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Sample records for polarization fragment method

  1. Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

    Science.gov (United States)

    Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

    2011-08-28

    Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

  2. Polarization and alignment of nucleus fission fragments

    International Nuclear Information System (INIS)

    Barabanov, A.L.; Grechukhin, D.P.

    1987-01-01

    Correlation of fragment orientation with orientation axis of fissile nucleus and with n-vector f vector of fragment divergence is considered. Estimations of polarization and alignment of fission fragments of preliminarily oriented nuclei in correlation (with n-vector f recording) and integral (with n-vector f averaging) experiments were conducted. It is shown that high sensitivity of polarization and fragment alignment to the character of nucleus movement at the stage of descent from barrier to rupture point exists

  3. Polarization effects in hadron fragmentation

    International Nuclear Information System (INIS)

    Lednicky, R.

    1984-01-01

    Hadron polarization (spin alignment) and polarization asymmetry are discussed in terms of the quark recombination model with the spin-orbit interaction taken into account. It is shown that predictions of this model are at least in qualitative agreement with experimental data. Various polarization mechanisms in terms of this model and the possibility of their checking are also discussed

  4. Fragmentation functions of polarized heavy quarkonium

    International Nuclear Information System (INIS)

    Ma, Yan-Qing; Qiu, Jian-Wei; Zhang, Hong

    2015-01-01

    Investigating the production of polarized heavy quarkonia in terms of recently proposed QCD factorization formalism requires the knowledge of a large number of input fragmentation functions (FFs) from a single parton or a heavy quark-antiquark pair to a polarized heavy quarkonium. We study these universal FFs at the input factorization scale μ 0 ≳2m Q , with heavy quark mass m Q , in the framework of nonrelativistic QCD (NRQCD) factorization. We express these FFs in terms of perturbatively calculable coefficients for producing a heavy quark-antiquark pair in all possible NRQCD states, multiplied by corresponding NRQCD long-distance matrix elements for the pair to transmute into a polarized heavy quarkonium. We derive all relevant NRQCD operators for the long-distance matrix elements based on symmetries, and introduce a self-consistent scheme to define them in arbitrary d-dimensions. We compute, up to the first non-trivial order in α s , the perturbative coefficients for producing a heavy quark pair in all possible S-wave and P-wave NRQCD states. We also discuss the role of the polarized FFs in generating QCD predictions for the polarization of J/ψ produced at collider energies.

  5. Hyperion polarization and transverse momentum properties in proton fragmentation

    International Nuclear Information System (INIS)

    Andersson, B.; Gustafson, G.; Maansson, O.

    1982-11-01

    A dynamical mechanism for proton interaction in hadronic collisions is presented which provides a verification of the model with an essentially one-dimensional colour force field in the proton fragmentation region, proposed earlier. We include here a discussion of the transverse momentum properties of the final state particles and polarization properties for hyperions in proton fragmentation. (Author)

  6. Recursive model for the fragmentation of polarized quarks

    Science.gov (United States)

    Kerbizi, A.; Artru, X.; Belghobsi, Z.; Bradamante, F.; Martin, A.

    2018-04-01

    We present a model for Monte Carlo simulation of the fragmentation of a polarized quark. The model is based on string dynamics and the 3P0 mechanism of quark pair creation at string breaking. The fragmentation is treated as a recursive process, where the splitting function of the subprocess q →h +q' depends on the spin density matrix of the quark q . The 3P0 mechanism is parametrized by a complex mass parameter μ , the imaginary part of which is responsible for single spin asymmetries. The model has been implemented in a Monte Carlo program to simulate jets made of pseudoscalar mesons. Results for single hadron and hadron pair transverse-spin asymmetries are found to be in agreement with experimental data from SIDIS and e+e- annihilation. The model predictions on the jet-handedness are also discussed.

  7. How to learn about polarized lambda-baryon fragmentation functions?

    International Nuclear Information System (INIS)

    Soffer, J.

    1999-01-01

    We study the inclusive production of Λ (Λ-bar) in several high energy collision processes (e + e - , e ± p, ν(ν-bar)p, pp), in view of an accurate determination of the polarized fragmentation functions of a quark into a Λ (Λ-bar). We will recall that present data are unable to distinguish between various theoretical models, in particular for the spin transfer mechanisms and we will indicate how future measurements will provide ways to discriminate between them and also how to achieve a necessary quark flavor separation

  8. Fragmentation of tensor polarized deuterons into cumulative pions

    International Nuclear Information System (INIS)

    Afanas'ev, S.; Arkhipov, V.; Bondarev, V.

    1998-01-01

    The tensor analyzing power T 20 of the reaction d polarized + A → π - (0 0 ) + X has been measured in the fragmentation of 9 GeV tensor polarized deuterons into pions with momenta from 3.5 to 5.3 GeV/c on hydrogen, beryllium and carbon targets. This kinematic range corresponds to the region of cumulative hadron production with the cumulative variable x c from 1.08 to 1.76. The values of T 20 have been found to be small and consistent with positive values. This contradicts the predictions based on a direct mechanism assuming NN collision between a high momentum nucleon in the deuteron and a target nucleon (NN → NNπ)

  9. SPIN EFFECTS IN THE FRAGMENTATION OF TRANSVERSELY POLARIZED AND UNPOLARIZED QUARKS

    International Nuclear Information System (INIS)

    ANSELMINO, M.; BOER, D.; DALESIO, U.; MURGIA, F.

    2001-01-01

    We study the fragmentation of a transversely polarized quark into a non-collinear (kperpendicular ≠ 0) spinless hadron and the fragmentation of an unpolarized quark into a non collinear transversely polarized spin 1/2 baryon. These nonperturbative properties are described by spin and kperpendicular dependent fragmentation functions and are revealed in the observation of single spin asymmetries. Recent data on the production of pions in polarized semi-inclusive DIS and long known data on A polarization in unpolarized p-N processes are considered: these new fragmentation functions can describe the experimental results and the single spin effects in the quark fragmentation turn out to be surprisingly large

  10. Model for self-polarization and motility of keratocyte fragments

    KAUST Repository

    Ziebert, F.; Swaminathan, S.; Aranson, I. S.

