitide, a cyclic RGDf ( NMe)V pentapeptide that targets αvβ3 integrin which is overexpressed in certain cancers. Following synthesis and purification, the AuNPs were evaluated in vitro against HUVEC, H460, and MCF7 cells in clonogenic assays using a 137Cs irradiator. Untargeted AuNPs induced no significant dose enhancement factors (DEFs) in any of the cell types when compared to radiation treatment alone, whereas all evaluated AuNPs functionalized with targeting peptides performed at least as well as controls (irradiation after Cilengitide treatment). The observed DEFs also suggest that cyclizing the linear peptides into more spatially constrained, looped structures may facilitate target binding. These greater dose enhancements merit future in vivo studies of drug-AuNP conjugates to assess the ability of the nanostructures to provide an improved therapeutic benefit over treatment with drug candidates and radiation alone. [Figure not available: see fulltext.

  12. No Evidence for a Low Linear Energy Transfer Adaptive Response in Irradiated RKO Cells

    Energy Technology Data Exchange (ETDEWEB)

    Sowa, Marianne B.; Goetz, Wilfried; Baulch, Janet E.; Lewis, Adam J.; Morgan, William F.

    2011-01-06

    It has become increasingly evident from reports in the literature that there are many confounding factors that are capable of modulating radiation induced non-targeted responses such as the bystander effect and the adaptive response. In this paper we examine recent data that suggest that the observation of non-targeted responses may not be universally observable for differing radiation qualities. We have conducted a study of the adaptive response following low LET exposures for human colon carcinoma cells and failed to observe adaption for the endpoints of clonogenic survival or micronucleus formation.

  13. 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.

  14. 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.

  15. 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.

  16. Our Expedition in Linear Neutral Platinum-Acetylide Complexes: The Preparation of Micro/nanostructure Materials, Complicated Topologies, and Dye-Sensitized Solar Cells.

    Science.gov (United States)

    Xu, Lin; Yang, Hai-Bo

    2016-06-01

    During the past few decades, the construction of various kinds of platinum-acetylide complexes has attracted considerable attention, because of their wide applications in photovoltaic cells, non-linear optics, and bio-imaging materials. Among these platinum-acetylide complexes, the linear neutral platinum-acetylide complexes, due to their attractive properties, such as well-defined linear geometry, synthetic accessibility, and intriguing photoproperties, have emerged as a rising star in this field. In this personal account, we will discuss how we entered the field of linear neutral platinum-acetylide chemistry and what we found in this field. The preparation of various types of linear neutral platinum-acetylide complexes and their applications in the areas of micro/nanostructure materials, complicated topologies, and dye-sensitized solar cells will be summarized in this account. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Development of a relativistic Particle In Cell code PARTDYN for linear accelerator beam transport

    Science.gov (United States)

    Phadte, D.; Patidar, C. B.; Pal, M. K.

    2017-04-01

    A relativistic Particle In Cell (PIC) code PARTDYN is developed for the beam dynamics simulation of z-continuous and bunched beams. The code is implemented in MATLAB using its MEX functionality which allows both ease of development as well higher performance similar to a compiled language like C. The beam dynamics calculations carried out by the code are compared with analytical results and with other well developed codes like PARMELA and BEAMPATH. The effect of finite number of simulation particles on the emittance growth of intense beams has been studied. Corrections to the RF cavity field expressions were incorporated in the code so that the fields could be calculated correctly. The deviations of the beam dynamics results between PARTDYN and BEAMPATH for a cavity driven in zero-mode have been discussed. The beam dynamics studies of the Low Energy Beam Transport (LEBT) using PARTDYN have been presented.

  18. 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.

  19. 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.

  20. 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 ...

  1. Identification of linear B-cell epitopes on goose parvovirus non-structural protein.

    Science.gov (United States)

    Yu, Tian-Fei; Ma, Bo; Wang, Jun-Wei

    2016-10-15

    Goose parvovirus (GPV) infection can cause a highly contagious and lethal disease in goslings and muscovy ducklings which is widespread in all major goose (Anser anser) and Muscovy duck (Cairina moschata) farming countries, leading to a huge economic loss. Humoral immune responses play a major role in GPV immune protection during GPV infection. However, it is still unknown for the localization and immunological characteristics of B-cell epitopes on GPV non-structural protein (NSP). Therefore, in this study, the epitopes on the NSP of GPV were identified by means of overlapping peptides expressed in Escherichia coli in combination with Western blot. The results showed that the antigenic epitopes on the GPV NSP were predominantly localized in the C-terminal (aa 485-627), and especially, the fragment NS (498-532) was strongly positive. These results may facilitate future investigations on the function of NSP of GPV and the development of immunoassays for the diagnosis of GPV infection. Copyright © 2016. Published by Elsevier B.V.

  2. Protecting effects specifically from low doses of ionizing radiation to mammalian cells challenge the concept of linearity

    Energy Technology Data Exchange (ETDEWEB)

    Feinendegen, L.E. [Brookhaven National Lab., Upton, NY (United States). Medical Dept.; Bond, V.P. [Washington State Univ., Richland, WA (United States); Sondhaus, C.A. [Univ. of Arizona, Tucson, AZ (United States). Dept. of Radiology and Radiation Control Office; Altman, K.I. [Univ. of Rochester Medical Center, NY (United States). Dept. of Biochemistry and Biophysics

    1998-12-31

    This report examines the origin of tissue effects that may follow from different cellular responses to low-dose irradiation, using published data. Two principal categories of cellular responses are considered. One response category relates to the probability of radiation-induced DNA damage. The other category consists of low-dose induced changes in intracellular signaling that induce mechanisms of DNA damage control different from those operating at high levels of exposure. Modeled in this way, tissue is treated as a complex adaptive system. The interaction of the various cellular responses results in a net tissue dose-effect relation that is likely to deviate from linearity in the low-dose region. This suggests that the LNT hypothesis should be reexamined. The aim of this paper is to demonstrate that by use of microdosimetric concepts, the energy deposited in cell mass can be related to the occurrence of cellular responses, both damaging and defensive.

  3. Protecting effects specifically from low doses of ionizing radiation to mammalian cells challenge the concept of linearity

    International Nuclear Information System (INIS)

    Feinendegen, L.E.; Sondhaus, C.A.; Altman, K.I.

    1998-01-01

    This report examines the origin of tissue effects that may follow from different cellular responses to low-dose irradiation, using published data. Two principal categories of cellular responses are considered. One response category relates to the probability of radiation-induced DNA damage. The other category consists of low-dose induced changes in intracellular signaling that induce mechanisms of DNA damage control different from those operating at high levels of exposure. Modeled in this way, tissue is treated as a complex adaptive system. The interaction of the various cellular responses results in a net tissue dose-effect relation that is likely to deviate from linearity in the low-dose region. This suggests that the LNT hypothesis should be reexamined. The aim of this paper is to demonstrate that by use of microdosimetric concepts, the energy deposited in cell mass can be related to the occurrence of cellular responses, both damaging and defensive

  4. Classifying the Progression of Ductal Carcinoma from Single-Cell Sampled Data via Integer Linear Programming: A Case Study.

    Science.gov (United States)

    Catanzaro, Daniele; Shackney, Stanley E; Schaffer, Alejandro A; Schwartz, Russell

    2016-01-01

    Ductal Carcinoma In Situ (DCIS) is a precursor lesion of Invasive Ductal Carcinoma (IDC) of the breast. Investigating its temporal progression could provide fundamental new insights for the development of better diagnostic tools to predict which cases of DCIS will progress to IDC. We investigate the problem of reconstructing a plausible progression from single-cell sampled data of an individual with synchronous DCIS and IDC. Specifically, by using a number of assumptions derived from the observation of cellular atypia occurring in IDC, we design a possible predictive model using integer linear programming (ILP). Computational experiments carried out on a preexisting data set of 13 patients with simultaneous DCIS and IDC show that the corresponding predicted progression models are classifiable into categories having specific evolutionary characteristics. The approach provides new insights into mechanisms of clonal progression in breast cancers and helps illustrate the power of the ILP approach for similar problems in reconstructing tumor evolution scenarios under complex sets of constraints.

  5. Pancreatic beta cell function increases in a linear dose-response manner following exercise training in adults with prediabetes

    DEFF Research Database (Denmark)

    Malin, Steven K; Solomon, Thomas; Blaszczak, Alecia

    2013-01-01

    intervention (5d/wk for 60min at ~85% HRmax). Insulin and C-peptide (n=23) responses to an OGTT were used to define the first and second phase disposition index (DI; beta-cell function = glucose-stimulated insulin secretion x clamp-derived insulin sensitivity). Maximum oxygen consumption (VO2max) and body...... composition (dual-energy x-ray absorptiometry and computed tomography) were also measured before and after the intervention. Exercise dose was computed using VO2-heart rate derived linear-regression equations. Subjects expended 474.5±8.8 kcal/session (2372.5±44.1 kcal/week) during the intervention, and lost...

  6. 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

  7. Identification of a Highly Antigenic Linear B Cell Epitope within Plasmodium vivax Apical Membrane Antigen 1 (AMA-1)

    Science.gov (United States)

    Bueno, Lilian Lacerda; Lobo, Francisco Pereira; Morais, Cristiane Guimarães; Mourão, Luíza Carvalho; de Ávila, Ricardo Andrez Machado; Soares, Irene Silva; Fontes, Cor Jesus; Lacerda, Marcus Vinícius; Olórtegui, Carlos Chavez; Bartholomeu, Daniella Castanheira; Fujiwara, Ricardo Toshio; Braga, Érika Martins

    2011-01-01

    Apical membrane antigen 1 (AMA-1) is considered to be a major candidate antigen for a malaria vaccine. Previous immunoepidemiological studies of naturally acquired immunity to Plasmodium vivax AMA-1 (PvAMA-1) have shown a higher prevalence of specific antibodies to domain II (DII) of AMA-1. In the present study, we confirmed that specific antibody responses from naturally infected individuals were highly reactive to both full-length AMA-1 and DII. Also, we demonstrated a strong association between AMA-1 and DII IgG and IgG subclass responses. We analyzed the primary sequence of PvAMA-1 for B cell linear epitopes co-occurring with intrinsically unstructured/disordered regions (IURs). The B cell epitope comprising the amino acid sequence 290–307 of PvAMA-1 (SASDQPTQYEEEMTDYQK), with the highest prediction scores, was identified in domain II and further selected for chemical synthesis and immunological testing. The antigenicity of the synthetic peptide was identified by serological analysis using sera from P. vivax-infected individuals who were knowingly reactive to the PvAMA-1 ectodomain only, domain II only, or reactive to both antigens. Although the synthetic peptide was recognized by all serum samples specific to domain II, serum with reactivity only to the full-length protein presented 58.3% positivity. Moreover, IgG reactivity against PvAMA-1 and domain II after depletion of specific synthetic peptide antibodies was reduced by 18% and 33% (P = 0.0001 for both), respectively. These results suggest that the linear epitope SASDQPTQYEEEMTDYQK is highly antigenic during natural human infections and is an important antigenic region of the domain II of PvAMA-1, suggesting its possible future use in pre-clinical studies. PMID:21713006

  8. 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.

  9. Induction of reproductive cell death in Caenorhabditis elegans across entire linear-energy-transfer range of carbon-ion irradiation.

    Science.gov (United States)

    Chen, Liangwen; Tang, Huangqi; Du, Yan; Dai, Zhangyu; Wang, Ting; Wu, Lijun; Zhou, Libin; Bian, Po

    2018-03-01

    Heavy-ion radiation has attracted extensive attention as an effective cancer therapy because of the varying energy deposition along its track and its high cell-killing effect. Reproductive cell death (RCD), also known as clonogenic death, is an important mode of death of the cancer cells after radiotherapy. Although RCD induced by heavy-ion irradiation with various linear energy transfers has been demonstrated using clonogenic assay in vitro, little is known about the distribution of RCD across the range of heavy-ion irradiation at the level of whole organisms. In this study, a vulval tissue model of Caenorhabditis elegans was for the first time used to assess RCD in vivo induced by carbon-ion irradiation. A polymethyl methacrylate wedge was designed to provide a gradually varying thickness of shielding, so worms could be exposed to the entire range of carbon-ion irradiation. The carbon-ion irradiation led to a significant induction of RCD over the entire range in a dose-dependent manner. The biological peak did not correspond to the physical Bragg peak and moved forward, rather than spread forward, as radiation dose increased. The degree and shape of the range-distribution of RCD were also affected by the developmental stages of the worms. The gene mutations in DNA-damage checkpoints did not affect the responses of mutant worms positioned in biological peaks, compared to wild-type worms, but decreased radio-sensitivity in the entrance region. An increased induction of RCD was observed in the worms impaired in homologous recombination (HR), but not in non-homologous end jointing pathway, suggesting a crucial role of HR repair in vulval cells of C. elegans in dealing with the carbon-ion-induced DNA damage. These unique manifestations of RCD in vivo in response to carbon-ion irradiation might provide new clues for further investigating the biological effects of heavy-ion irradiation. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. 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

  11. 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.)

  12. 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...

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. 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 =

  18. 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....

  19. 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...

  20. 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

  1. 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

  2. Improving sensitivity of linear regression-based cell type-specific differential expression deconvolution with per-gene vs. global significance threshold.

    Science.gov (United States)

    Glass, Edmund R; Dozmorov, Mikhail G

    2016-10-06

    The goal of many human disease-oriented studies is to detect molecular mechanisms different between healthy controls and patients. Yet, commonly used gene expression measurements from blood samples suffer from variability of cell composition. This variability hinders the detection of differentially expressed genes and is often ignored. Combined with cell counts, heterogeneous gene expression may provide deeper insights into the gene expression differences on the cell type-specific level. Published computational methods use linear regression to estimate cell type-specific differential expression, and a global cutoff to judge significance, such as False Discovery Rate (FDR). Yet, they do not consider many artifacts hidden in high-dimensional gene expression data that may negatively affect linear regression. In this paper we quantify the parameter space affecting the performance of linear regression (sensitivity of cell type-specific differential expression detection) on a per-gene basis. We evaluated the effect of sample sizes, cell type-specific proportion variability, and mean squared error on sensitivity of cell type-specific differential expression detection using linear regression. Each parameter affected variability of cell type-specific expression estimates and, subsequently, the sensitivity of differential expression detection. We provide the R package, LRCDE, which performs linear regression-based cell type-specific differential expression (deconvolution) detection on a gene-by-gene basis. Accounting for variability around cell type-specific gene expression estimates, it computes per-gene t-statistics of differential detection, p-values, t-statistic-based sensitivity, group-specific mean squared error, and several gene-specific diagnostic metrics. The sensitivity of linear regression-based cell type-specific differential expression detection differed for each gene as a function of mean squared error, per group sample sizes, and variability of the proportions

  3. Carbon ions of different linear energy transfer (LET) values induce apoptosis & G2 cell cycle arrest in radio-resistant melanoma cells.

    Science.gov (United States)

    Jelena, Žakula; Lela, Korićanac; Otilija, Keta; Danijela, Todorović; Cirrone Giuseppe, A P; Francesco, Romano; Giacomo, Cuttone; Ivan, Petrović; Aleksandra, Ristić-Fira

    2016-05-01

    The main goal when treating malignancies with radiation is to deprive tumour cells of their reproductive potential. One approach is to induce tumour cell apoptosis. This study was conducted to evaluate the ability of carbon ions ( [12] C) to induce apoptosis and cell cycle arrest in human HTB140 melanoma cells. In this in vitro study, human melanoma HTB140 cells were irradiated with the 62 MeV/n carbon ( [12] C) ion beam, having two different linear energy transfer (LET) values: 197 and 382 keV/μm. The dose range was 2 to 16 Gy. Cell viability was estimated by the sulforhodamine B assay seven days after irradiation. The cell cycle and apoptosis were evaluated 48 h after irradiation using flow cytometry. At the same time point, protein and gene expression of apoptotic regulators were estimated using the Western blot and q-PCR methods, respectively. Cell viability experiments indicated strong anti-tumour effects of [12] C ions. The analysis of cell cycle showed that [12] C ions blocked HTB140 cells in G2 phase and induced the dose dependent increase of apoptosis. The maximum value of 21.8 per cent was attained after irradiation with LET of 197 keV/μm at the dose level of 16 Gy. Pro-apoptotic effects of [12] C ions were confirmed by changes of key apoptotic molecules: the p53, Bax, Bcl-2, poly ADP ribose polymerase (PARP) as well as nuclear factor kappa B (NFκB). At the level of protein expression, the results indicated significant increases of p53, NFκB and Bax/Bcl-2 ratio and PARP cleavage. The Bax/Bcl-2 mRNA ratio was also increased, while no change was detected in the level of NFκB mRNA. The present results indicated that anti-tumour effects of [12] C ions in human melanoma HTB140 cells were accomplished through induction of the mitochondrial apoptotic pathway as well as G2 arrest.

  4. Initial cord blood unit volume affects mononuclear cell and CD34+ cell-processing efficiency in a non-linear fashion.

    Science.gov (United States)

    Meyer-Monard, Sandrine; Tichelli, André; Troeger, Carolyn; Arber, Caroline; de Faveri, Grazia Nicoloso; Gratwohl, Alois; Roosnek, Eddy; Surbek, Daniel; Chalandon, Yves; Irion, Olivier; Castelli, Damiano; Passweg, Jakob; Kindler, Vincent

    2012-02-01

    Umbilical cord blood (UCB) is a source of hematopoietic stem cells that initially was used exclusively for the hematopoietic reconstitution of pediatric patients. It is now suggested for use for adults as well, a fact that increases the pressure to obtain units with high cellularity. Therefore, the optimization of UCB processing is a priority. The present study focused on parameters influencing total nucleated cell (TNC), mononucleated cell (MNC) and CD34+ cell (CD34C) recovery after routine volume reduction of 1553 UCB units using hydroxyethyl starch-induced sedimentation with an automated device, under routine laboratory conditions. We show that the unit volume rather than the TNC count significantly affects TNC, MNC and CD34C processing efficiency (PEf), and this in a non-linear fashion: when units were sampled according to the collection volume, including pre-loaded anticoagulant (gross volume), PEf increased up to a unit volume of 110-150 mL and decreased thereafter. Thus units with initial gross volumes 170 mL similarly exhibited a poor PEf. These data identify unit gross volume as a major parameter influencing PEf and suggest that fractionation of large units should be contemplated only when the resulting volume of split units is > 90 mL.

  5. Identification of B cell recognized linear epitopes in a snake venom serine proteinase from the central American bushmaster Lachesis stenophrys.

    Science.gov (United States)

    Madrigal, M; Alape-Girón, A; Barboza-Arguedas, E; Aguilar-Ulloa, W; Flores-Díaz, M

    2017-12-15

    Snake venom serine proteinases are toxins that perturb hemostasis acting on proteins from the blood coagulation cascade, the fibrinolytic or the kallikrein-kinin system. Despite the relevance of these enzymes in envenomations by viper bites, the characterization of the antibody response to these toxins at the molecular level has not been previously addressed. In this work surface-located B cell recognized linear epitopes from a Lachesis stenophrys venom serine proteinase (UniProt accession number Q072L7) were predicted using an artificial neuronal network at the ABCpred server, the corresponding peptides were synthesized and their immunoreactivity was analyzed against a panel of experimental and therapeutic antivenoms. A molecular model of the L. stenophrys enzyme was built using as a template the structure of the D. acutus Dav-PA serine proteinase (Q9I8X1), which displays the highest degree of sequence similarity to the L. stenophrys enzyme among proteins of known 3D structure, and the surface-located epitopes were identified in the protein model using iCn3D. A total of 13 peptides corresponding to the surface exposed predicted epitopes from L. stenophrys serine proteinase were synthesized and, their reactivity with a rabbit antiserum against the recombinant enzyme and a panel of antivenoms was evaluated by a capture ELISA. Some of the epitopes recognized by monospecific and polyspecific antivenoms comprise sequences overlapping motifs conserved in viper venom serine proteinases. The identification and characterization of relevant epitopes recognized by B cells in snake venom toxins may provide valuable information for the preparation of immunogens that help in the production of improved therapeutic antivenoms. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. 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.

  7. 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.

  8. 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)

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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.

  1. 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...

  2. 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...

  3. Fast time-domain modeling of fluid-coupled cMUT cells: from the single cell to the 1-D linear array element.

    Science.gov (United States)

    Sénégond, Nicolas; Boulmé, Audren; Plag, Camille; Teston, Franck; Certon, Dominique

    2013-07-01

    We report a fast time-domain model of fluid-coupled cMUTs developed to predict the transient response-i.e., the impulse pressure response--of an element of a linear 1-D array. Mechanical equations of the cMUT diaphragm are solved with 2-D finite-difference schemes. The time-domain solving method is a fourth--order Runge-Kutta algorithm. The model takes into account the electrostatic nonlinearity and the contact with the bottom electrode when the membrane is collapsed. Mutual acoustic coupling between cells is introduced through the numerical implementation of analytical solutions of the impulse diffraction theory established in the case of acoustic sources with rectangular geometry. Processing times are very short: they vary from a few minutes for a single cell to a maximum of 30 min for one element of an array. After a description of the model, the impact of the nonlinearity and the pull-in/pull-out phenomena on the dynamic behavior of the cMUT diaphragm is discussed. Experimental results of mechanical displacements obtained by interferometric measurements and the acoustic pressure field are compared with simulations. Different excitation signals-high-frequency bandwidth pulses and toneburst excitations of varying central frequency-were chosen to compare theory with experimental results.

  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. Identification of a conserved linear B-cell epitope in the M protein of porcine epidemic diarrhea virus

    Directory of Open Access Journals (Sweden)

    Zhang Zhibang

    2012-10-01

    Full Text Available Abstract Background The major structural protein of coronaviruses, the membrane (M protein, can elicit the formation of protective antibodies, but little information is available about the M protein of porcine epidemic diarrhea virus (PEDV. Identification of epitopes on the PEDV M protein will be helpful in the elucidation of the antigenic properties of this protein. Results One hybridoma cell line secreting anti-M protein monoclonal antibody (McAb was generated and designated 4D4. To map the epitopes on the PEDV M protein, a total of 17 partially overlapping fragments covering the C-terminus of M protein were expressed as fusion proteins with a 6×His tag or a GST tag. A linear motif, 193TGWAFYVR200, was identified by enzyme-linked immunosorbent assay (ELISA and western blot (WB analysis using McAb 4D4. The motif 195WAFYVR200 was the minimal requirement for reactivity, as demonstrated by removing amino acids individually from both ends of the motif 193TGWAFYVR200. The result of WB analysis showed that the 4D4-defined epitope could be recognized by PEDV-positive serum, but not transmissible gastroenteritis virus (TGEV-positive serum. Furthermore, this epitope was highly conserved among different PEDV strains, as shown by alignment and comparison of sequences. Conclusion A McAb, 4D4, directed against the M protein of PEDV, was obtained, and the 4D4-defined minimal epitope sequence was 195WAFYVR200. The McAb could serve as a candidate for development of a McAb-based antigen capture ELISA for detection of PEDV. The epitope identified provides a basis for the development of epitope-based differential diagnostic techniques and may be useful in the design of epitope-based vaccines.

  7. 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...

  8. 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.

  9. Analyses of genetic relationships between linear type traits, fat-to-protein ratio, milk production traits, and somatic cell count in first-parity Czech Holstein cows

    DEFF Research Database (Denmark)

    Zink, V; Zavadilová, L; Lassen, Jan

    2014-01-01

    percentage per the standard first lactation. Fifteen classified linear type traits were added, as they were measured at first lactation in the Czech Holstein population. All phenotypic data were collected within the progeny testing program of the Czech-Moravian Breeders Corporation from 2005 to 2009...... and protein yield. In total, 27 098 somatic cell score records were available. The strongest positive genetic correlation between production traits and linear type traits was estimated between udder width and fat yield (0.51 ± 0.04), while the strongest negative correlation estimated was between body...

  10. 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

  11. 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...

  12. 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.

  13. 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.

  14. 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.

  15. The Heat Resistance of Microbial Cells Represented by D Values Can be Estimated by the Transition Temperature and the Coefficient of Linear Expansion.

    Science.gov (United States)

    Nakanishi, Koichi; Kogure, Akinori; Deuchi, Keiji; Kuwana, Ritsuko; Takamatsu, Hiromu; Ito, Kiyoshi

    2015-01-01

    We previously developed a method for evaluating the heat resistance of microorganisms by measuring the transition temperature at which the coefficient of linear expansion of a cell changes. Here, we performed heat resistance measurements using a scanning probe microscope with a nano thermal analysis system. The microorganisms studied included six strains of the genus Bacillus or related genera, one strain each of the thermophilic obligate anaerobic bacterial genera Thermoanaerobacter and Moorella, two strains of heat-resistant mold, two strains of non-sporulating bacteria, and one strain of yeast. Both vegetative cells and spores were evaluated. The transition temperature at which the coefficient of linear expansion due to heating changed from a positive value to a negative value correlated strongly with the heat resistance of the microorganism as estimated from the D value. The microorganisms with greater heat resistance exhibited higher transition temperatures. There was also a strong negative correlation between the coefficient of linear expansion and heat resistance in bacteria and yeast, such that microorganisms with greater heat resistance showed lower coefficients of linear expansion. These findings suggest that our method could be useful for evaluating the heat resistance of microorganisms.

  16. Positive detection of exfoliated colon cancer cells on linear stapler cartridges was associated with depth of tumor invasion and preoperative bowel preparation in colon cancer.

    Science.gov (United States)

    Ikehara, Kishiko; Endo, Shungo; Kumamoto, Kensuke; Hidaka, Eiji; Ishida, Fumio; Tanaka, Jun-Ichi; Kudo, Shin-Ei

    2016-08-31

    The aim of this study was to investigate exfoliated cancer cells (ECCs) on linear stapler cartridges used for anastomotic sites in colon cancer. We prospectively analyzed ECCs on linear stapler cartridges used for anastomosis in 100 colon cancer patients who underwent colectomy. Having completed the functional end-to-end anastomosis, the linear stapler cartridges were irrigated with saline, which was collected for cytological examination and cytological diagnoses were made by board-certified pathologists based on Papanicolaou staining. The detection rate of ECCs on the linear stapler cartridges was 20 %. Positive detection of ECCs was significantly associated with depth of tumor invasion (p = 0.012) and preoperative bowel preparation (p = 0.003). There were no marked differences between ECC-positive and ECC-negative groups in terms of the operation methods, tumor location, histopathological classification, and surgical margins. Since ECCs were identified on the cartridge of the linear stapler used for anastomosis, preoperative mechanical bowel preparation using polyethylene glycol solution and cleansing at anastomotic sites using tumoricidal agents before anastomosis may be necessary to decrease ECCs in advanced colon cancer.

  17. Fluorescence emission spectra of calcofluor stained yeast cell suspensions: heuristic assessment of basis spectra for their linear unmixing.

    Science.gov (United States)

    Plášek, Jaromír; Dostál, Marek; Gášková, Dana

    2012-07-01

    Fluorescence emission spectra of yeast cell suspensions stained with calcofluor have recently been identified as promising markers of variations in the quality of yeast cell wall. It is shown in this paper how the raw fluorescence spectra of calcofluor can be transformed to reliable spectral signatures of cell wall quality, which are independent of actual dye-to-cell concentrations of examined cell suspensions. Moreover, the presented approach makes it possible to assess basis fluorescence spectra that allows for the spectral unmixing of raw fluorescence spectra in terms of respective fluorescence contributions of calcofluor solvated in the suspension medium and bound to yeast cell walls.

  18. 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

  19. 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.

  20. 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...

  1. 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

  2. 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.

  3. 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.

  4. 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...

  5. 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

  6. Double-Stranded Linear Duck Hepatitis B Virus (DHBV) Stably Integrates at a Higher Frequency than Wild-Type DHBV in LMH Chicken Hepatoma Cells

    Science.gov (United States)

    Gong, Shih S.; Jensen, Anne D.; Chang, C. J.; Rogler, Charles E.

    1999-01-01

    Integration of hepadnavirus DNAs into host chromosomes can have oncogenic consequences. Analysis of host-viral DNA junctions of DHBV identified the terminally duplicated r region of the viral genome as a hotspot for integration. Since the r region is present on the 5′ and 3′ ends of double-stranded linear (DSL) hepadnavirus DNAs, these molecules have been implicated as integration precursors. We have produced a LMH chicken hepatoma cell line (LMH 66-1 DSL) which replicates exclusively DSL duck hepatitis B virus (DHBV) DNA. To test whether linear DHBV DNAs integrate more frequently than the wild type open circular DHBV DNAs, we have characterized the integration frequency in LMH 66-1 DSL cells by using a subcloning approach. This approach revealed that 83% of the LMH 66-1 DSL subclones contained new integrations, compared to only 16% of subclones from LMH-D2 cells replicating wild-type open circular DHBV DNA. Also, a higher percentage of the LMH 66-1 DSL subclones contained two or more new integrations. Mathematical analysis suggests that the DSL DHBV DNAs integrated stably once every three generations during subcloning whereas wild-type DHBV integrated only once every four to five generations. Cloning and sequencing of new integrations confirmed the r region as a preferred integration site for linear DHBV DNA molecules. One DHBV integrant was associated with a small deletion of chromosomal DNA, and another DHBV integrant occurred in a telomeric repeat sequence. PMID:9882355

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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...

  15. Ion-temperature-gradient driven modes in pinch configurations within a linear gyrokinetic particle-in-cell simulation of ions and electrons

    Science.gov (United States)

    Sorge, Stefan; Hatzky, Roman

    2002-11-01

    The influence of trapped electrons on ion-temperature-gradient driven plasma instabilities is investigated in the bumpy pinch configuration as a simplified model of the Wendelstein 7-X stellarator. For these investigations a gyrokinetic global linear particle-in-cell simulation of the plasma ions and electrons was done with the GYrokinetic Global Linear Equation Solver (GYGLES) code (Fivaz M et al 1998 Comp. Phys. Comm. 111 27, Hatzky R and Fivaz M 1998 Proc. EPS 25th Conf. on Controlled Fusion and Plasma Physics (Prague, 1998) (Petit-Lancy: European Physical Society) p 1804). For this purpose, the code was modified by replacing the adiabatic response of the electrons with a gyrokinetic treatment. The growth rates of the modes considered were found to increase owing to the trapped electrons and the gradient of the electron temperature. However, the effect is small in relation to that of trapped electrons in typical tokamak configurations.