    2011-01-01

    Computational modelling of cell motility on substrates is a formidable challenge; regulatory pathways are intertwined and forces that influence cell motion are not fully quantified. Additional challenges arise from the need to describe a moving deformable cell boundary. Here, we present a simple mathematical model coupling cell shape dynamics, treated by the phase-field approach, to a vector field describing the mean orientation (polarization) of the actin filament network. The model successfully reproduces the primary phenomenology of cell motility: discontinuous onset of motion, diversity of cell shapes and shape oscillations. The results are in qualitative agreement with recent experiments on motility of keratocyte cells and cell fragments. The asymmetry of the shapes is captured to a large extent in this simple model, which may prove useful for the interpretation of experiments.

  11. Model for self-polarization and motility of keratocyte fragments

    KAUST Repository

    Ziebert, F.

    2011-10-19

    Computational modelling of cell motility on substrates is a formidable challenge; regulatory pathways are intertwined and forces that influence cell motion are not fully quantified. Additional challenges arise from the need to describe a moving deformable cell boundary. Here, we present a simple mathematical model coupling cell shape dynamics, treated by the phase-field approach, to a vector field describing the mean orientation (polarization) of the actin filament network. The model successfully reproduces the primary phenomenology of cell motility: discontinuous onset of motion, diversity of cell shapes and shape oscillations. The results are in qualitative agreement with recent experiments on motility of keratocyte cells and cell fragments. The asymmetry of the shapes is captured to a large extent in this simple model, which may prove useful for the interpretation of experiments.

  12. Heavy quark fragmentation into polarized quarkonium in the heavy quark effective theory

    International Nuclear Information System (INIS)

    Martynenko, A.P.; Saleev, V.A.

    1996-01-01

    Fragmentation of b-antiquark into polarized B* c -mesons is investigated within the framework of effective theory of heavy quarks. Functions of b fragmentation into longitudinally polarized and transversely polarized S-wave states of b c are calculated with an exact regard tot he first order corrections by 1/m b . Agreement of the results obtained with the corresponding calculations, performed in the quantum chromodynamics, is shown. 17 refs.; 2 figs

  13. Spin dependent fragmentation functions for heavy flavor baryons and single heavy hyperon polarization

    CERN Document Server

    Goldstein, G R

    2001-01-01

    Spin dependent fragmentation functions for heavy flavor quarks to fragment into heavy baryons are calculated in a quark-diquark model. The production of intermediate spin 1/2 and 3/2 excited states is explicity included. $\\Lambda_b$ , $\\Lambda_c$ and $\\Xi_c$ production rate and polarization at LEP energies are calculated and, where possible, compared with experiment. A different approach, also relying on a heavy quark-diquark model, is proposed for the small momentum transfer inclusive production of polarized heavy flavor hyperons. The predicted $\\Lambda_c$ polarization is roughly in agreement with experiment.

  14. Mapping enzymatic catalysis using the effective fragment molecular orbital method

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Fedorov, Dmitri G.; Jensen, Jan Halborg

    2013-01-01

    We extend the Effective Fragment Molecular Orbital (EFMO) method to the frozen domain approach where only the geometry of an active part is optimized, while the many-body polarization effects are considered for the whole system. The new approach efficiently mapped out the entire reaction path...... of chorismate mutase in less than four days using 80 cores on 20 nodes, where the whole system containing 2398 atoms is treated in the ab initio fashion without using any force fields. The reaction path is constructed automatically with the only assumption of defining the reaction coordinate a priori. We...

  15. Polarization of lanthanum nucleus by dynamic polarization method

    International Nuclear Information System (INIS)

    Adachi, Toshikazu; Ishimoto, Shigeru; Masuda, Yasuhiro; Morimoto, Kimio

    1989-01-01

    Preliminary studies have been carried out concerning the application of a dynamic polarization method to polarizing lanthanum fluoride single crystal to be employed as target in experiments with time reversal invariance. The present report briefly outlines the dynamic polarization method and describes some preliminary studies carried out so far. Dynamic polarization is of particular importance because no techniques are currently available that can produce highly polarized static nucleus. Spin interaction between electrons and protons (nuclei) plays a major role in the dynamic polarization method. In a thermal equilibrium state, electrons are polarized almost completely while most protons are not polarized. Positively polarized proton spin is produced by applying microwave to this system. The most hopeful candidate target material is single crystal of LaF 3 containing neodymium because the crystal is chemically stable and easy to handle. The spin direction is of great importance in experiments with time reversal invariance. The spin of neutrons in the target can be cancelled by adjusting the external magnetic field applied to a frozen polarized target. In a frozen spin state, the polarity decreases slowly with a relaxation time that depends on the external magnetic field and temperature. (N.K.)

  16. The identification method of the nuclear fragments in emulsions

    International Nuclear Information System (INIS)

    Jipa, Alexandru; Ocheseanu, Silvia; Caramarcu, Costin; Calin, Marius; Constantin, Florin; Stan, Emil

    2003-01-01

    The visualization detectors have been successfully used from the beginning of the study of the relativistic nuclear collisions. One of these detectors used in such experiments is the nuclear emulsion. To increase the speed of the passage from pictures to experimental data different methods and tools have been proposed during the time. For identifying the nuclear fragments obtained in the relativistic radioactive beams multiple layers of nuclear emulsions have been exposed in experiments performed at the Synchrophasotron from the JINR Dubna (BECQUEREL Collaboration). The nuclear fragments have been identified using PAVICOM scanning and measuring system. In the present work an identification method based on a real time image processing machine and a reconstruction algorithm based on special conformal transforms is proposed. The results obtained by this method are compared with those obtained using PAVICOM device. Because in this study only pictures have been used, not initial nuclear emulsions, some difficulties in the identification of the nuclear fragments with higher polar angles can appear. Generally, comparable results have been obtained. The authors thank Dr. Pavel Zarubin from JINR Dubna, Laboratory of High Energy Physics, and Dr. Maria Haiduc, Institute of Space Sciences Bucharest-Magurele, for the pictures of the nuclear emulsions exposed in these experiments. (authors)

  17. DVCS in the fragmentation region of polarized electron

    International Nuclear Information System (INIS)

    Akushevich, I.; Kuraev, E.A.; Nikolaev, N.N.