  16. Star-shaped and linear π-conjugated oligomers consisting of a tetrathienoanthracene core and multiple diketopyrrolopyrrole arms for organic solar cells

    Directory of Open Access Journals (Sweden)

    Hideaki Komiyama

    2016-07-01

    Full Text Available Solution-processable star-shaped and linear π-conjugated oligomers consisting of an electron-donating tetrathienoanthracene (TTA core and electron-accepting diketopyrrolopyrrole (DPP arms, namely, TTA-DPP4 and TTA-DPP2, were designed and synthesized. Based on density functional theory calculations, the star-shaped TTA-DPP4 has a larger oscillator strength than the linear TTA-DPP2, and consequently, better photoabsorption property over a wide range of visible wavelengths. The photovoltaic properties of organic solar cells based on TTA-DPP4 and TTA-DPP2 with a fullerene derivative were evaluated by varying the thickness of the bulk heterojunction active layer. As a result of the enhanced visible absorption properties of the star-shaped π-conjugated structure, better photovoltaic performances were obtained with relatively thin active layers (40–60 nm.

  17. 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.

  18. 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...

  19. Biophysical and biological properties of small linear peptides derived from crotamine, a cationic antimicrobial/antitumoral toxin with cell penetrating and cargo delivery abilities.

    Science.gov (United States)

    Dal Mas, C; Pinheiro, D A; Campeiro, J D; Mattei, B; Oliveira, V; Oliveira, E B; Miranda, A; Perez, K R; Hayashi, M A F

    2017-12-01

    Crotamine is a natural polypeptide from snake venom which delivers nucleic acid molecules into cells, besides having pronounced affinity for negatively charged membranes and antifungal activity. We previously demonstrated that crotamine derived short linear peptides were not very effective as antifungal, although the non-structured recombinant crotamine was overridingly more potent compared to the native structured crotamine. Aiming to identify the features necessary for the antifungal activity of crotamine, two linear short peptides, each comprising half of the total positively charged amino acid residues of the full-length crotamine were evaluated here to show that these linear peptides keep the ability to interact with lipid membrane model systems with different phospholipid compositions, even after forming complexes with DNA. Interestingly, the presence of cysteine residues in the structure of these linear peptides highly influenced the antifungal activity, which was not associated to the lipid membrane lytic activity. In addition to the importance of the positive charges, the crucial role of cysteine residues was noticed for these linear analogs of crotamine, although the tridimensional structure and lipid membrane lytic activity observed only for native crotamine was not essential for the antifungal activity. As these peptides still keep the ability to form complexes with DNA molecules with no prejudice to their ability to bind to lipid membranes, they may be potentially advantageous as membrane translocation vector, as they do not show lipid membrane lytic activity and may harbor or not antifungal activity, by keeping or not the semi-essential amino acid cysteine in their sequence. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Anaplasma marginale major surface protein 2 CD4+-T-cell epitopes are evenly distributed in conserved and hypervariable regions (HVR), whereas linear B-cell epitopes are predominantly located in the HVR.

    Science.gov (United States)

    Abbott, Jeffrey R; Palmer, Guy H; Howard, Chris J; Hope, Jayne C; Brown, Wendy C

    2004-12-01

    Organisms in the genus Anaplasma express an immunodominant major surface protein 2 (MSP2), composed of a central hypervariable region (HVR) flanked by highly conserved regions. Throughout Anaplasma marginale infection, recombination results in the sequential appearance of novel MSP2 variants and subsequent control of rickettsemia by the immune response, leading to persistent infection. To determine whether immune evasion and selection for variant organisms is associated with a predominant response against HVR epitopes, T-cell and linear B-cell epitopes were localized by measuring peripheral blood gamma interferon-secreting cells, proliferation, and antibody binding to 27 overlapping peptides spanning MSP2 in 16 cattle. Similar numbers of MSP2-specific CD4(+) T-cell epitopes eliciting responses of similar magnitude were found in conserved and hypervariable regions. T-cell epitope clusters recognized by the majority of animals were identified in the HVR (amino acids [aa] 171 to 229) and conserved regions (aa 101 to 170 and 272 to 361). In contrast, linear B-cell epitopes were concentrated in the HVR, residing within hydrophilic sequences. The pattern of recognition of epitope clusters by T cells and of HVR epitopes by B cells is consistent with the influence of protein structure on epitope recognition.

  1. 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

  2. A new formalism for modelling parameters α and β of the linear-quadratic model of cell survival for hadron therapy

    Science.gov (United States)

    Vassiliev, Oleg N.; Grosshans, David R.; Mohan, Radhe

    2017-10-01

    We propose a new formalism for calculating parameters α and β of the linear-quadratic model of cell survival. This formalism, primarily intended for calculating relative biological effectiveness (RBE) for treatment planning in hadron therapy, is based on a recently proposed microdosimetric revision of the single-target multi-hit model. The main advantage of our formalism is that it reliably produces α and β that have correct general properties with respect to their dependence on physical properties of the beam, including the asymptotic behavior for very low and high linear energy transfer (LET) beams. For example, in the case of monoenergetic beams, our formalism predicts that, as a function of LET, (a) α has a maximum and (b) the α/β ratio increases monotonically with increasing LET. No prior models reviewed in this study predict both properties (a) and (b) correctly, and therefore, these prior models are valid only within a limited LET range. We first present our formalism in a general form, for polyenergetic beams. A significant new result in this general case is that parameter β is represented as an average over the joint distribution of energies E 1 and E 2 of two particles in the beam. This result is consistent with the role of the quadratic term in the linear-quadratic model. It accounts for the two-track mechanism of cell kill, in which two particles, one after another, damage the same site in the cell nucleus. We then present simplified versions of the formalism, and discuss predicted properties of α and β. Finally, to demonstrate consistency of our formalism with experimental data, we apply it to fit two sets of experimental data: (1) α for heavy ions, covering a broad range of LETs, and (2) β for protons. In both cases, good agreement is achieved.

  3. Characteristics of myeloid differentiation and maturation pathway derived from human hematopoietic stem cells exposed to different linear energy transfer radiation types.

    Science.gov (United States)

    Monzen, Satoru; Yoshino, Hironori; Kasai-Eguchi, Kiyomi; Kashiwakura, Ikuo

    2013-01-01

    Exposure of hematopoietic stem/progenitor cells (HSPCs) to ionizing radiation causes a marked suppression of mature functional blood cell production in a linear energy transfer (LET)- and/or dose-dependent manner. However, little information about LET effects on the proliferation and differentiation of HSPCs has been reported. With the aim of characterizing the effects of different types of LET radiations on human myeloid hematopoiesis, in vitro hematopoiesis in Human CD34(+) cells exposed to carbon-ion beams or X-rays was compared. Highly purified CD34(+) cells exposed to each form of radiation were plated onto semi-solid culture for a myeloid progenitor assay. The surviving fractions of total myeloid progenitors, colony-forming cells (CFC), exposed to carbon-ion beams were significantly lower than of those exposed to X-rays, indicating that CFCs are more sensitive to carbon-ion beams (D(0) = 0.65) than to X-rays (D(0) = 1.07). Similar sensitivities were observed in granulocyte-macrophage and erythroid progenitors, respectively. However, the sensitivities of mixed-type progenitors to both radiation types were similar. In liquid culture for 14 days, no significant difference in total numbers of mononuclear cells was observed between non-irradiated control culture and cells exposed to 0.5 Gy X-rays, whereas 0.5 Gy carbon-ion beams suppressed cell proliferation to 4.9% of the control, a level similar to that for cells exposed to 1.5 Gy X-rays. Cell surface antigens associated with terminal maturation, such as CD13, CD14, and CD15, on harvest from the culture of X-ray-exposed cells were almost the same as those from the non-irradiated control culture. X-rays increased the CD235a(+) erythroid-related fraction, whereas carbon-ion beams increased the CD34(+)CD38(-) primitive cell fraction and the CD13(+)CD14(+/-)CD15(-) fraction. These results suggest that carbon-ion beams inflict severe damage on the clonal growth of myeloid HSPCs, although the intensity of cell surface

  4. 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

  5. Identification of two linear B-cell epitopes from West Nile virus NS1 by screening a phage-displayed random peptide library

    Directory of Open Access Journals (Sweden)

    Qin Yong-Li

    2011-07-01

    Full Text Available Abstract Background The West Nile virus (WNV nonstructural protein 1 (NS1 is an important antigenic protein that elicits protective antibody responses in animals and can be used for the serological diagnosis of WNV infection. Although previous work has demonstrated the vital role of WNV NS1-specific antibody responses, the specific epitopes in the NS1 have not been identified. Results The present study describes the identification of two linear B-cell epitopes in WNV NS1 through screening a phage-displayed random 12-mer peptide library with two monoclonal antibodies (mAbs 3C7 and 4D1 that directed against the NS1. The mAbs 3C7 and 4D1 recognized phages displaying peptides with the consensus motifs LTATTEK and VVDGPETKEC, respectively. Exact sequences of both motifs were found in the NS1 (895LTATTEK901 and 925VVDGPETKEC934. Further identification of the displayed B cell epitopes were conducted using a set of truncated peptides expressed as MBP fusion proteins. The data indicated that 896TATTEK901 and925VVDGPETKEC934 are minimal determinants of the linear B cell epitopes recognized by the mAbs 3C7 and 4D1, respectively. Antibodies present in the serum of WNV-positive horses recognized the minimal linear epitopes in Western blot analysis, indicating that the two peptides are antigenic in horses during infection. Furthermore, we found that the epitope recognized by 3C7 is conserved only among WNV strains, whereas the epitope recognized by 4D1 is a common motif shared among WNV and other members of Japanese encephalitis virus (JEV serocomplex. Conclusions We identified TATTEK and VVDGPETKEC as NS1-specific linear B-cell epitopes recognized by the mAbs 3C7 and 4D1, respectively. The knowledge and reagents generated in this study may have potential applications in differential diagnosis and the development of epitope-based marker vaccines against WNV and other viruses of JEV serocomplex.

  6. Non-linearity of dose-effect relationship at low level exposure on the example of cytogenetic effects in plant cells

    International Nuclear Information System (INIS)

    Oudalova, A.A.; Geras'kin, S.A.; Dikarev, V.G.; Dikareva, N.S.; Chernonog, E.V.

    2007-01-01

    Complete text of publication follows. There has been an increasing concern in the current scientific society and among the public about the need to protect the environment in order to maintain the ecosystem sustainability and future well-being of man. The linear non-threshold (LNT) hypothesis as the most officially acknowledged concept of biological effect of radiation fails to explain many facts on effects at low level exposures (LLE) accumulated lately. Available information on the dose-effect relationship at low doses is scarce and incomplete for non-human species despite the fact that, under conditions of increased radiation exposure, some biota species occur at a risk of higher impact than humans because of differences in ecological niches occupied. Dose-effect relationships for cytogenetic damage in the range of LLE are studied in a series os experiments with plant (Hordeum vulgare L.) meristem cells. Dose-effect dependences obtained show an obvious non-linear behavior in the LLE region. A piecewise linear model (PLM) for dose-cytogenetic effect relationship that considers an existence of dose-independent part at LLE ('plateau') is developed and specified on the data obtained. An advantage of the PLM over linear model in approximating the frequency of cytogenetic disturbances is demonstrated. From an empirical probability distribution analysis, it is shown that the increase in cytogenetic damage level is tightly connected with changes in a process of absorbed energy distribution between target volumes in terms of fraction of cells experienced a radiation hit event. An appropriateness of the LNT hypothesis to the description of cytogenetic disturbances yield in plant meristem cells in the LLE region is discussed. The results support a conclusion about indirect mechanism of mutagenesis induced by low doses. New data obtained concern a perception of fundamental mechanisms governing cell response to LLE. These findings are of general biological interest, since

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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...

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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...

  18. 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...

  19. 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.

  20. 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.

  1. An efficient synthesis of linear β-(1→6)-galactan oligosaccharides related to plant cell wall glycans

    DEFF Research Database (Denmark)

    Andersen, Mathias Christian Franch; Arentoft, Camilla Anna Søholt; Boos, Irene

    2017-01-01

    Galactans are linear structures mainly found in arabinogalactan glycans and RG-I side chains. As a follow-up to our work on both β-(1→3)-linked and β-(1→4)-linked galactans, we herein report a convergent synthesis of β-(1→6)-galactan using our previously synthesized 4,6-benzylidene protected...... disaccharide as a key building block. However, the regioselective reductive opening of the 4,6-benzylidene protected disaccharide turned out to become more challenging as the length of the oligosaccharide increased and a second differential protected disaccharide building block carrying a chloroacetyl group...... on the 6-position was used to elongate the chain in a more efficient way....

  2. 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.

  3. 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'

  4. On the stimulated Raman sidescattering in inhomogeneous plasmas: revisit of linear theory and three-dimensional particle-in-cell simulations

    Science.gov (United States)

    Xiao, C. Z.; Zhuo, H. B.; Yin, Y.; Liu, Z. J.; Zheng, C. Y.; Zhao, Y.; He, X. T.

    2018-02-01

    Stimulated Raman sidescattering (SRSS) in inhomogeneous plasma is comprehensively revisited on both theoretical and numerical aspects due to the increasing concern of its detriments to inertial confinement fusion. Firstly, two linear mechanisms of finite beam width and collisional effects that could suppress SRSS are investigated theoretically. Thresholds for the eigenmode and wave packet in a finite-width beam are derived as a supplement to the theory proposed by Mostrom and Kaufman (1979 Phys. Rev. Lett. 42 644). Collisional absorption of SRSS is efficient at high-density plasma and high-Z material, otherwise, it allows emission of sidescattering. Secondly, we have performed the first three-dimensional particle-in-cell simulations in the context of SRSS to investigate its linear and nonlinear effects. Simulation results are qualitatively agreed with the linear theory. SRSS with the maximum growth gain is excited at various densities, grows to an amplitude that is comparable with the pump laser, and evolutes to lower densities with a large angle of emergence. Competitions between SRSS and other parametric instabilities such as stimulated Raman backscattering, two-plasmon decay, and stimulated Brillouin scattering are discussed. These interaction processes are determined by gains, occurrence sites, scattering geometries of each instability, and will affect subsequent evolutions. Nonlinear effects of self-focusing and azimuthal magnetic field generation are observed to be accompanied with SRSS. In addition, it is found that SRSS is insensitive to ion motion, collision (low-Z material), and electron temperature.

  5. CD8(+) T cells of Listeria monocytogenes-infected mice recognize both linear and spliced proteasome products

    NARCIS (Netherlands)

    Platteel, Anouk C M; Mishto, Michele; Textoris-Taube, Kathrin; Keller, Christin; Liepe, Juliane; Busch, Dirk H; Kloetzel, Peter M; Sijts, Alice J A M

    CD8(+) T cells responding to infection recognize pathogen-derived epitopes presented by MHC class-I molecules. While most of such epitopes are generated by proteasome-mediated antigen cleavage, analysis of tumor antigen processing has revealed that epitopes may also derive from proteasome-catalyzed

  6. Linear-after-the-exponential polymerase chain reaction and allied technologies. Real-time detection strategies for rapid, reliable diagnosis from single cells.