    2000-01-01

    For the kinematical region when a hard photon is emitted predominantly close to the direction of motion of a longitudinally polarized initial electron and relatively small momentum transfer to a proton we calculate the azimuthal asymmetry of a photon emission. It arises from the interference of the Bethe-Heitler amplitude and those which are described by a heavy photon impact factor. The azimuthal asymmetry does not decrease in the limit of infinite cms energy. The lowest order expression for the impact factor of a heavy photon is presented

  18. Polarization dependent effects in photo-fragmentation dynamics of free molecules

    International Nuclear Information System (INIS)

    Mocellin, A.; Marinho, R.R.T.; Coutinho, L.H.; Burmeister, F.; Wiesner, K.; Naves de Brito, A.

    2003-01-01

    We present multicoincidence spectra of nitrogen, formic acid and methyl methacrylate. We demonstrate how to probe the local symmetry of molecular orbitals from molecules core excited with linearly polarized synchrotron radiation. The intensity distribution of the photoelectron photo-ion photo-ion coincidence (PEPIPICO) spectrum reflects the selectivity and localization of core excitation by polarized light. By simulating the spectra the angular dependence of the fragmentation is determined

  19. Polarization dependent effects in photo-fragmentation dynamics of free molecules

    Energy Technology Data Exchange (ETDEWEB)

    Mocellin, A.; Marinho, R.R.T.; Coutinho, L.H.; Burmeister, F.; Wiesner, K.; Naves de Brito, A

    2003-04-01

    We present multicoincidence spectra of nitrogen, formic acid and methyl methacrylate. We demonstrate how to probe the local symmetry of molecular orbitals from molecules core excited with linearly polarized synchrotron radiation. The intensity distribution of the photoelectron photo-ion photo-ion coincidence (PEPIPICO) spectrum reflects the selectivity and localization of core excitation by polarized light. By simulating the spectra the angular dependence of the fragmentation is determined.

  20. Generation of Polar Semi-Saturated Bicyclic Pyrazoles for Fragment-Based Drug Discovery Campaigns.

    Science.gov (United States)

    Luise, Nicola; Wyatt, Paul

    2018-05-07

    Synthesising polar semi-saturated bicyclic heterocycles can lead to better starting points for fragment-based drug discovery (FBDD) programs. This communication highlights the application of diverse chemistry to construct bicyclic systems from a common intermediate, where pyrazole, a privileged heteroaromatic able to bind effectively to biological targets, is fused to diverse saturated counterparts. The generated fragments can be further developed either after confirmation of their binding pose or early in the process, as their synthetic intermediates. Essential quality control (QC) for selection of small molecules to add to a fragment library is discussed. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Spin polarization of 34Al fragments produced by nucleon pickup at intermediate energies

    International Nuclear Information System (INIS)

    Turzo, K.; Himpe, P.; Borremans, D.; Mallion, S.; Neyens, G.; Vermeulen, N.; Yordanov, D.; Balabanski, D.L.; Belier, G.; Daugas, J.M.; Georgiev, G.; Oliveira de Santos, F.; Matea, I.; Stodel, Ch.; Penionzhkevich, Yu. E.

    2006-01-01

    The polarization of 34 Al fragments, produced by single neutron pickup from a 9 Be target by a 36 S projectile at 77.5 MeV/nucleon, have been observed at GANIL via the detection of resonantly destroyed β-asymmetry. The reaction-induced polarization is deduced using a tentative spin/parity assignment for the 34 Al ground state. A positive polarization was measured near the peak of the 34 Al yield curve. A kinematical model based on the spectator-participant model for projectile fragmentation reactions has been extended in order to take into account the features of pickup reactions, i.e., the picked-up nucleon having an average momentum equal to the Fermi momentum and aligned along the incident beam direction. The trend-line in the observed spin-orientation is very well reproduced by this model

  2. Mapping Enzymatic Catalysis Using the Effective Fragment Molecular Orbital Method: Towards all ab initio Biochemistry

    DEFF Research Database (Denmark)

    Svendsen, Casper Steinmann; Jensen, Jan; Fedorov, Dmitri

    2013-01-01

    We extend the Effective Fragment Molecular Orbital (EFMO) method to the frozen domain approach where only the geometry of an active part is optimized, while the many-body polarization effects are considered for the whole system. The new approach efficiently mapped out the entire reaction path of ...

  3. The dual role of fragments in fragment-assembly methods for de novo protein structure prediction

    Science.gov (United States)

    Handl, Julia; Knowles, Joshua; Vernon, Robert; Baker, David; Lovell, Simon C.

    2013-01-01

    In fragment-assembly techniques for protein structure prediction, models of protein structure are assembled from fragments of known protein structures. This process is typically guided by a knowledge-based energy function and uses a heuristic optimization method. The fragments play two important roles in this process: they define the set of structural parameters available, and they also assume the role of the main variation operators that are used by the optimiser. Previous analysis has typically focused on the first of these roles. In particular, the relationship between local amino acid sequence and local protein structure has been studied by a range of authors. The correlation between the two has been shown to vary with the window length considered, and the results of these analyses have informed directly the choice of fragment length in state-of-the-art prediction techniques. Here, we focus on the second role of fragments and aim to determine the effect of fragment length from an optimization perspective. We use theoretical analyses to reveal how the size and structure of the search space changes as a function of insertion length. Furthermore, empirical analyses are used to explore additional ways in which the size of the fragment insertion influences the search both in a simulation model and for the fragment-assembly technique, Rosetta. PMID:22095594

  4. Extension of moment projection method to the fragmentation process

    International Nuclear Information System (INIS)

    Wu, Shaohua; Yapp, Edward K.Y.; Akroyd, Jethro; Mosbach, Sebastian; Xu, Rong; Yang, Wenming; Kraft, Markus

    2017-01-01

    The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated for particle inception, coagulation, growth and, more importantly, shrinkage; here the method is extended to include the fragmentation process. The performance of MPM is tested for 13 different test cases for different fragmentation kernels, fragment distribution functions and initial conditions. Comparisons are made with the quadrature method of moments (QMOM), hybrid method of moments (HMOM) and a high-precision stochastic solution calculated using the established direct simulation algorithm (DSA) and advantages of MPM are drawn.

  5. Extension of moment projection method to the fragmentation process

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Shaohua [Department of Mechanical Engineering, National University of Singapore, Engineering Block EA, Engineering Drive 1, 117576 (Singapore); Yapp, Edward K.Y.; Akroyd, Jethro; Mosbach, Sebastian [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge, CB2 3RA (United Kingdom); Xu, Rong [School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore); Yang, Wenming [Department of Mechanical Engineering, National University of Singapore, Engineering Block EA, Engineering Drive 1, 117576 (Singapore); Kraft, Markus, E-mail: mk306@cam.ac.uk [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge, CB2 3RA (United Kingdom); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, 637459 (Singapore)

    2017-04-15

    The method of moments is a simple but efficient method of solving the population balance equation which describes particle dynamics. Recently, the moment projection method (MPM) was proposed and validated for particle inception, coagulation, growth and, more importantly, shrinkage; here the method is extended to include the fragmentation process. The performance of MPM is tested for 13 different test cases for different fragmentation kernels, fragment distribution functions and initial conditions. Comparisons are made with the quadrature method of moments (QMOM), hybrid method of moments (HMOM) and a high-precision stochastic solution calculated using the established direct simulation algorithm (DSA) and advantages of MPM are drawn.

  6. Effective Fragment Potential Method for H-Bonding: How To Obtain Parameters for Nonrigid Fragments.

    Science.gov (United States)

    Dubinets, Nikita; Slipchenko, Lyudmila V

    2017-07-20

    Accuracy of the effective fragment potential (EFP) method was explored for describing intermolecular interaction energies in three dimers with strong H-bonded interactions, formic acid, formamide, and formamidine dimers, which are a part of HBC6 database of noncovalent interactions. Monomer geometries in these dimers change significantly as a function of intermonomer separation. Several EFP schemes were considered, in which fragment parameters were prepared for a fragment in its gas-phase geometry or recomputed for each unique fragment geometry. Additionally, a scheme in which gas-phase fragment parameters are shifted according to relaxed fragment geometries is introduced and tested. EFP data are compared against the coupled cluster with single, double, and perturbative triple excitations (CCSD(T)) method in a complete basis set (CBS) and the symmetry adapted perturbation theory (SAPT). All considered EFP schemes provide a good agreement with CCSD(T)/CBS for binding energies at equilibrium separations, with discrepancies not exceeding 2 kcal/mol. However, only the schemes that utilize relaxed fragment geometries remain qualitatively correct at shorter than equilibrium intermolecular distances. The EFP scheme with shifted parameters behaves quantitatively similar to the scheme in which parameters are recomputed for each monomer geometry and thus is recommended as a computationally efficient approach for large-scale EFP simulations of flexible systems.

  7. Bootstrap embedding: An internally consistent fragment-based method

    Energy Technology Data Exchange (ETDEWEB)

    Welborn, Matthew; Tsuchimochi, Takashi; Van Voorhis, Troy [Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

    2016-08-21

    Strong correlation poses a difficult problem for electronic structure theory, with computational cost scaling quickly with system size. Fragment embedding is an attractive approach to this problem. By dividing a large complicated system into smaller manageable fragments “embedded” in an approximate description of the rest of the system, we can hope to ameliorate the steep cost of correlated calculations. While appealing, these methods often converge slowly with fragment size because of small errors at the boundary between fragment and bath. We describe a new electronic embedding method, dubbed “Bootstrap Embedding,” a self-consistent wavefunction-in-wavefunction embedding theory that uses overlapping fragments to improve the description of fragment edges. We apply this method to the one dimensional Hubbard model and a translationally asymmetric variant, and find that it performs very well for energies and populations. We find Bootstrap Embedding converges rapidly with embedded fragment size, overcoming the surface-area-to-volume-ratio error typical of many embedding methods. We anticipate that this method may lead to a low-scaling, high accuracy treatment of electron correlation in large molecular systems.

  8. Reconstruction of Banknote Fragments Based on Keypoint Matching Method.

    Science.gov (United States)

    Gwo, Chih-Ying; Wei, Chia-Hung; Li, Yue; Chiu, Nan-Hsing

    2015-07-01

    Banknotes may be shredded by a scrap machine, ripped up by hand, or damaged in accidents. This study proposes an image registration method for reconstruction of multiple sheets of banknotes. The proposed method first constructs different scale spaces to identify keypoints in the underlying banknote fragments. Next, the features of those keypoints are extracted to represent their local patterns around keypoints. Then, similarity is computed to find the keypoint pairs between the fragment and the reference banknote. The banknote fragments can determine the coordinate and amend the orientation. Finally, an assembly strategy is proposed to piece multiple sheets of banknote fragments together. Experimental results show that the proposed method causes, on average, a deviation of 0.12457 ± 0.12810° for each fragment while the SIFT method deviates 1.16893 ± 2.35254° on average. The proposed method not only reconstructs the banknotes but also decreases the computing cost. Furthermore, the proposed method can estimate relatively precisely the orientation of the banknote fragments to assemble. © 2015 American Academy of Forensic Sciences.

  9. Research on Splicing Method of Digital Relic Fragment Model

    Science.gov (United States)

    Yan, X.; Hu, Y.; Hou, M.

    2018-04-01

    In the course of archaeological excavation, a large number of pieces of cultural relics were unearthed, and the restoration of these fragments was done manually by traditional arts and crafts experts. In this process, cultural relics experts often try to splice the existing cultural relics, and then use adhesive to stick together the fragments of correct location, which will cause irreversible secondary damage to cultural relics. In order to minimize such damage, the surveyors combine 3D laser scanning with computer technology, and use the method of establishing digital cultural relics fragments model to make virtual splicing of cultural relics. The 3D software on the common market can basically achieve the model translation and rotation, using this two functions can be achieved manually splicing between models, mosaic records after the completion of the specific location of each piece of fragments, so as to effectively reduce the damage to the relics had tried splicing process.