    Science.gov (United States)

    Pierce, Kenneth E; Wangh, Lawrence J

    2007-01-01

    Accurate detection of gene sequences in single cells is the ultimate challenge to polymerase chain reaction (PCR) sensitivity. Unfortunately, commonly used conventional and real-time PCR techniques are often too unreliable at that level to provide the accuracy needed for clinical diagnosis. Here we provide details of linear-after-the-exponential-PCR (LATE-PCR), a method similar to asymmetric PCR in the use of primers at different concentrations, but with novel design criteria to ensure high efficiency and specificity. Compared with conventional PCR, LATE-PCR increases the signal strength and allele discrimination capability of oligonucleotide probes such as molecular beacons and reduces variability among replicate samples. The analysis of real-time kinetics of LATE-PCR signals provides a means for improving the accuracy of single cell genetic diagnosis.

  7. 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…

  8. 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....

  9. 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 ...

  10. 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

  11. The B7-1 cytoplasmic tail enhances intracellular transport and mammalian cell surface display of chimeric proteins in the absence of a linear ER export motif.

    Directory of Open Access Journals (Sweden)

    Yi-Chieh Lin

    Full Text Available Membrane-tethered proteins (mammalian surface display are increasingly being used for novel therapeutic and biotechnology applications. Maximizing surface expression of chimeric proteins on mammalian cells is important for these applications. We show that the cytoplasmic domain from the B7-1 antigen, a commonly used element for mammalian surface display, can enhance the intracellular transport and surface display of chimeric proteins in a Sar1 and Rab1 dependent fashion. However, mutational, alanine scanning and deletion analysis demonstrate the absence of linear ER export motifs in the B7 cytoplasmic domain. Rather, efficient intracellular transport correlated with the presence of predicted secondary structure in the cytoplasmic tail. Examination of the cytoplasmic domains of 984 human and 782 mouse type I transmembrane proteins revealed that many previously identified ER export motifs are rarely found in the cytoplasmic tail of type I transmembrane proteins. Our results suggest that efficient intracellular transport of B7 chimeric proteins is associated with the structure rather than to the presence of a linear ER export motif in the cytoplasmic tail, and indicate that short (less than ~ 10-20 amino acids and unstructured cytoplasmic tails should be avoided to express high levels of chimeric proteins on mammalian cells.

  12. 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

  13. The cell wall galactomannan antigen from Malassezia furfur and Malassezia pachydermatis contains beta-1,6-linked linear galactofuranosyl residues and its detection has diagnostic potential.

    Science.gov (United States)

    Shibata, Nobuyuki; Saitoh, Tomomi; Tadokoro, Yukari; Okawa, Yoshio

    2009-10-01

    Lipophilic yeasts of the genus Malassezia are associated with several skin diseases, such as pityriasis versicolor, Malassezia folliculitis, seborrhoeic dermatitis and atopic dermatitis, and are also increasingly associated with catheter-related fungaemia. The cell wall components of pathogenic micro-organisms behave as an antigen and/or ligand of the innate immune response. Live cells of Malassezia furfur and Malassezia pachydermatis did not react with an anti-alpha-1,2-mannoside antibody. However, they showed a strong hydrophobicity and reactivity with an anti-beta-1,3-glucan antibody compared to those of C. albicans. The cell wall polysaccharides of M. furfur and M. pachydermatis were isolated and their structures analysed by (1)H and (13)C NMR experiments. Both polysaccharides were shown to be beta-1,6-linked linear galactofuranosyl polymers with a small amount of mannan. The presence of galactomannan on cells of Malassezia species has not been described previously. The galactomannan did not react with an anti-Aspergillus fumigatus monoclonal antibody which has specificity for beta-1,5-linked galactofuranosyl residues. An anti-M. furfur antibody strongly reacted with the galactomannans of M. furfur and M. pachydermatis, but did not react with the galactomannans of Trichophyton rubrum, A. fumigatus or Fonsecaea pedrosoi. The characteristics of the anti-M. furfur antibody suggest that there is potential for diagnosis of Malassezia infections by antigen detection.

  14. Multiple electron injection dynamics in linearly-linked two dye co-sensitized nanocrystalline metal oxide electrodes for dye-sensitized solar cells.

    Science.gov (United States)

    Shen, Qing; Ogomi, Yuhei; Park, Byung-wook; Inoue, Takafumi; Pandey, Shyam S; Miyamoto, Akari; Fujita, Shinsuke; Katayama, Kenji; Toyoda, Taro; Hayase, Shuzi

    2012-04-07

    Understanding the electron transfer dynamics at the interface between dye sensitizer and semiconductor nanoparticle is very important for both a fundamental study and development of dye-sensitized solar cells (DSCs), which are a potential candidate for next generation solar cells. In this study, we have characterized the ultrafast photoexcited electron dynamics in a newly produced linearly-linked two dye co-sensitized solar cell using both a transient absorption (TA) and an improved transient grating (TG) technique, in which tin(IV) 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (NcSn) and cis-diisothiocyanato-bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II) bis(tetrabutylammonium) (N719) are molecularly and linearly linked and are bonded to the surface of a nanocrystalline tin dioxide (SnO(2)) electrode by a metal-O-metal linkage (i.e. SnO(2)-NcSn-N719). By comparing the TA and TG kinetics of NcSn, N719, and hybrid NcSn-N719 molecules adsorbed onto both of the SnO(2) and zirconium dioxide (ZrO(2)) nanocrystalline films, the forward and backward electron transfer dynamics in SnO(2)-NcSn-N719 were clarified. We found that there are two pathways for electron injection from the linearly-linked two dye molecules (NcSn-N719) to SnO(2). The first is a stepwise electron injection, in which photoexcited electrons first transfer from N719 to NcSn with a transfer time of 0.95 ps and then transfer from NcSn to the conduction band (CB) of SnO(2) with two timescales of 1.6 ps and 4.2 ps. The second is direct photoexcited electron transfer from N719 to the CB of SnO(2) with a timescale of 20-30 ps. On the other hand, back electron transfer from SnO(2) to NcSn is on a timescale of about 2 ns, which is about three orders of magnitude slower compared to the forward electron transfer from NcSn to SnO(2). The back electron transfer from NcSn to N719 is on a timescale of about 40 ps, which is about one order slower compared to the forward electron transfer from N719 to Nc

  15. LUBAC-Recruited CYLD and A20 Regulate Gene Activation and Cell Death by Exerting Opposing Effects on Linear Ubiquitin in Signaling Complexes

    Directory of Open Access Journals (Sweden)

    Peter Draber

    2015-12-01

    Full Text Available Ubiquitination and deubiquitination are crucial for assembly and disassembly of signaling complexes. LUBAC-generated linear (M1 ubiquitin is important for signaling via various immune receptors. We show here that the deubiquitinases CYLD and A20, but not OTULIN, are recruited to the TNFR1- and NOD2-associated signaling complexes (TNF-RSC and NOD2-SC, at which they cooperate to limit gene activation. Whereas CYLD recruitment depends on its interaction with LUBAC, but not on LUBAC’s M1-chain-forming capacity, A20 recruitment requires this activity. Intriguingly, CYLD and A20 exert opposing effects on M1 chain stability in the TNF-RSC and NOD2-SC. While CYLD cleaves M1 chains, and thereby sensitizes cells to TNF-induced death, A20 binding to them prevents their removal and, consequently, inhibits cell death. Thus, CYLD and A20 cooperatively restrict gene activation and regulate cell death via their respective activities on M1 chains. Hence, the interplay between LUBAC, M1-ubiquitin, CYLD, and A20 is central for physiological signaling through innate immune receptors.

  16. Site-specific integration of CAR gene into Jurkat T cells with a linear close-ended AAV-based DNA vector for CAR-T engineering.

    Science.gov (United States)

    Zhang, Yun; Liu, Xiaomei; Zhang, Jinju; Zhang, Chun

    2016-09-01

    To develop a site-specific integration strategy for CAR-T engineering by using a non-viral vector dependent on adeno-associated viral (AAV) genome, which tends to be integrated into AAVS1 site with the help of its Rep proteins. AAV-dependent vectors were produced in Sf9 cells. Structural analyses revealed the vector as covalently close-ended, linear duplex molecules, which was termed "CELiD" DNA. A plasmid CMV-Rep was constructed to express the integrases Rep78 and Rep68. Jurkat cells were co-electroporated with "CELiD" DNA and plasmid CMV-Rep in order to specifically integrate CAR gene into AAVS1 site. We examined 71 stably transfected Jurkat clones by nested PCR, sequencing and southern blotting, of which 30 clones bore CAR gene within AAVS1 site. The site-specific integration efficiency was nearly 42.2 %. The AAV-dependent vector preferentially integrated CAR into AAVS1 site, which could be further used in human T cell modification and enhance the security of CAR-T therapy.

  17. Non-Linearity of dose-effect relationship on the example of cytogenetic effects in plant cells at low level exposure to ionising radiation

    International Nuclear Information System (INIS)

    Oudalova, Alla; Geras'kin, Stanislav; Dikarev, Vladimir; Dikareva, Nina; Chernonog, Elena; Copplestone, David; Evseeva, Tatyana

    2006-01-01

    Over several decades, modelling the effects of ionizing radiation on biological system has relied on the target principle [Timofeeff-Ressovsky et al., 1935], which assumes that cell damage or modification to genes appear as a direct consequence of the exposure of biological macromolecules to charged particles. Furthermore, it is assumed that there is no threshold for the induction of biological damage and that the effects observed are proportional to the energy absorbed. Following this principle, the average number of hits per target should increase linearly with dose, and the yield of mutations per unit of dose is assumed to be the same at both low and high doses (linearity of response). This principle has served as the scientific background for the linear no-threshold (LNT) concept that forms the basis for the radiological protection for the public and the environment [ICRP, 1990]. It follows from the LNT that there is an additional risk for human health from exposure to any radiation level, even below natural background. Since the mid 50's, however, the scientific basis for the LNT concept has been challenged as experimental data have shown that, at low doses, there was a non linear relationship in the dose response. Luchnik and Timofeeff-Ressovsky were the first who showed a non-linear response to a low dose exposure [Luchnik, 1957; Timofeeff-Ressovsky and Luchnik, 1960]. Since then, many data have been accumulated which contradict the LNT model at low doses and dose rates. However, the hit-effect paradigm has become such a strong and indissoluble fact that it has persisted even under the growing pressure of scientific evidence for phenomena at low dose exposure that can not be successfully accounted for by the LNT concept. In recent years, additional information on non-targeted effects of radiation has been accumulated following the first reports of an adaptive response in human lymphocytes [Olivieri et al., 1984] as well as bystander mutagenic effect of alpha

  18. Non-Linearity of dose-effect relationship on the example of cytogenetic effects in plant cells at low level exposure to ionising radiation

    Energy Technology Data Exchange (ETDEWEB)

    Oudalova, Alla; Geras' kin, Stanislav; Dikarev, Vladimir; Dikareva, Nina; Chernonog, Elena [Russian Institute of Agricultural Radiology and Agroecology, RIARAE, 249032 Obninsk (Russian Federation); Copplestone, David [Environment Agency, Millbank Tower, 25th. Floor, 21/24 Millbank, London, SW1P 4XL (United Kingdom); Evseeva, Tatyana [Institute of Biology, Kommunisticheskaya st., 28 Syktyvkar 167610, Komi Republic (Russian Federation)

    2006-07-01

    Over several decades, modelling the effects of ionizing radiation on biological system has relied on the target principle [Timofeeff-Ressovsky et al., 1935], which assumes that cell damage or modification to genes appear as a direct consequence of the exposure of biological macromolecules to charged particles. Furthermore, it is assumed that there is no threshold for the induction of biological damage and that the effects observed are proportional to the energy absorbed. Following this principle, the average number of hits per target should increase linearly with dose, and the yield of mutations per unit of dose is assumed to be the same at both low and high doses (linearity of response). This principle has served as the scientific background for the linear no-threshold (LNT) concept that forms the basis for the radiological protection for the public and the environment [ICRP, 1990]. It follows from the LNT that there is an additional risk for human health from exposure to any radiation level, even below natural background. Since the mid 50's, however, the scientific basis for the LNT concept has been challenged as experimental data have shown that, at low doses, there was a non linear relationship in the dose response. Luchnik and Timofeeff-Ressovsky were the first who showed a non-linear response to a low dose exposure [Luchnik, 1957; Timofeeff-Ressovsky and Luchnik, 1960]. Since then, many data have been accumulated which contradict the LNT model at low doses and dose rates. However, the hit-effect paradigm has become such a strong and indissoluble fact that it has persisted even under the growing pressure of scientific evidence for phenomena at low dose exposure that can not be successfully accounted for by the LNT concept. In recent years, additional information on non-targeted effects of radiation has been accumulated following the first reports of an adaptive response in human lymphocytes [Olivieri et al., 1984] as well as bystander mutagenic effect of

  19. Principle component analysis and linear discriminant analysis of multi-spectral autofluorescence imaging data for differentiating basal cell carcinoma and healthy skin

    Science.gov (United States)

    Chernomyrdin, Nikita V.; Zaytsev, Kirill I.; Lesnichaya, Anastasiya D.; Kudrin, Konstantin G.; Cherkasova, Olga P.; Kurlov, Vladimir N.; Shikunova, Irina A.; Perchik, Alexei V.; Yurchenko, Stanislav O.; Reshetov, Igor V.

    2016-09-01

    In present paper, an ability to differentiate basal cell carcinoma (BCC) and healthy skin by combining multi-spectral autofluorescence imaging, principle component analysis (PCA), and linear discriminant analysis (LDA) has been demonstrated. For this purpose, the experimental setup, which includes excitation and detection branches, has been assembled. The excitation branch utilizes a mercury arc lamp equipped with a 365-nm narrow-linewidth excitation filter, a beam homogenizer, and a mechanical chopper. The detection branch employs a set of bandpass filters with the central wavelength of spectral transparency of λ = 400, 450, 500, and 550 nm, and a digital camera. The setup has been used to study three samples of freshly excised BCC. PCA and LDA have been implemented to analyze the data of multi-spectral fluorescence imaging. Observed results of this pilot study highlight the advantages of proposed imaging technique for skin cancer diagnosis.

  20. Effect of conductance linearity and multi-level cell characteristics of TaOx-based synapse device on pattern recognition accuracy of neuromorphic system

    Science.gov (United States)

    Sung, Changhyuck; Lim, Seokjae; Kim, Hyungjun; Kim, Taesu; Moon, Kibong; Song, Jeonghwan; Kim, Jae-Joon; Hwang, Hyunsang

    2018-03-01

    To improve the classification accuracy of an image data set (CIFAR-10) by using analog input voltage, synapse devices with excellent conductance linearity (CL) and multi-level cell (MLC) characteristics are required. We analyze the CL and MLC characteristics of TaOx-based filamentary resistive random access memory (RRAM) to implement the synapse device in neural network hardware. Our findings show that the number of oxygen vacancies in the filament constriction region of the RRAM directly controls the CL and MLC characteristics. By adopting a Ta electrode (instead of Ti) and the hot-forming step, we could form a dense conductive filament. As a result, a wide range of conductance levels with CL is achieved and significantly improved image classification accuracy is confirmed.