  10. Fragmentation of polarized 23Na on 208Pb and the random-walk model

    International Nuclear Information System (INIS)

    Clarke, N.M.; Karban, O.; Blyth, C.O.; Choi, H.D.; Hall, S.J.; Roman, S.; Tungate, G.; Cole, A.J.; Davis, N.J.; Shotter, A.C.; Connell, K.A.

    1993-01-01

    Inclusive measurements are presented for the differential cross sections and tensor analyzing powers ( TT 20 and T 20 ) of ions produced by the fragmentation of a beam of polarized 23 Na incident on a 208 Pb target at an energy of 195.5 MeV (8.5 MeV/nucleon). The data are discussed in terms of a simple ''shape-effect'' model, and compared to the predictions of the nuclear random-walk model which has been extended to the calculation of aligned, deformed projectiles. This model reproduces the principal features of the differential cross sections and the trends as a function of mass loss, but gives poorer agreement for the analyzing powers

  11. Relativistic polarized deuteron fragmentation into protons as test of six-quark nature of deuteron at small distances

    International Nuclear Information System (INIS)

    Kobushkin, A.P.; Vizireva, L.

    1981-01-01

    A study of the nature of the short-range few-nucleon correlations in nuclei is proposed in the polarized high-energy deuteron fragmentation experiments. The presence of 6q-state in deuteron with probability of several percents is shown to change essentially the cross-section behaviour of this process in the momentum region where the fraction of the deuteron momentum carried out by proton in the infinite momentum frame is about 0.78. It is shown how the character of the cross-section of the transverse polarized deuteron fragmentation is changed depending on the parameters of 6q-admixure in deuteron [ru

  12. The effective fragment molecular orbital method for fragments connected by covalent bonds.

    Directory of Open Access Journals (Sweden)

    Casper Steinmann

    Full Text Available We extend the effective fragment molecular orbital method (EFMO into treating fragments connected by covalent bonds. The accuracy of EFMO is compared to FMO and conventional ab initio electronic structure methods for polypeptides including proteins. Errors in energy for RHF and MP2 are within 2 kcal/mol for neutral polypeptides and 6 kcal/mol for charged polypeptides similar to FMO but obtained two to five times faster. For proteins, the errors are also within a few kcal/mol of the FMO results. We developed both the RHF and MP2 gradient for EFMO. Compared to ab initio, the EFMO optimized structures had an RMSD of 0.40 and 0.44 Å for RHF and MP2, respectively.

  13. Dihadron fragmentation functions in the quark-jet model: Transversely polarized quarks

    Science.gov (United States)

    Matevosyan, Hrayr H.; Kotzinian, Aram; Thomas, Anthony W.

    2018-01-01

    Within the most recent extension of the quark-jet hadronization framework, we explore the transverse-polarization-dependent dihadron fragmentation functions (DiFFs) H1∢ and H1⊥ of a quark into π+π- pairs. Monte Carlo (MC) simulations are employed to model polarized quark hadronization and calculate the corresponding number densities. These, in turn, are used to extract the Fourier cosine moments of the DiFFs H1∢ and H1⊥. A notable finding is that there are previously unnoticed apparent discrepancies between the definitions of the so-called interference DiFF (IFF) H1∢ , entering the cross sections for two-hadron semi-inclusive electroproduction, and those involved in the production of two pairs of hadrons from back-to-back jets in electron-positron annihilation. This manuscript completes the studies of all four leading-twist DiFFs for unpolarized hadron pairs within the quark-jet framework, following our previous work on the helicity-dependent DiFF G1⊥.

  14. Analysis methods for Kevlar shield response to rotor fragments

    Science.gov (United States)

    Gerstle, J. H.

    1977-01-01

    Several empirical and analytical approaches to rotor burst shield sizing are compared and principal differences in metal and fabric dynamic behavior are discussed. The application of transient structural response computer programs to predict Kevlar containment limits is described. For preliminary shield sizing, present analytical methods are useful if insufficient test data for empirical modeling are available. To provide other information useful for engineering design, analytical methods require further developments in material characterization, failure criteria, loads definition, and post-impact fragment trajectory prediction.

  15. Dual-polarized feed antenna apparatus and method of use

    Science.gov (United States)

    Sarehraz, Mohammed (Inventor); Buckle, Kenneth A. (Inventor); Stefanakos, Elias (Inventor); Weller, Thomas (Inventor); Goswami, D. Yogi (Inventor)

    2009-01-01

    An antenna apparatus and method for the interception of randomly polarized electromagnetic waves utilizing a dual polarized antenna which is excited through a cross-slot aperture using two well-isolated orthogonal feeds.

  16. POLARIZATION REMOTE SENSING PHYSICAL MECHANISM, KEY METHODS AND APPLICATION

    Directory of Open Access Journals (Sweden)

    B. Yang

    2017-09-01

    Full Text Available China's long-term planning major projects "high-resolution earth observation system" has been invested nearly 100 billion and the satellites will reach 100 to 2020. As to 2/3 of China's area covered by mountains,it has a higher demand for remote sensing. In addition to light intensity, frequency, phase, polarization is also the main physical characteristics of remote sensing electromagnetic waves. Polarization is an important component of the reflected information from the surface and the atmospheric information, and the polarization effect of the ground object reflection is the basis of the observation of polarization remote sensing. Therefore, the effect of eliminating the polarization effect is very important for remote sensing applications. The main innovations of this paper is as follows: (1 Remote sensing observation method. It is theoretically deduced and verified that the polarization can weaken the light in the strong light region, and then provide the polarization effective information. In turn, the polarization in the low light region can strengthen the weak light, the same can be obtained polarization effective information. (2 Polarization effect of vegetation. By analyzing the structure characteristics of vegetation, polarization information is obtained, then the vegetation structure information directly affects the absorption of biochemical components of leaves. (3 Atmospheric polarization neutral point observation method. It is proved to be effective to achieve the ground-gas separation, which can achieve the effect of eliminating the atmospheric polarization effect and enhancing the polarization effect of the object.

  17. High molecular weight non-polar hydrocarbons as pure model substances and in motor oil samples can be ionized without fragmentation by atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Hourani, Nadim; Kuhnert, Nikolai

    2012-10-15

    High molecular weight non-polar hydrocarbons are still difficult to detect by mass spectrometry. Although several studies have targeted this problem, lack of good self-ionization has limited the ability of mass spectrometry to examine these hydrocarbons. Failure to control ion generation in the atmospheric pressure chemical ionization (APCI) source hampers the detection of intact stable gas-phase ions of non-polar hydrocarbon in mass spectrometry. Seventeen non-volatile non-polar hydrocarbons, reported to be difficult to ionize, were examined by an optimized APCI methodology using nitrogen as the reagent gas. All these analytes were successfully ionized as abundant and intact stable [M-H](+) ions without the use of any derivatization or adduct chemistry and without significant fragmentation. Application of the method to real-life hydrocarbon mixtures like light shredder waste and car motor oil was demonstrated. Despite numerous reports to the contrary, it is possible to ionize high molecular weight non-polar hydrocarbons by APCI, omitting the use of additives. This finding represents a significant step towards extending the applicability of mass spectrometry to non-polar hydrocarbon analyses in crude oil, petrochemical products, waste or food. Copyright © 2012 John Wiley & Sons, Ltd.

  18. Polarized atomic orbitals for linear scaling methods

    Science.gov (United States)

    Berghold, Gerd; Parrinello, Michele; Hutter, Jürg

    2002-02-01

    We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.

  19. Polarizing matter and antimatter: A new method

    International Nuclear Information System (INIS)

    Onel, Y.

    1992-02-01

    Several years ago a self-polarization effect for stored (anti)- protons and ions was investigated theoretically. The effect is based on the well-known Stern-Gerlach effect in gradient fields. The aim of the ongoing measurements at the Indiana University Cyclotron Facility (IUCF) is to verify experimentally the various assumptions on which this effect is based. The final goal is to demonstrate this new polarization effect. The proposed effect could be a powerful tool to produce polarized stored hadron beams both in the low-energy range and at SSC and LHC energies. In this progress report we will describe our progress in three parts: (A) Experimental work at IUCF Cooler Ring; (B) Our extensive computer simulations of the spin stability for the IUCF Cooler Ring; and (C) Theoretical studies

  20. Polarization sensitive optical coherence tomography detection method

    International Nuclear Information System (INIS)

    Colston, B W; DaSilva, L B; Everett, M J; Featherstone, J D B; Fried, D; Ragadio, J N; Sathyam, U S.

    1999-01-01

    This study demonstrates the potential of polarization sensitive optical coherence tomography (PS-OCT) for non-invasive in vivo detection and characterization of early, incipient caries lesions. PS-OCT generates cross-sectional images of biological tissue while measuring the effect of the tissue on the polarization state of incident light. Clear discrimination between regions of normal and demineralized enamel is first shown in PS-OCT images of bovine enamel blocks containing well-characterized artificial lesions. High-resolution, cross-sectional images of extracted human teeth are then generated that clearly discriminate between the normal and carious regions on both the smooth and occlusal surfaces. Regions of the teeth that appeared to be demineralized in the PS-OCT images were verified using histological thin sections examined under polarized light microscopy. The PS-OCT system discriminates between normal and carious regions by measuring the polarization state of the back-scattered 1310 nm light, which is affected by the state of demineralization of the enamel. Demineralization of enamel increases the scattering coefficient, thus depolarizing the incident light. This study shows that PS-OCT has great potential for the detection, characterization, and monitoring of incipient caries lesions

  1. A Bionic Polarization Navigation Sensor and Its Calibration Method.

    Science.gov (United States)

    Zhao, Huijie; Xu, Wujian

    2016-08-03

    The polarization patterns of skylight which arise due to the scattering of sunlight in the atmosphere can be used by many insects for deriving compass information. Inspired by insects' polarized light compass, scientists have developed a new kind of navigation method. One of the key techniques in this method is the polarimetric sensor which is used to acquire direction information from skylight. In this paper, a polarization navigation sensor is proposed which imitates the working principles of the polarization vision systems of insects. We introduce the optical design and mathematical model of the sensor. In addition, a calibration method based on variable substitution and non-linear curve fitting is proposed. The results obtained from the outdoor experiments provide support for the feasibility and precision of the sensor. The sensor's signal processing can be well described using our mathematical model. A relatively high degree of accuracy in polarization measurement can be obtained without any error compensation.

  2. PolarTREC: Successful Methods and Tools for Attaining Broad Educational Impacts with Interdisciplinary Polar Science

    Science.gov (United States)

    Timm, K. M.; Warburton, J.; Owens, R.; Warnick, W. K.

    2008-12-01

    PolarTREC--Teachers and Researchers Exploring and Collaborating, a program of the Arctic Research Consortium of the U.S. (ARCUS), is a National Science Foundation (NSF)-funded International Polar Year (IPY) project in which K-12 educators participate in hands-on field experiences in the polar regions, working closely with IPY scientists as a pathway to improving science education. Developing long-term teacher- researcher collaborations through PolarTREC ensures up-to-date climate change science content will permeate the K-12 education system long after the IPY. By infusing education with the cutting edge science from the polar regions, PolarTREC has already shown an increase in student and public knowledge of and interest in the polar regions and global climate change. Preliminary evaluations have shown that PolarTREC's program activities have many positive impacts on educators and their ability to teach science concepts and improve their teaching methods. Additionally, K-12 students polled in interest surveys showed significant changes regarding the importance of understanding the polar regions as a person in today's world. Researchers have been overwhelmingly satisfied with PolarTREC and cited several specific strengths, including the program's crucial link between the teachers' field research experiences and their classroom and the extensive training provided to teachers prior to their expedition. This presentation will focus on other successful components of the PolarTREC program and how researchers and organizations might use these tools to reach out to the public for long-term impacts. Best practices include strategies for working with educators and the development of an internet-based platform for teachers and researchers to interact with the public, combining several communication tools such as online journals and forums, real-time Internet seminars, lesson plans, activities, audio, and other educational resources that address a broad range of scientific

  3. One directional polarized neutron reflectometry with optimized reference layer method

    International Nuclear Information System (INIS)

    Masoudi, S. Farhad; Jahromi, Saeed S.