  1. Analytical and numerical analysis of charge carriers extracted by linearly increasing voltage in a metal-insulator-semiconductor structure relevant to bulk heterojunction organic solar cells

    Science.gov (United States)

    Yumnam, Nivedita; Hirwa, Hippolyte; Wagner, Veit

    2017-12-01

    Analysis of charge extraction by linearly increasing voltage is conducted on metal-insulator-semiconductor capacitors in a structure relevant to organic solar cells. For this analysis, an analytical model is developed and is used to determine the conductivity of the active layer. Numerical simulations of the transient current were performed as a way to confirm the applicability of our analytical model and other analytical models existing in the literature. Our analysis is applied to poly(3-hexylthiophene)(P3HT) : phenyl-C61-butyric acid methyl ester (PCBM) which allows to determine the electron and hole mobility independently. A combination of experimental data analysis and numerical simulations reveals the effect of trap states on the transient current and where this contribution is crucial for data analysis.

  2. Structures and short linear motif of disordered transcription factor regions provide clues to the interactome of the cellular hub radical-induced cell death1

    DEFF Research Database (Denmark)

    O'Shea, Charlotte; Staby, Lasse; Bendsen, Sidsel Krogh

    2017-01-01

    Intrinsically disordered protein regions (IDRs) lack a well-defined three-dimensional structure, but often facilitate key protein functions. Some interactions between IDRs and folded protein domains rely on short linear motifs (SLiMs). These motifs are challenging to identify, but once found can...... point to larger networks of interactions, such as with proteins that serve as hubs for essential cellular functions. The stress-associated plant protein Radical-Induced Cell Death1 (RCD1) is one such hub, interacting with many transcription factors via their flexible IDRs. To identify the SLiM bound...... by RCD1, we analyzed the IDRs in three protein partners - DREB2A, ANAC013, and ANAC046 - considering parameters such as disorder, context, charges, and pI. Using a combined bioinformatics and experimental approach, we have identified the bipartite RCD1-binding SLiM as [DE]-x(1,2)-[YF]-x(1,4)-[DE...

  3. Identification of linear B-cell epitopes on myotoxin II, a Lys49 phospholipase A₂ homologue from Bothrops asper snake venom.

    Science.gov (United States)

    Lomonte, Bruno

    2012-10-01

    Knowledge on toxin immunogenicity at the molecular level can provide valuable information for the improvement of antivenoms, as well as for understanding toxin structure-function relationships. The aims of this study are two-fold: first, to identify the linear B-cell epitopes of myotoxin II from Bothrops asper snake venom, a Lys49 phospholipase A₂ homologue; and second, to use antibodies specifically directed against an epitope having functional relevance in its toxicity, to probe the dimeric assembly mode of this protein in solution. Linear B-cell epitopes were identified using a library of overlapping synthetic peptides spanning its complete sequence. Epitopes recognized by a rabbit antiserum to purified myotoxin II, and by three batches of a polyvalent (Crotalidae) therapeutic antivenom (prepared in horses immunized with a mixture of B. asper, Crotalus simus, and Lachesis stenophrys venoms) were mapped using an enzyme-immunoassay based on the capture of biotinylated peptides by immobilized streptavidin. Some of the epitopes identified were shared between the two species, whereas others were unique. Differences in epitope recognition were observed not only between the two species, but also within the three batches of equine antivenom. Epitope V, located at the C-terminal region of this protein, is known to be relevant for toxicity and neutralization. Affinity-purified rabbit antibodies specific for this site were able to immunoprecipitate myotoxin II, suggesting that the two copies of epitope V are simultaneously available to antibody binding, which would be compatible with the mode of dimerization known as "conventional" dimer. Copyright © 2012 Elsevier Ltd. All rights reserved.

  4. Multiple linear B-cell epitopes of classical swine fever virus glycoprotein E2 expressed in E.coli as multiple epitope vaccine induces a protective immune response

    Directory of Open Access Journals (Sweden)

    Wei Jian-Chao

    2011-07-01

    Full Text Available Abstract Classical swine fever is a highly contagious disease of swine caused by classical swine fever virus, an OIE list A pathogen. Epitope-based vaccines is one of the current focuses in the development of new vaccines against classical swine fever virus (CSFV. Two B-cell linear epitopes rE2-ba from the E2 glycoprotein of CSFV, rE2-a (CFRREKPFPHRMDCVTTTVENED, aa844-865 and rE2-b (CKEDYRYAISSTNEIGLLGAGGLT, aa693-716, were constructed and heterologously expressed in Escherichia coli as multiple epitope vaccine. Fifteen 6-week-old specified-pathogen-free (SPF piglets were intramuscularly immunized with epitopes twice at 2-week intervals. All epitope-vaccinated pigs could mount an anamnestic response after booster vaccination with neutralizing antibody titers ranging from 1:16 to 1:256. At this time, the pigs were subjected to challenge infection with a dose of 1 × 106 TCID50 virulent CSFV strain. After challenge infection, all of the rE2-ba-immunized pigs were alive and without symptoms or signs of CSF. In contrast, the control pigs continuously exhibited signs of CSF and had to be euthanized because of severe clinical symptoms at 5 days post challenge infection. The data from in vivo experiments shown that the multiple epitope rE2-ba shown a greater protection (similar to that of HCLV vaccine than that of mono-epitope peptide(rE2-a or rE2-b. Therefore, The results demonstrated that this multiple epitope peptide expressed in a prokaryotic system can be used as a potential DIVA (differentiating infected from vaccinated animals vaccine. The E.coli-expressed E2 multiple B-cell linear epitopes retains correct immunogenicity and is able to induce a protective immune response against CSFV infection.

  5. 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 -).

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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).

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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...

  19. 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.

  20. 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.

  1. 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).

  2. 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.

  3. Imaging linear and circular polarization features in leaves with complete Mueller matrix polarimetry.

    Science.gov (United States)

    Patty, C H Lucas; Luo, David A; Snik, Frans; Ariese, Freek; Buma, Wybren Jan; Ten Kate, Inge Loes; van Spanning, Rob J M; Sparks, William B; Germer, Thomas A; Garab, Győző; Kudenov, Michael W

    2018-03-09

    Spectropolarimetry of intact plant leaves allows to probe the molecular architecture of vegetation photosynthesis in a non-invasive and non-destructive way and, as such, can offer a wealth of physiological information. In addition to the molecular signals due to the photosynthetic machinery, the cell structure and its arrangement within a leaf can create and modify polarization signals. Using Mueller matrix polarimetry with rotating retarder modulation, we have visualized spatial variations in polarization in transmission around the chlorophyll a absorbance band from 650 nm to 710 nm. We show linear and circular polarization measurements of maple leaves and cultivated maize leaves and discuss the corresponding Mueller matrices and the Mueller matrix decompositions, which show distinct features in diattenuation, polarizance, retardance and depolarization. Importantly, while normal leaf tissue shows a typical split signal with both a negative and a positive peak in the induced fractional circular polarization and circular dichroism, the signals close to the veins only display a negative band. The results are similar to the negative band as reported earlier for single macrodomains. We discuss the possible role of the chloroplast orientation around the veins as a cause of this phenomenon. Systematic artefacts are ruled out as three independent measurements by different instruments gave similar results. These results provide better insight into circular polarization measurements on whole leaves and options for vegetation remote sensing using circular polarization. Copyright © 2018 The Author(s). Published by Elsevier B.V. All rights reserved.

  4. 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

  5. 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.

  6. Linear B-cell epitope mapping of MAPK3 and MAPK4 from Leishmania braziliensis: implications for the serodiagnosis of human and canine leishmaniasis.

    Science.gov (United States)

    Menezes-Souza, Daniel; de Oliveira Mendes, Tiago Antônio; de Araújo Leão, Ana Carolina; de Souza Gomes, Matheus; Fujiwara, Ricardo Toshio; Bartholomeu, Daniella Castanheira

    2015-02-01

    The correct and early identification of humans and dogs infected with Leishmania are key steps in the control of leishmaniasis. Additionally, a method with high sensitivity and specificity at low cost that allows the screening of a large number of samples would be extremely valuable. In this study, we analyzed the potential of mitogen-activated protein kinase 3 (MAPK3) and mitogen-activated protein kinase 4 (MAPK4) proteins from Leishmania braziliensis to serve as antigen candidates for the serodiagnosis of human visceral and tegumentary leishmaniasis, as well as canine visceral disease. Moreover, we mapped linear B-cell epitopes in these proteins and selected those epitopes with sequences that were divergent in the corresponding orthologs in Homo sapiens, in Canis familiaris, and in Trypanosoma cruzi. We compared the performance of these peptides with the recombinant protein using ELISA. Both MAPK3 and MAPK4 recombinant proteins showed better specificity in the immunodiagnosis of human and canine leishmaniasis than soluble parasite antigens and the EIE-leishmaniose-visceral-canina-bio-manguinhos (EIE-LVC) kit. Furthermore, the performance of this serodiagnosis assay was improved using synthetic peptides corresponding to B-cell epitopes derived from both proteins.

  7. 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...

  8. 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

  9. 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

  10. 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

  11. 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.

  12. 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

  13. Induction and Persistence of Large γH2AX Foci by High Linear Energy Transfer Radiation in DNA-Dependent protein kinase–Deficient Cells

    Energy Technology Data Exchange (ETDEWEB)

    Bracalente, Candelaria; Ibañez, Irene L. [Departamento de Micro y Nanotecnología, Comisión Nacional de Energía Atómica, San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires (Argentina); Molinari, Beatriz [Departamento de Radiobiología, Comisión Nacional de Energía Atómica, San Martín, Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires (Argentina); Palmieri, Mónica [Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Kreiner, Andrés [Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires (Argentina); Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, San Martín, Buenos Aires (Argentina); Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, San Martín, Buenos Aires (Argentina); Valda, Alejandro [Escuela de Ciencia y Tecnología, Universidad Nacional de San Martín, San Martín, Buenos Aires (Argentina); and others

    2013-11-15

    Purpose: To evaluate the cell response to DNA double-strand breaks induced by low and high linear energy transfer (LET) radiations when the catalytic subunit of DNA-dependent protein kinase (DNA-PKcs), an essential protein of the nonhomologous end-joining repair pathway, lacks kinase activity. Methods and Materials: CHO10B2, a Chinese hamster ovary cell line, and its derived radiosensitive mutant cell line, irs-20, lacking DNA-PKcs activity, were evaluated after 0 to 3 Gy of γ-rays, plateau and Bragg peak protons, and lithium beams by clonogenic assay, and as a measurement of double-strand breaks, phosphorylated H2AX (γH2AX) foci number and size were quantified by immunocytofluorescence. Results: Irs-20 exhibited greater radiosensitivity and a higher amount of γH2AX foci than CHO10B2 at 6 hours after irradiation for all types of radiations. Remarkably, CHO10B2 and irs-20 maintained their difference in radiosensitivity after high-LET radiation. Six hours after low-LET radiations, irs-20 did not reach basal levels of γH2AX at high doses, whereas CHO10B2 recovered basal levels for all doses. After high-LET radiation, only CHO10B2 exhibited a reduction in γH2AX foci, but it never reached basal levels. Persistent foci in irs-20 confirmed a repair deficiency. Interestingly, after 30 minutes of high-LET radiation both cell lines exhibited large foci (size >0.9 μm{sup 2}) related to the damage nature, whereas at 6 hours irs-20 showed a higher amount of large foci than CHO10B2, with a 7-fold increase at 3 Gy, that could also be associated to radiosensitivity. Conclusions: We demonstrated, for the first time, an association between deficient DNA-PKcs activity and not only high levels of H2AX phosphorylation but also persistence and size increase of γH2AX foci after high-LET irradiation.

  14. Antibody recognition of cathepsin L1-derived peptides in Fasciola hepatica-infected and/or vaccinated cattle and identification of protective linear B-cell epitopes.

    Science.gov (United States)

    Garza-Cuartero, Laura; Geurden, Thomas; Mahan, Suman M; Hardham, John M; Dalton, John P; Mulcahy, Grace

    2018-02-08

    Fasciola hepatica infection causes important economic losses in livestock and food industries around the world. In the Republic of Ireland F. hepatica infection has an 76% prevalence in cattle. Due to the increase of anti-helminthic resistance, a vaccine-based approach to control of Fasciolosis is urgently needed. A recombinant version of the cysteine protease cathepsin L1 (rmFhCL1) from F. hepatica has been a vaccine candidate for many years. We have found that vaccination of cattle with this immunodominant antigen has provided protection against infection in some experimental trials, but not in others. Differential epitope recognition between animals could be a source of variable levels of vaccine protection. Therefore, we have characterised for first time linear B-cell epitopes recognised within the FhCL1 protein using sera from F. hepatica-infected and/or vaccinated cattle from two independent trials. Results showed that all F. hepatica infected animals recognised the region 19-31 of FhCL1, which is situated in the N-terminal part of the pro-peptide. Vaccinated animals that showed fluke burden reduction elicited antibodies that bound to the regions 120-137, 145-155, 161-171 of FhCL1, which were not recognised by non-protected animals. This data, together with the high production of specific IgG2 in animals showing vaccine efficacy, suggest important targets for vaccine development. Copyright © 2018 Elsevier Ltd. All rights reserved.

  15. Improving serodiagnosis of human and canine leishmaniasis with recombinant Leishmania braziliensis cathepsin l-like protein and a synthetic peptide containing its linear B-cell epitope.

    Science.gov (United States)

    Menezes-Souza, Daniel; Mendes, Tiago Antônio de Oliveira; Gomes, Matheus de Souza; Bartholomeu, Daniella Castanheira; Fujiwara, Ricardo Toshio

    2015-01-01

    The early and correct diagnosis of human leishmaniasis is essential for disease treatment. Another important step in the control of visceral leishmaniasis is the identification of infected dogs, which are the main domestic reservoir of L. infantum. Recombinant proteins and synthetic peptides based on Leishmania genes have emerged as valuable targets for serodiagnosis due to their increased sensitivity, specificity and potential for standardization. Cathepsin L-like genes are surface antigens that are secreted by amastigotes and have little similarity to host proteins, factors that enable this protein as a good target for serodiagnosis of the leishmaniasis. We mapped a linear B-cell epitope within the Cathepsin L-like protein from L. braziliensis. A synthetic peptide containing the epitope and the recombinant protein was evaluated for serodiagnosis of human tegumentary and visceral leishmaniasis, as well as canine visceral leishmaniasis. The recombinant protein performed best for human tegumentary and canine visceral leishmaniasis, with 96.30% and 89.33% accuracy, respectively. The synthetic peptide was the best to discriminate human visceral leishmaniasis, with 97.14% specificity, 94.55% sensitivity and 96.00% accuracy. Comparison with T. cruzi-infected humans and dogs suggests that the identified epitope is specific to Leishmania parasites, which minimizes the likelihood of cross-reactions.

  16. Improving serodiagnosis of human and canine leishmaniasis with recombinant Leishmania braziliensis cathepsin l-like protein and a synthetic peptide containing its linear B-cell epitope.

    Directory of Open Access Journals (Sweden)

    Daniel Menezes-Souza

    2015-01-01

    Full Text Available The early and correct diagnosis of human leishmaniasis is essential for disease treatment. Another important step in the control of visceral leishmaniasis is the identification of infected dogs, which are the main domestic reservoir of L. infantum. Recombinant proteins and synthetic peptides based on Leishmania genes have emerged as valuable targets for serodiagnosis due to their increased sensitivity, specificity and potential for standardization. Cathepsin L-like genes are surface antigens that are secreted by amastigotes and have little similarity to host proteins, factors that enable this protein as a good target for serodiagnosis of the leishmaniasis.We mapped a linear B-cell epitope within the Cathepsin L-like protein from L. braziliensis. A synthetic peptide containing the epitope and the recombinant protein was evaluated for serodiagnosis of human tegumentary and visceral leishmaniasis, as well as canine visceral leishmaniasis.The recombinant protein performed best for human tegumentary and canine visceral leishmaniasis, with 96.30% and 89.33% accuracy, respectively. The synthetic peptide was the best to discriminate human visceral leishmaniasis, with 97.14% specificity, 94.55% sensitivity and 96.00% accuracy. Comparison with T. cruzi-infected humans and dogs suggests that the identified epitope is specific to Leishmania parasites, which minimizes the likelihood of cross-reactions.

  17. 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

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. 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...

  3. Modulation of the multilamellar membrane organization and of the chiral macrodomains in the diatom Phaeodactylum tricornutum revealed by small-angle neutron scattering and circular dichroism spectroscopy.

    Science.gov (United States)

    Nagy, Gergely; Szabó, Milán; Unnep, Renáta; Káli, György; Miloslavina, Yuliya; Lambrev, Petar H; Zsiros, Ottó; Porcar, Lionel; Timmins, Peter; Rosta, László; Garab, Győző

    2012-03-01

    Diatoms possess effective photoprotection mechanisms, which may involve reorganizations in the photosynthetic machinery. We have shown earlier, by using circular dichroism (CD) spectroscopy, that in Phaeodactylum tricornutum the pigment-protein complexes are arranged into chiral macrodomains, which have been proposed to be associated with the multilamellar organization of the thylakoid membranes and shown to be capable of undergoing light-induced reversible reorganizations (Szabó et al. Photosynth Res 95:237, 2008). Recently, by using small-angle neutron scattering (SANS) on the same algal cells we have determined the repeat distances and revealed reversible light-induced reorganizations in the lamellar order of thylakoids (Nagy et al. Biochem J 436:225, 2011). In this study, we show that in moderately heat-treated samples, the weakening of the lamellar order is accompanied by the diminishment of the psi-type CD signal associated with the long-range chiral order of the chromophores (psi, polymer or salt-induced). Further, we show that the light-induced reversible increase in the psi-type CD is associated with swelling in the membrane system, with magnitudes larger in high light than in low light. In contrast, shrinkage of the membrane system, induced by sorbitol, brings about a decrease in the psi-type CD signal; this shrinkage also diminishes the non-photochemical quenching capability of the cells. These data shed light on the origin of the psi-type CD signal, and confirm that both CD spectroscopy and SANS provide valuable information on the macro-organization of the thylakoid membranes and their dynamic properties; these parameters are evidently of interest with regard to the photoprotection in whole algal cells.

  4. 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 ...

  5. Mechanisms of Cell Killing Response from Low Linear Energy Transfer (LET Radiation Originating from 177Lu Radioimmunotherapy Targeting Disseminated Intraperitoneal Tumor Xenografts

    Directory of Open Access Journals (Sweden)

    Kwon Joong Yong

    2016-05-01

    Full Text Available Radiolabeled antibodies (mAbs provide efficient tools for cancer therapy. The combination of low energy β−-emissions (500 keVmax; 130 keVave along with a γ-emission for imaging makes 177Lu (T1/2 = 6.7 day a suitable radionuclide for radioimmunotherapy (RIT of tumor burdens possibly too large to treat with α-particle radiation. RIT with 177Lu-trastuzumab has proven to be effective for treatment of disseminated HER2 positive peritoneal disease in a pre-clinical model. To elucidate mechanisms originating from this RIT therapy at the molecular level, tumor bearing mice (LS-174T intraperitoneal xenografts were treated with 177Lu-trastuzumab comparatively to animals treated with a non-specific control, 177Lu-HuIgG, and then to prior published results obtained using 212Pb-trastuzumab, an α-particle RIT agent. 177Lu-trastuzumab induced cell death via DNA double strand breaks (DSB, caspase-3 apoptosis, and interfered with DNA-PK expression, which is associated with the repair of DNA non-homologous end joining damage. This contrasts to prior results, wherein 212Pb-trastuzumab was found to down-regulate RAD51, which is involved with homologous recombination DNA damage repair. 177Lu-trastuzumab therapy was associated with significant chromosomal disruption and up-regulation of genes in the apoptotic process. These results suggest an inhibition of the repair mechanism specific to the type of radiation damage being inflicted by either high or low linear energy transfer radiation. Understanding the mechanisms of action of β−- and α-particle RIT comparatively through an in vivo tumor environment offers real information suitable to enhance combination therapy regimens involving α- and β−-particle RIT for the management of intraperitoneal disease.

  6. Helical tomotherapy for head and neck squamous cell carcinoma: Dosimetric comparison with linear accelerator-based step-and-shoot IMRT

    Directory of Open Access Journals (Sweden)

    Murthy Vedang

    2010-01-01

    Full Text Available Background: Linear Accelerator-based Intensity Modulated Radiation Therapy (IMRT, either as step-and shoot (SS or in dynamic mode, is now considered routine in the definitive management of head and neck squamous cell carcinoma (HNSCC. Helical TomoTherapy (HT is a new platform to deliver IMRT. This study aims to compare step-and-shoot Intensity Modulated Radiation Therapy (SS IMRT with dynamic Helical TomoTherapy (HT dosimetrically in patients with head and neck squamous cell carcinoma (HNSCC. Materials and Methods: Twelve patients with HNSCC, previously treated with SS IMRT, were re-planned on HT using the same CT dataset. Plans were compared for target coverage and organs-at-risk (OARs sparing. Sparing of parotids was assessed after stratifying for side (contralateral vs. ipsilateral and site of disease (laryngopharynx vs. oropharynx. Normal tissue complication probabilities (NTCP were also compared for the parotid glands. Results: All HT plans showed improvement in target coverage and homogeneity, and reduction in OAR doses as compared to SS IMRT plans. For PTV 66, the mean V 99 improved by 14.65% ( P = 0.02. Dose Homogeneity (D 10-90 was significantly better in the HT plans (mean 2.07Gy as compared to 4.5Gy in the SS IMRT plans, P = 0.02. HT resulted in an average reduction of mean parotid dose of 12.66Gy and 18.28Gy for the contralateral and ipsilateral glands ( P = 0.003 respectively. This translated into a 24.09% and 35.22% reduction in Normal Tissue Complication Probability (NTCP for the contralateral and ipsilateral parotids respectively ( P < 0.01. Site of disease (laryngopharynx vs. oropharynx did not have any significant impact on parotid sparing between SS IMRT and HT. The maximum dose to the spinal cord showed a mean reduction of 12.07Gy in HT plans ( P = 0.02. Conclusion: Helical Tomotherapy achieved better target coverage with improved OAR sparing as compared to SS IMRT. The significant reduction in mean parotid doses translated

  7. 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,

  8. 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.

  9. 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)

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. Linear side chains in benzo[1,2-b:4,5-b′]dithiophene-thieno[3,4-c] pyrrole-4,6-dione polymers direct self-assembly and solar cell performance

    KAUST Repository

    Cabanetos, Clement

    2013-03-27

    While varying the size and branching of solubilizing side chains in π-conjugated polymers impacts their self-assembling properties in thin-film devices, these structural changes remain difficult to anticipate. This report emphasizes the determining role that linear side-chain substituents play in poly(benzo[1,2-b:4,5-b′]dithiophene-thieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD) polymers for bulk heterojunction (BHJ) solar cell applications. We show that replacing branched side chains by linear ones in the BDT motifs induces a critical change in polymer self-assembly and backbone orientation in thin films that correlates with a dramatic drop in solar cell efficiency. In contrast, we show that for polymers with branched alkyl-substituted BDT motifs, controlling the number of aliphatic carbons in the linear N-alkyl-substituted TPD motifs is a major contributor to improved material performance. With this approach, PBDTTPD polymers were found to reach power conversion efficiencies of 8.5% and open-circuit voltages of 0.97 V in BHJ devices with PC71BM, making PBDTTPD one of the best polymer donors for use in the high-band-gap cell of tandem solar cells. © 2013 American Chemical Society.

  15. Radiotherapy treatment planning linear-quadratic radiobiology

    CERN Document Server

    Chapman, J Donald

    2015-01-01

    Understand Quantitative Radiobiology from a Radiation Biophysics PerspectiveIn the field of radiobiology, the linear-quadratic (LQ) equation has become the standard for defining radiation-induced cell killing. Radiotherapy Treatment Planning: Linear-Quadratic Radiobiology describes tumor cell inactivation from a radiation physics perspective and offers appropriate LQ parameters for modeling tumor and normal tissue responses.Explore the Latest Cell Killing Numbers for Defining Iso-Effective Cancer TreatmentsThe book compil

  16. 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.

  17. 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

  18. Controlled cobalt doping in the spinel structure of magnetosome magnetite: new evidences from element- and site-specific X-ray magnetic circular dichroism analyses.

    Science.gov (United States)

    Li, Jinhua; Menguy, Nicolas; Arrio, Marie-Anne; Sainctavit, Philippe; Juhin, Amélie; Wang, Yinzhao; Chen, Haitao; Bunau, Oana; Otero, Edwige; Ohresser, Philippe; Pan, Yongxin

    2016-08-01

    The biomineralization of magnetite nanocrystals (called magnetosomes) by magnetotactic bacteria (MTB) has attracted intense interest in biology, geology and materials science due to the precise morphology of the particles, the chain-like assembly and their unique magnetic properties. Great efforts have been recently made in producing transition metal-doped magnetosomes with modified magnetic properties for a range of applications. Despite some successful outcomes, the coordination chemistry and magnetism of such metal-doped magnetosomes still remain largely unknown. Here, we present new evidences from X-ray magnetic circular dichroism (XMCD) for element- and site-specific magnetic analyses that cobalt is incorporated in the spinel structure of the magnetosomes within Magnetospirillum magneticum AMB-1 through the replacement of Fe(2+) ions by Co(2+) ions in octahedral (Oh) sites of magnetite. Both XMCD at Fe and Co L2,3 edges, and energy-dispersive X-ray spectroscopy on transmission electron microscopy analyses reveal a heterogeneous distribution of cobalt occurring either in different particles or inside individual particles. Compared with non-doped one, cobalt-doped magnetosome sample has lower Verwey transition temperature and larger magnetic coercivity, related to the amount of doped cobalt. This study also demonstrates that the addition of trace cobalt in the growth medium can significantly improve both the cell growth and the magnetosome formation within M. magneticum AMB-1. Together with the cobalt occupancy within the spinel structure of magnetosomes, this study indicates that MTB may provide a promising biomimetic system for producing chains of metal-doped single-domain magnetite with an appropriate tuning of the magnetic properties for technological and biomedical applications. © 2016 The Author(s).

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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)

  9. 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).

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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%).

  18. 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.

  19. 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.

  20. 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…

  1. 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.))

  2. 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

  3. 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.

  4. 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.

  5. 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...

  6. 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:...

  7. 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....

  8. 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

  9. 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)

  10. The merits of cell kinetic parameters for the assessment of intrinsic cellular radiosensitivity to photon and high linear energy transfer neutron irradiation

    International Nuclear Information System (INIS)

    Theron, Therina; Slabbert, Jacobus; Serafin, Antonio; Boehm, Lothar

    1997-01-01

    Purpose: Differences in tumor response and intrinsic cellular radiosensitivity make the selection of patients for specific radiation modalities very difficult. The reasons for these differences are still unclear, but are thought to be due to genomic and cellular characteristics. Because radiosensitivities vary between cell cycle stages and because S phase cells are very radioresistant, cell cycle kinetic parameters could be a candidate for predicting intrinsic radiosensitivity. Methods and Materials: A panel of 15 tumor cell lines was analyzed for S phase content and potential doubling times (T pot ), and the influence of these parameters on the intrinsic radiosensitivity to 60 Coγ- and p(66)/Be neutron irradiation was assessed. Results: S phase content and T pot show a statistically significant correlation with the mean inactivation dose for photons. The correlation between cell kinetic parameters and the mean inactivation dose for neutrons showed the same trend as photon sensitivity but this was not found to be statistically significant. Conclusions: S phase content and T pot were identified as suitable criteria for predicting photon sensitivity. It is suggested that cell kinetic parameters could play a role in identifying neutron sensitive tumors if both tumor and normal cells are analyzed

  11. 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

  12. 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

  13. 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)

  14. 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

  15. 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

  16. 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...

  17. 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)

  18. 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

  19. 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 ...

  20. Curcumin Regulates Low-Linear Energy Transfer γ-Radiation-Induced NFκB-Dependent Telomerase Activity in Human Neuroblastoma Cells

    International Nuclear Information System (INIS)

    Aravindan, Natarajan; Veeraraghavan, Jamunarani; Madhusoodhanan, Rakhesh; Herman, Terence S.; Natarajan, Mohan

    2011-01-01

    Purpose: We recently reported that curcumin attenuates ionizing radiation (IR)-induced survival signaling and proliferation in human neuroblastoma cells. Also, in the endothelial system, we have demonstrated that NFκB regulates IR-induced telomerase activity (TA). Accordingly, we investigated the effect of curcumin in inhibiting IR-induced NFκB-dependent hTERT transcription, TA, and cell survival in neuroblastoma cells. Methods and Materials: SK-N-MC or SH-SY5Y cells exposed to IR and treated with curcumin (10-100 nM) with or without IR were harvested after 1 h through 24 h. NFκB-dependent regulation was investigated either by luciferase reporter assays using pNFκB-, pGL3-354-, pGL3-347-, or pUSE-IκBα-Luc, p50/p65, or RelA siRNA-transfected cells. NFκB activity was analyzed using an electrophoretic mobility shift assay and hTERT expression using the quantitative polymerase chain reaction. TA was determined using the telomerase repeat amplification protocol assay and cell survival using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltertrazolium bromide and clonogenic assay. Results: Curcumin profoundly inhibited IR-induced NFκB. Consequently, curcumin significantly inhibited IR-induced TA and hTERT mRNA at all points investigated. Furthermore, IR-induced TA is regulated at the transcriptional level by triggering telomerase reverse transcriptase (TERT) promoter activation. Moreover, NFκB becomes functionally activated after IR and mediates TA upregulation by binding to the κB-binding region in the promoter region of the TERT gene. Consistently, elimination of the NFκB-recognition site on the telomerase promoter or inhibition of NFκB by the IκBα mutant compromises IR-induced telomerase promoter activation. Significantly, curcumin inhibited IR-induced TERT transcription. Consequently, curcumin inhibited hTERT mRNA and TA in NFκB overexpressed cells. Furthermore, curcumin enhanced the IR-induced inhibition of cell survival. Conclusions: These results

  1. 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.