    2012-01-01

    In the past decade, several neutron reflectometry methods for determining the modulus and phase of the complex reflection coefficient of an unknown multilayer thin film have been worked out among which the method of variation of surroundings and reference layers are of highest interest. These methods were later modified for measurement of the polarization of the reflected beam instead of the measurement of the intensities. In their new architecture, these methods not only suffered from the necessity of change of experimental setup but also another difficulty was added to their experimental implementations. This deficiency was related to the limitations of the technology of the neutron reflectometers that could only measure the polarization of the reflected neutrons in the same direction as the polarization of the incident beam. As the instruments are limited, the theory has to be optimized so that the experiment could be performed. In a recent work, we developed the method of variation of surroundings for one directional polarization analysis. In this new work, the method of reference layer with polarization analysis has been optimized to determine the phase and modulus of the unknown film with measurement of the polarization of the reflected neutrons in the same direction as the polarization of the incident beam.

  4. Global positioning method based on polarized light compass system

    Science.gov (United States)

    Liu, Jun; Yang, Jiangtao; Wang, Yubo; Tang, Jun; Shen, Chong

    2018-05-01

    This paper presents a global positioning method based on a polarized light compass system. A main limitation of polarization positioning is the environment such as weak and locally destroyed polarization environments, and the solution to the positioning problem is given in this paper which is polarization image de-noising and segmentation. Therefore, the pulse coupled neural network is employed for enhancing positioning performance. The prominent advantages of the present positioning technique are as follows: (i) compared to the existing position method based on polarized light, better sun tracking accuracy can be achieved and (ii) the robustness and accuracy of positioning under weak and locally destroyed polarization environments, such as cloudy or building shielding, are improved significantly. Finally, some field experiments are given to demonstrate the effectiveness and applicability of the proposed global positioning technique. The experiments have shown that our proposed method outperforms the conventional polarization positioning method, the real time longitude and latitude with accuracy up to 0.0461° and 0.0911°, respectively.

  5. A novel polarization demodulation method using polarization beam splitter (PBS) for dynamic pressure sensor

    Science.gov (United States)

    Su, Yang; Zhou, Hua; Wang, Yiming; Shen, Huiping

    2018-03-01

    In this paper we propose a new design to demodulate polarization properties induced by pressure using a PBS (polarization beam splitter), which is different with traditional polarimeter based on the 4-detector polarization measurement approach. The theoretical model is established by Muller matrix method. Experimental results confirm the validity of our analysis. Proportional relationships and linear fit are found between output signal and applied pressure. A maximum sensitivity of 0.092182 mv/mv is experimentally achieved and the frequency response exhibits a <0.14 dB variation across the measurement bandwidth. The sensitivity dependence on incident SOP (state of polarization) is investigated. The simple and all-fiber configuration, low-cost and high speed potential make it promising for fiber-based dynamic pressure sensing.

  6. Chiral retrieval method based on right circularly polarized and left circularly polarized waves

    International Nuclear Information System (INIS)

    Martín, Ernesto; Muñoz, Juan; Margineda, José; Molina-Cuberos, Gregorio J; García-Collado, Ángel J

    2014-01-01

    The free-wave characterization of metamaterials is usually carried out by illuminating a sample with a linearly polarized plane electromagnetic wave. At points before and after the sample, sensors are introduced to measure the transverse components of the field, in order to compute the reflection and transmission coefficients related with the co- and cross-polar field components. Based on this information, retrieval algorithms allow parameters like rotation angle, effective chirality and refraction index to be calculated. Here we propose to use the transmission signals under illumination with plane circularly polarized waves, without sensing the reflection signal, to calculate the chirality parameter and the rotation angle due to the electromagnetic activity of the material. This new method, which allows a simpler characterization of a chiral slab, is applied to the study of metamaterials composed of both periodic and random distributions of metallic structures with chiral symmetry. The experimental results are contrasted with simulations and alternative measurements obtained using linearly polarized waves. (paper)

  7. ψ(2S) and Υ(3S) hadroproduction in the parton Reggeization approach. Yield, polarization, and the role of fragmentation

    International Nuclear Information System (INIS)

    Kniehl, B.A.

    2016-09-01

    The hadroproduction of the radially excited heavy-quarkonium states ψ(2S) and Υ(3S) at high energies is studied in the parton Reggeization approach and the factorization formalism of nonrelativistic QCD at lowest order in the strong-coupling constant α_s and the relative heavy-quark velocity υ. A satisfactory description of the ψ(2S) transverse-momentum (p_T) distributions measured by ATLAS, CMS, and LHCb at center-of-mass energy √(S)=7 TeV is obtained using the color-octet long-distance matrix elements (LDMEs) extracted from CDF data at √(S)=1.96 TeV. The importance of the fragmentation mechanism and the scale evolution of the fragmentation functions in the upper p_T range, beyond 30 GeV, is demonstrated. The Υ(3S) p_T distributions measured by CDF at √(S)=1.8 TeV and by LHCb at √(S)=7 TeV and forward rapidities are well described using LDMEs fitted to ATLAS data at √(S)=7 TeV. Comparisons of polarization measurements by CDF and CMS at large p_T values with our predictions consolidate the familiar problem in the ψ(2S) case, but yield reasonable agreement in the Υ(3S) case.

  8. Method of measuring the polarization of high momentum proton beams

    International Nuclear Information System (INIS)

    Underwood, D.G.