  2. Cochlear outer hair cells in a dominant-negative connexin26 mutant mouse preserve non-linear capacitance in spite of impaired distortion product otoacoustic emission.

    Science.gov (United States)

    Minekawa, A; Abe, T; Inoshita, A; Iizuka, T; Kakehata, S; Narui, Y; Koike, T; Kamiya, K; Okamura, H-O; Shinkawa, H; Ikeda, K

    2009-12-15

    Mutations in the connexin26 gene (GJB2) are the most common genetic cause of congenital bilateral non-syndromic sensorineural hearing loss. Transgenic mice were established carrying human Cx26 with the R75W mutation that was identified in a deaf family with autosomal dominant negative inheritance [Kudo T et al. (2003) Hum Mol Genet 12:995-1004]. A dominant-negative Gjb2 R75W transgenic mouse model shows incomplete development of the cochlear supporting cells, resulting in profound deafness from birth [Inoshita A et al. (2008) Neuroscience 156:1039-1047]. The Cx26 defect in the Gjb2 R75W transgenic mouse is restricted to the supporting cells; it is unclear why the auditory response is severely disturbed in spite of the presence of outer hair cells (OHCs). The present study was designed to evaluate developmental changes in the in vivo and in vitro function of the OHC, and the fine structure of the OHC and adjacent supporting cells in the R75W transgenic mouse. No detectable distortion product otoacoustic emissions were observed at any frequencies in R75W transgenic mice throughout development. A characteristic phenotype observed in these mice was the absence of the tunnel of Corti, Nuel's space, and spaces surrounding the OHC; the OHC were compressed and squeezed by the surrounding supporting cells. On the other hand, the OHC developed normally. Structural features of the lateral wall, such as the membrane-bound subsurface cisterna beneath the plasma membrane, were intact. Prestin, the voltage-dependent motor protein, was observed by immunohistochemistry in the OHC basolateral membranes of both transgenic and non-transgenic mice. No significant differences in electromotility of isolated OHCs during development was observed between transgenic and control mice. The present study indicates that normal development of the supporting cells is indispensable for proper cellular function of the OHC.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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 ) .

  14. 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.

  15. 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.

  16. 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.

  17. POTENTIAL OF DESCRIPTIVE LINEAR DISCRIMINANT-ANALYSIS FOR STUDYING CLINICAL CHEMICAL AND HEMATOLOGICAL DATA FROM PERSONS WITH HETEROZYGOUS SICKLE-CELL DISEASE

    NARCIS (Netherlands)

    VOLMER, M; MUSKIET, FAJ; HINDRIKS, FR; VANDERSLIK, W

    To study the potential of multivariate classification methods in order to obtain more insight into abnormal laboratory data from patients with sickle cell disease, we investigated standard haematological and clinical chemical variables of 18 controls and 37 apparently healthy persons with

  18. 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.

  19. 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

  20. 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

  1. 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

  2. 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....

  3. 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.

  4. 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

  5. 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

  6. Structural and biophysical insight into dual site binding of the protoberberine alkaloid palmatine to parallel G-quadruplex DNA using NMR, fluorescence and circular dichroism spectroscopy.

    Science.gov (United States)

    Padmapriya, Kumar; Barthwal, Ritu

    2018-02-20

    Plant derived small molecules, which interact with and stabilize G-quadruplex DNA, act as inhibitors of telomere elongation and oncogene expression in humans. The inhibition of telomerase enzyme has immense potential since it is over expressed in most cancer cells. Interaction of palmatine, an antitumor alkaloid, to parallel G-quadruplex DNA, [d(TTGGGGT)] 4 and [d(TTAGGGT)] 4 , has been investigated using Nuclear Magnetic Resonance (NMR), fluorescence and Circular Dichroism (CD) spectroscopy. Titrations were monitored by recording 1 H and 31 P NMR spectra and solution structure of palmatine-[d(TTGGGGT)] 4 complex was obtained by restrained Molecular Dynamics (rMD) simulations using distance restraints from 2D NOESY spectra. Thermal stabilization of DNA was determined by CD, 1 H NMR and Differential Scanning Calorimetry (DSC). Binding of palmatine induces 98% enhancement of fluorescence accompanied by blue shift ∼8 nm. CD spectral bands of DNA show minor changes. Diffusion NMR studies confirm formation of a stable complex. Proton NMR signals of palmatine shift upfield upon binding and NOE cross peaks of H10, H3, H28, 5OCH 3 protons with T2, A3/G3, G6 and T7 residues reveal dual recognition sites in both G-quadruplex DNA sequences, resulting in thermal stabilization of G-quadruplex by ∼13-17 °C. Restrained molecular dynamics simulations using NOE distance restraints for 2:1 palmatine-[d(TTGGGGT)] 4 complex reveal end-stacking of palmatine at G6pT7 step and groove binding along T2pG3 step. Binding to [d(TTAGGGT)] 4 takes place at T2pA3pG4 and G6pT7 steps. Structural features of molecular recognition of two different G-quadruplex DNA sequences by palmatine have relevance in rational drug development for anti-cancer therapy. Copyright © 2018 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  7. 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

  8. 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 ...

  9. P-glycoprotein epitope mapping. I. Identification of a linear human-specific epitope in the fourth loop of the P-glycoprotein extracellular domain by MM4.17 murine monoclonal antibody to human multi-drug-resistant cells.

    Science.gov (United States)

    Cianfriglia, M; Willingham, M C; Tombesi, M; Scagliotti, G V; Frasca, G; Chersi, A

    1994-01-02

    A new murine monoclonal antibody (MAb), MM4.17, to human multi-drug-resistant (MDR) cells was found to be reactive in an ELISA with a synthetic 16-amino acid peptide selected from the fourth loop of the P-glycoprotein extracellular domain. Immunohistochemistry indicated that this MAb reacted in human tissues in the same pattern as that previously found with other human-specific MAbs to P-glycoprotein. For a precise definition of the MM4.17 epitope, a peptide library consisting of overlapping 4- to 10-mer residues covering the entire P-glycoprotein-fragment was synthesized on polyethylene pins and tested for MAb binding. The results of this ELISA demonstrated that the MM4.17 epitope is constituted by the continuous-linear TRIDDPET amino-acid sequence (residues 750-757 of the human MDRI-P-glycoprotein). The MAb MM4.17 recognizes only the human MDRI-P-glycoprotein isoform, and excess TRIDDPET peptide blocks the binding of the MAb to MDR variants of CEM cells. These results demonstrate that the amino-acid sequence TRIDDPET from the human MDRI gene represents the first continuous-linear epitope identified in the P-glycoprotein extracellular domain.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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...

  17. 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.

  18. 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.

  19. 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...

  20. 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....

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. 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...

  7. 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....

  8. 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.

  9. Linear Malignant Melanoma In Situ: Reports and Review of Cutaneous Malignancies Presenting as Linear Skin Cancer.

    Science.gov (United States)

    Cohen, Philip R

    2017-09-18

    Melanomas usually present as oval lesions in which the borders may be irregular. Other morphological features of melanoma include clinical asymmetry, variable color, diameter greater than 6 mm and evolving lesions. Two males whose melanoma in situ presented as linear skin lesions are described and cutaneous malignancies that may appear linear in morphology are summarized in this report. A medical literature search engine, PubMed, was used to search the following terms: cancer, cutaneous, in situ, linear, malignant, malignant melanoma, melanoma in situ, neoplasm, and skin. The 25 papers that were generated by the search and their references, were reviewed; 10 papers were selected for inclusion. The cancer of the skin typically presents as round lesions. However, basal cell carcinoma and squamous cell carcinoma may arise from primary skin conditions or benign skin neoplasms such as linear epidermal nevus and linear porokeratosis. In addition, linear tumors such as basal cell carcinoma can occur. The development of linear cutaneous neoplasms may occur secondary to skin tension line or embryonal growth patterns (as reflected by the lines of Langer and lines of Blaschko) or exogenous factors such as prior radiation therapy. Cutaneous neoplasms and specifically melanoma in situ can be added to the list of linear skin lesions.

  10. 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…

  11. 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

  12. 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.

  13. 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.

  14. 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).

  15. 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

  16. 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.

  17. 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

  18. Inferring polymorphism-induced regulatory gene networks active in human lymphocyte cell lines by weighted linear mixed model analysis of multiple RNA-Seq datasets.

    Directory of Open Access Journals (Sweden)

    Wensheng Zhang

    Full Text Available Single-nucleotide polymorphisms (SNPs contribute to the between-individual expression variation of many genes. A regulatory (trait-associated SNP is usually located near or within a (host gene, possibly influencing the gene's transcription or/and post-transcriptional modification. But its targets may also include genes that are physically farther away from it. A heuristic explanation of such multiple-target interferences is that the host gene transfers the SNP genotypic effects to the distant gene(s by a transcriptional or signaling cascade. These connections between the host genes (regulators and the distant genes (targets make the genetic analysis of gene expression traits a promising approach for identifying unknown regulatory relationships. In this study, through a mixed model analysis of multi-source digital expression profiling for 140 human lymphocyte cell lines (LCLs and the genotypes distributed by the international HapMap project, we identified 45 thousands of potential SNP-induced regulatory relationships among genes (the significance level for the underlying associations between expression traits and SNP genotypes was set at FDR < 0.01. We grouped the identified relationships into four classes (paradigms according to the two different mechanisms by which the regulatory SNPs affect their cis- and trans- regulated genes, modifying mRNA level or altering transcript splicing patterns. We further organized the relationships in each class into a set of network modules with the cis- regulated genes as hubs. We found that the target genes in a network module were often characterized by significant functional similarity, and the distributions of the target genes in three out of the four networks roughly resemble a power-law, a typical pattern of gene networks obtained from mutation experiments. By two case studies, we also demonstrated that significant biological insights can be inferred from the identified network modules.

  19. Cosmic statistics on linear scales

    Science.gov (United States)

    Papai, Peter

    We use the formalism of Szapudi (2004) to derive full explicit expressions for the linear two-point correlation function, including redshift space distortions and large angle effects. We take into account a non-perturbative geometric term in the Jacobian, which is still linear in terms of the dynamics. This term had been identified previously (Kaiser, 1987; Hamilton and Culhane, 1996), but has been neglected in all subsequent explicit calculations of the linear redshift space two-point correlation function. Our results represent a significant correction to previous explicit expressions and608are in excellent agreement with our measurements in the Hubble Volume Simulation. We measure the matter probability distribution function (PDF) via counts in cells in a volume limited subsample of the Sloan Digital Sky Survey (SDSS) Luminous Red Galaxy Catalog on scales from 30 h-1 Mpc to 150 h-1Mpc and estimate the linear integrated Sachs-Wolfe (ISW) effect produced by supervoids and superclusters in the tail of the PDF. We characterize the PDF by the variance, S3, and S4, and study in simulations the systematic effects due to finite volume, survey shape and redshift distortion. We compare our measurement to the prediction of ΛCDM with linear bias and find a good agreement. We use the moments to approximate the tail of the PDF with analytic functions. A simple Gaussian model for the superstructures appears to be consistent with the claim by Granett et al. (2008) that density fluctuations on 100 h-1Mpc scales produce hot and cold spots with DeltaT ≈ 10mu K on the cosmic microwave background. We calculate the full density and ISW profiles of spherical superstructures. We find that the Gaussian assumptions capable of describing N-body simulations and simulated ISW maps remarkably well on large scales. We construct an ISW map based on locations of superstructures identified previously in the SDSS Luminous Red Galaxy sample. A matched filter analysis of the cosmic microwave

  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. 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

  3. 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...

  4. 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.

  5. 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 ...

  6. 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

  7. 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)

  8. 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

  9. 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…

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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...

  16. 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)

  17. 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

  18. 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

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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

  8. 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...

  9. 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

  10. Parallel beam dynamics simulation of linear accelerators

    International Nuclear Information System (INIS)

    Qiang, Ji; Ryne, Robert D.

    2002-01-01

    In this paper we describe parallel particle-in-cell methods for the large scale simulation of beam dynamics in linear accelerators. These techniques have been implemented in the IMPACT (Integrated Map and Particle Accelerator Tracking) code. IMPACT is being used to study the behavior of intense charged particle beams and as a tool for the design of next-generation linear accelerators. As examples, we present applications of the code to the study of emittance exchange in high intensity beams and to the study of beam transport in a proposed accelerator for the development of accelerator-driven waste transmutation technologies

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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

  16. 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...

  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. 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

  1. Alternatives to the linear risk hypothesis

    International Nuclear Information System (INIS)

    Craig, A.G.

    1976-01-01

    A theoretical argument is presented which suggests that in using the linear hypothesis for all values of LET the low dose risk is overestimated for low LET but that it is underestimated for very high LET. The argument is based upon the idea that cell lesions which do not lead to cell death may in fact lead to a malignant cell. Expressions for the Surviving Fraction and the Cancer Risk based on this argument are given. An advantage of this very general approach is that is expresses cell survival and cancer risk entirely in terms of the cell lesions and avoids the rather contentious argument as to how the average number of lesions should be related to the dose. (U.K.)

  2. Robust feedback linearization for nonlinear processes control.

    Science.gov (United States)

    Rubio, José de Jesús

    2018-03-01

    In this research, a robust feedback linearization technique is studied for nonlinear processes control. The main contributions are described as follows: 1) Theory says that if a linearized controlled process is stable, then nonlinear process states are asymptotically stable, it is not satisfied in applications because some states converge to small values; therefore, a theorem based on Lyapunov theory is proposed to prove that if a linearized controlled process is stable, then nonlinear process states are uniformly stable. 2) Theory says that all the main and crossed states feedbacks should be considered for the nonlinear processes regulation, it makes more difficult to find the controller gains; consequently, only the main states feedbacks are utilized to obtain a satisfactory result in applications. This introduced strategy is applied in a fuel cell and a manipulator. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

  3. 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

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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...

  9. 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.

  10. 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

  11. 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.

  12. 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...

  13. Linear Programming and Network Flows

    CERN Document Server

    Bazaraa, Mokhtar S; Sherali, Hanif D

    2011-01-01

    The authoritative guide to modeling and solving complex problems with linear programming-extensively revised, expanded, and updated The only book to treat both linear programming techniques and network flows under one cover, Linear Programming and Network Flows, Fourth Edition has been completely updated with the latest developments on the topic. This new edition continues to successfully emphasize modeling concepts, the design and analysis of algorithms, and implementation strategies for problems in a variety of fields, including industrial engineering, management science, operations research

  14. Linear representation of a graph

    Directory of Open Access Journals (Sweden)

    Eduardo Montenegro

    2019-10-01

    Full Text Available In this paper the linear representation of a graph is defined. A linear representation of a graph is a subgroup of $GL(p,\\mathbb{R}$, the group of invertible matrices of order $ p $ and real coefficients. It will be demonstrated that every graph admits a linear representation. In this paper, simple and finite graphs will be used, framed in the graphs theory's area

  15. Linear operator inequalities for strongly stable weakly regular linear systems

    NARCIS (Netherlands)

    Curtain, RF

    2001-01-01

    We consider the question of the existence of solutions to certain linear operator inequalities (Lur'e equations) for strongly stable, weakly regular linear systems with generating operators A, B, C, 0. These operator inequalities are related to the spectral factorization of an associated Popov

  16. The art of linear electronics

    CERN Document Server

    Hood, John Linsley

    2013-01-01

    The Art of Linear Electronics presents the principal aspects of linear electronics and techniques in linear electronic circuit design. The book provides a wide range of information on the elucidation of the methods and techniques in the design of linear electronic circuits. The text discusses such topics as electronic component symbols and circuit drawing; passive and active semiconductor components; DC and low frequency amplifiers; and the basic effects of feedback. Subjects on frequency response modifying circuits and filters; audio amplifiers; low frequency oscillators and waveform generato

  17. Elementary linear programming with applications

    CERN Document Server

    Kolman, Bernard

    1995-01-01

    Linear programming finds the least expensive way to meet given needs with available resources. Its results are used in every area of engineering and commerce: agriculture, oil refining, banking, and air transport. Authors Kolman and Beck present the basic notions of linear programming and illustrate how they are used to solve important common problems. The software on the included disk leads students step-by-step through the calculations. The Second Edition is completely revised and provides additional review material on linear algebra as well as complete coverage of elementary linear program

  18. Linear operators for quantum mechanics

    CERN Document Server

    Jordan, Thomas F

    1969-01-01

    This compact treatment highlights the logic and simplicity of the mathematical structure of quantum mechanics. Suitable for advanced undergraduates and graduate students, it treats the language of quantum mechanics as expressed in the mathematics of linear operators.Originally oriented toward atomic physics, quantum mechanics became a basic language for solid-state, nuclear, and particle physics. Its grammar consists of the mathematics of linear operators, and with this text, students will find it easier to understand and use the language of physics. Topics include linear spaces and linear fun

  19. Linear and non-linear optics of condensed matter

    International Nuclear Information System (INIS)

    McLean, T.P.

    1977-01-01

    Part I - Linear optics: 1. General introduction. 2. Frequency dependence of epsilon(ω, k vector). 3. Wave-vector dependence of epsilon(ω, k vector). 4. Tensor character of epsilon(ω, k vector). Part II - Non-linear optics: 5. Introduction. 6. A classical theory of non-linear response in one dimension. 7. The generalization to three dimensions. 8. General properties of the polarizability tensors. 9. The phase-matching condition. 10. Propagation in a non-linear dielectric. 11. Second harmonic generation. 12. Coupling of three waves. 13. Materials and their non-linearities. 14. Processes involving energy exchange with the medium. 15. Two-photon absorption. 16. Stimulated Raman effect. 17. Electro-optic effects. 18. Limitations of the approach presented here. (author)

  20. Analysis of the major chiral compounds of Artemisia herba-alba essential oils (EOs) using reconstructed vibrational circular dichroism (VCD) spectra: En route to a VCD chiral signature of EOs.

    Science.gov (United States)

    Said, Mohammed El-Amin; Vanloot, Pierre; Bombarda, Isabelle; Naubron, Jean-Valère; Dahmane, El Montassir; Aamouche, Ahmed; Jean, Marion; Vanthuyne, Nicolas; Dupuy, Nathalie; Roussel, Christian

    2016-01-15

    An unprecedented methodology was developed to simultaneously assign the relative percentages of the major chiral compounds and their prevailing enantiomeric form in crude essential oils (EOs). In a first step the infrared (IR) and vibrational circular dichroism (VCD) spectra of the crude essential oils were recorded and in a second step they were modelized as a linear weighted combination of the IR and VCD spectra of the individual spectra of pure enantiomer of the major chiral compounds present in the EOs. The VCD spectra of enantiomer of known enantiomeric excess shall be recorded if they are not yet available in a library of VCD spectra. For IR, the spectra of pure enantiomer or racemic mixture can be used. The full spectra modelizations were performed using a well known and powerful mathematical model (least square estimation: LSE) which resulted in a weighting of each contributing compound. For VCD modelization, the absolute value of each weighting represented the percentage of the associate compound while the attached sign addressed the correctness of the enantiomeric form used to build the model. As an example, a model built with the non-prevailing enantiomer will show a negative sign of the weighting value. For IR spectra modelization, the absolute value of each weighting represented the percentage of the compounds without of course accounting for the chirality of the prevailing enantiomers. Comparison of the weighting values issuing from IR and VCD spectra modelizations is a valuable source of information: if they are identical, the EOs are composed of nearly pure enantiomers, if they are different the chiral compounds of the EOs are not in an optically pure form. The method was applied on four samples of essential oil of Artemisia herba-alba in which the three major compounds namely (-)-α-thujone, (+)-β-thujone and (-)-camphor were found in different proportions as determined by GC-MS and chiral HPLC using polarimetric detector. In order to validate the

  1. HOM-Free Linear Accelerating Structure for e+ e- Linear Collider at C-Band

    CERN Document Server

    Kubo, K

    2003-01-01

    HOM-free linear acceleration structure using the choke mode cavity (damped cavity) is now under design for e sup + e sup - linear collider project at C-band frequency (5712 MHz). Since this structure shows powerful damping effect on most of all HOMs, there is no multibunch problem due to long range wakefields. The structure will be equipped with the microwave absorbers in each cells and also the in-line dummy load in the last few cells. The straightness tolerance for 1.8 m long structure is closer than 30 (micro)m for 25% emittance dilution limit, which can be achieved by standard machining and braising techniques. Since it has good vacuum pumping conductance through annular gaps in each cell, instabilities due to the interaction of beam with the residual-gas and ions can be minimized.

  2. Spaces of Piecewise Linear Manifolds

    DEFF Research Database (Denmark)

    Gomez Lopez, Mauricio Esteban

    maps, and on a fiberwise transversality result for piecewise linear submersions whose fibers are contained in R × (-1,1)N-1 ⊆ RN . For the proof of this transversality result we use a theorem of Hudson on extensions of piecewise linear isotopies which is why we need to include the condition N — d ≥ 3...

  3. Linear Algebra and Image Processing

    Science.gov (United States)

    Allali, Mohamed

    2010-01-01

    We use the computing technology digital image processing (DIP) to enhance the teaching of linear algebra so as to make the course more visual and interesting. Certainly, this visual approach by using technology to link linear algebra to DIP is interesting and unexpected to both students as well as many faculty. (Contains 2 tables and 11 figures.)

  4. Para-mixed linear spaces

    Directory of Open Access Journals (Sweden)

    Crasmareanu Mircea

    2017-12-01

    Full Text Available We consider the paracomplex version of the notion of mixed linear spaces introduced by M. Jurchescu in [4] by replacing the complex unit i with the paracomplex unit j, j2 = 1. The linear algebra of these spaces is studied with a special view towards their morphisms.

  5. 175 Years of Linear Programming

    Indian Academy of Sciences (India)

    context of managerial decision making. Vijay Chandru and M R Rao. The theory of flows in networks began to evolve in the early 1950's. The various linear optimisation questions that could be asked of flows in conserv- ing networks turned out to be neat combinatorial specialisations of linear programming. The simplex.

  6. Introduction to coordinated linear systems

    NARCIS (Netherlands)

    Kempker, P.L.

    2014-01-01

    This chapter serves as an introduction to the concepts of coordinated linear systems, in formal as well as intuitive terms. The concept of a coordinated linear system is introduced and formulated, and some basic properties are derived, providing both a motivaton and a formal basis for the following

  7. 175 Years of Linear Programming

    Indian Academy of Sciences (India)

    ming, we will review the remarkable and prescient work on linear inequalities ... function over a polyhedron described by a system of linear constraint ..... An organic role of. Fourier elimination is in obtaining an implicit representation of a convex polyhedron from a parametric representation. SERIES I ARTICLE and extreme ...

  8. Linear Quadratic Games : An Overview

    NARCIS (Netherlands)

    Engwerda, J.C.

    2006-01-01

    In this paper we review some basic results on linear quadratic differential games.We consider both the cooperative and non-cooperative case.For the non-cooperative game we consider the open-loop and (linear) feedback information structure.Furthermore the effect of adding uncertainty is

  9. 175 Years of Linear Programming

    Indian Academy of Sciences (India)

    The announcement, by L G Khachiyan, of the poly- nomial solvability of linear programming by the el- lipsoid method, followed by the probabilistic anal- yses of the simplex method in the early 1980's left researchers in linear programming with a dilemma. We had one method that was good in a theoreti- cal sense but poor in ...

  10. Linear contextual modal type theory

    DEFF Research Database (Denmark)

    Schack-Nielsen, Anders; Schürmann, Carsten

    Abstract. When one implements a logical framework based on linear type theory, for example the Celf system [?], one is immediately con- fronted with questions about their equational theory and how to deal with logic variables. In this paper, we propose linear contextual modal type theory that gives...

  11. Spatial Processes in Linear Ordering

    Science.gov (United States)

    von Hecker, Ulrich; Klauer, Karl Christoph; Wolf, Lukas; Fazilat-Pour, Masoud

    2016-01-01

    Memory performance in linear order reasoning tasks (A > B, B > C, C > D, etc.) shows quicker, and more accurate responses to queries on wider (AD) than narrower (AB) pairs on a hypothetical linear mental model (A -- B -- C -- D). While indicative of an analogue representation, research so far did not provide positive evidence for spatial…

  12. Linear Programming across the Curriculum

    Science.gov (United States)

    Yoder, S. Elizabeth; Kurz, M. Elizabeth

    2015-01-01

    Linear programming (LP) is taught in different departments across college campuses with engineering and management curricula. Modeling an LP problem is taught in every linear programming class. As faculty teaching in Engineering and Management departments, the depth to which teachers should expect students to master this particular type of…

  13. Non-Linear Mixed Logit

    DEFF Research Database (Denmark)

    Andersen, Steffen; Harrison, Glenn W.; Hole, Arne Risa

    2012-01-01

    We develop an extension of the familiar linear mixed logit model to allow for the direct estimation of parametric non-linear functions defined over structural parameters. Classic applications include the estimation of coefficients of utility functions to characterize risk attitudes and discounting...

  14. Introduction to generalized linear models

    CERN Document Server

    Dobson, Annette J

    2008-01-01

    Introduction Background Scope Notation Distributions Related to the Normal Distribution Quadratic Forms Estimation Model Fitting Introduction Examples Some Principles of Statistical Modeling Notation and Coding for Explanatory Variables Exponential Family and Generalized Linear Models Introduction Exponential Family of Distributions Properties of Distributions in the Exponential Family Generalized Linear Models Examples Estimation Introduction Example: Failure Times for Pressure Vessels Maximum Likelihood Estimation Poisson Regression Example Inference Introduction Sampling Distribution for Score Statistics Taylor Series Approximations Sampling Distribution for MLEs Log-Likelihood Ratio Statistic Sampling Distribution for the Deviance Hypothesis Testing Normal Linear Models Introduction Basic Results Multiple Linear Regression Analysis of Variance Analysis of Covariance General Linear Models Binary Variables and Logistic Regression Probability Distributions ...

  15. Acoustic emission linear pulse holography

    International Nuclear Information System (INIS)

    Collins, H.D.; Busse, L.J.; Lemon, D.K.

    1983-01-01

    This paper describes the emission linear pulse holography which produces a chronological linear holographic image of a flaw by utilizing the acoustic energy emitted during crack growth. A thirty two point sampling array is used to construct phase-only linear holograms of simulated acoustic emission sources on large metal plates. The concept behind the AE linear pulse holography is illustrated, and a block diagram of a data acquisition system to implement the concept is given. Array element spacing, synthetic frequency criteria, and lateral depth resolution are specified. A reference timing transducer positioned between the array and the inspection zone and which inititates the time-of-flight measurements is described. The results graphically illustrate the technique using a one-dimensional FFT computer algorithm (ie. linear backward wave) for an AE image reconstruction

  16. Ordinal Log-Linear Models for Contingency Tables

    Directory of Open Access Journals (Sweden)

    Brzezińska Justyna

    2016-12-01

    Full Text Available A log-linear analysis is a method providing a comprehensive scheme to describe the association for categorical variables in a contingency table. The log-linear model specifies how the expected counts depend on the levels of the categorical variables for these cells and provide detailed information on the associations. The aim of this paper is to present theoretical, as well as empirical, aspects of ordinal log-linear models used for contingency tables with ordinal variables. We introduce log-linear models for ordinal variables: linear-by-linear association, row effect model, column effect model and RC Goodman’s model. Algorithm, advantages and disadvantages will be discussed in the paper. An empirical analysis will be conducted with the use of R.

  17. Linear and Generalized Linear Mixed Models and Their Applications

    CERN Document Server

    Jiang, Jiming

    2007-01-01

    This book covers two major classes of mixed effects models, linear mixed models and generalized linear mixed models, and it presents an up-to-date account of theory and methods in analysis of these models as well as their applications in various fields. The book offers a systematic approach to inference about non-Gaussian linear mixed models. Furthermore, it has included recently developed methods, such as mixed model diagnostics, mixed model selection, and jackknife method in the context of mixed models. The book is aimed at students, researchers and other practitioners who are interested

  18. Mathematical Modeling of Linear and Non-Linear Aircraft Structures.

    Science.gov (United States)

    1980-07-01

    7 A-A OBO 439 LISORY GROUP FOR AEROSPACE RESEARCH AND DEVELOPMENT--ETC F IG 1/2 MATHENATICAL MODELING OF LINEAR AND NON-LINEAR AIRCRAFT STRUCTu...theoretical model. (see Fig.1): Continuum Physical Model Mathematical Model Numerical computation ] Analytical treatment (Discretization)Ft Fig.: 1...this model neglecting unessential details. This "Mathematical Model" is usually solved by numerical computation , which means that a discretization of

  19. Efficient Searching with Linear Constraints

    DEFF Research Database (Denmark)

    Agarwal, Pankaj K.; Arge, Lars Allan; Erickson, Jeff

    2000-01-01

    We show how to preprocess a set S of points in d into an external memory data structure that efficiently supports linear-constraint queries. Each query is in the form of a linear constraint xd a0+∑d−1i=1 aixi; the data structure must report all the points of S that satisfy the constraint....... This problem is called halfspace range searching in the computational geometry literature. Our goal is to minimize the number of disk blocks required to store the data structure and the number of disk accesses (I/Os) required to answer a query. For d=2, we present the first data structure that uses linear...... space and answers linear-constraint queries using an optimal number of I/Os in the worst case. For d=3, we present a near-linear-size data structure that answers queries using an optimal number of I/Os on the average. We present linear-size data structures that can answer d-dimensional linear...

  20. Numerical Based Linear Model for Dipole Magnets

    Energy Technology Data Exchange (ETDEWEB)

    Li,Y.; Krinsky, S.; Rehak, M.

    2009-05-04

    In this paper, we discuss an algorithm for constructing a numerical linear optics model for dipole magnets from a 3D field map. The difference between the numerical model and K. Brown's analytic approach is investigated and clarified. It was found that the optics distortion due to the dipoles' fringe focusing must be properly taken into account to accurately determine the chromaticities. In NSLS-II, there are normal dipoles with 35-mm gap and dipoles for infrared sources with 90-mm gap. This linear model of the dipole magnets is applied to the NSLS-II lattice design to match optics parameters between the DBA cells having dipoles with different gaps.