    1976-01-01

    A method of measuring the polarization of high momentum proton beams is proposed. This method utilizes the Primakoff effect and relates asymmetries at high energy to large asymmetries already measured at low energy. Such a new method is essential for the success of future experiments at energies where present methods are no longer feasible

  9. Fragmentation of DNA affects the accuracy of the DNA quantitation by the commonly used methods

    Directory of Open Access Journals (Sweden)

    Sedlackova Tatiana

    2013-02-01

    Full Text Available Abstract Background Specific applications and modern technologies, like non-invasive prenatal testing, non-invasive cancer diagnostic and next generation sequencing, are currently in the focus of researchers worldwide. These have common characteristics in use of highly fragmented DNA molecules for analysis. Hence, for the performance of molecular methods, DNA concentration is a crucial parameter; we compared the influence of different levels of DNA fragmentation on the accuracy of DNA concentration measurements. Results In our comparison, the performance of the currently most commonly used methods for DNA concentration measurement (spectrophotometric, fluorometric and qPCR based were tested on artificially fragmented DNA samples. In our comparison, unfragmented and three specifically fragmented DNA samples were used. According to our results, the level of fragmentation did not influence the accuracy of spectrophotometric measurements of DNA concentration, while other methods, fluorometric as well as qPCR-based, were significantly influenced and a decrease in measured concentration was observed with more intensive DNA fragmentation. Conclusions Our study has confirmed that the level of fragmentation of DNA has significant impact on accuracy of DNA concentration measurement with two of three mostly used methods (PicoGreen and qPCR. Only spectrophotometric measurement was not influenced by the level of fragmentation, but sensitivity of this method was lowest among the three tested. Therefore if it is possible the DNA quantification should be performed with use of equally fragmented control DNA.

  10. ALIS-FLP: Amplified ligation selected fragment-length polymorphism method for microbial genotyping

    DEFF Research Database (Denmark)

    Brillowska-Dabrowska, A.; Wianecka, M.; Dabrowski, Slawomir

    2008-01-01

    A DNA fingerprinting method known as ALIS-FLP (amplified ligation selected fragment-length polymorphism) has been developed for selective and specific amplification of restriction fragments from TspRI restriction endonuclease digested genomic DNA. The method is similar to AFLP, but differs...

  11. Fragmentation of sperm DNA using the TUNEL method.

    Science.gov (United States)

    Chenlo, P H; Curi, S M; Pugliese, M N; Ariagno, J I; Sardi-Segovia, M; Furlan, M J; Repetto, H E; Zeitler, E; Cohen, M; Mendeluk, G R

    2014-11-01

    To establish the validity of the TUNEL assay in determining sperm DNA fragmentation, the relationship between the degree of fragmentation and the seminal parameters and the sample needed to conduct the test. We used semen samples from healthy fertile men (n=33), patients who consulted for infertility with a prescription for the TUNEL assay (n=77) and patients with intracytoplasmic sperm injection failure (n=20), analyzed according to the 2010 WHO. The TUNEL/propidium iodide test was performed by flow cytometry, on baseline and post-swim-up samples. The cutoff value for the TUNEL assay (ROC curves) was 26%, with a sensitivity and specificity of 85% and 89%, respectively. The pre-swim-up and post-swim-up medians of the results from the TUNEL assay showed no significant differences (17.0% vs. 12.9%, respectively). However, 39.1% of the samples showed a difference greater than 15 in absolute value between the results of the baseline and post-swim-up TUNEL assays. The linear correlation study of the morphology, mobility and vitality using the post-swim-up TUNEL assay showed a greater correlation than preselection, with significant results (r: -0.394, P<.0001; r: -0.461, P<.0001; r: -0.526, P<.0001). The TUNEL assay is a valid test for clinical use. DNA fragmentation is a factor independent from traditional semen tests. We found a greater susceptibility to damage generated in the laboratory procedures in the samples with lower quality. The sample of choice for evaluating DNA fragmentation will depend on whether the clinician is treating a natural or assisted fertilization. Copyright © 2014 AEU. Published by Elsevier Espana. All rights reserved.

  12. Polarization control method for UV writing of advanced bragg gratings

    DEFF Research Database (Denmark)

    Deyerl, Hans-Jürgen; Plougmann, Nikolai; Jensen, Jesper Bo Damm

    2002-01-01

    We report the application of the polarization control method for the UV writing of advanced fiber Bragg gratings (FBG). We demonstrate the strength of the new method for different apodization profiles, including the Sinc-profile and two designs for dispersion-free square filters. The method has...

  13. A novel x-ray circularly polarized ranging method

    International Nuclear Information System (INIS)

    Song Shi-Bin; Xu Lu-Ping; Zhang Hua; Shen Yang-He; Gao Na

    2015-01-01

    Range measurement has found multiple applications in deep space missions. With more and further deep space exploration activities happening now and in the future, the requirement for range measurement has risen. In view of the future ranging requirement, a novel x-ray polarized ranging method based on the circular polarization modulation is proposed, termed as x-ray circularly polarized ranging (XCPolR). XCPolR utilizes the circular polarization modulation to process x-ray signals and the ranging information is conveyed by the circular polarization states. As the circular polarization states present good stability in space propagation and x-ray detectors have light weight and low power consumption, XCPolR shows great potential in the long-distance range measurement and provides an option for future deep space ranging. In this paper, we present a detailed illustration of XCPolR. Firstly, the structure of the polarized ranging system is described and the signal models in the ranging process are established mathematically. Then, the main factors that affect the ranging accuracy, including the Doppler effect, the differential demodulation, and the correlation error, are analyzed theoretically. Finally, numerical simulation is carried out to evaluate the performance of XCPolR. (paper)

  14. Energy dependence of the asymmetry-violated space parity of fragment emission from the 239PU fission by slow polarized neutrons

    International Nuclear Information System (INIS)

    Val'skij, G.V.; Zvezdkina, T.K.; Nikolaev, D.V.; Petrova, V.I.; Petrov, G.A.; Petukhov, A.K.; Pleva, Yu.S.; Tyukavin, V.A.

    1982-01-01

    Asymmetry violating parity in the fragment emission from fission of 239 Pu induced by polarized neutrons at six energy points in the interval 0.01 <= E <0.3 eV was measured. The results providing with an evidence in favour of the hypothesis that the asymmetry is independent on energy are discussed in view of the existing theoretical picture

  15. Technique for Increasing the Selectivity of the Method of Laser Fragmentation/Laser-Induced Fluorescence

    Science.gov (United States)

    Bobrovnikov, S. M.; Gorlov, E. V.; Zharkov, V. I.

    2018-05-01

    A technique for increasing the selectivity of the method of detecting high-energy materials (HEMs) based on laser fragmentation of HEM molecules with subsequent laser excitation of fluorescence of the characteristic NO fragments from the first vibrational level of the ground state is suggested.

  16. A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

    DEFF Research Database (Denmark)

    Fidom, Kimberley; Isberg, Vignir; Hauser, Alexander Sebastian

    2015-01-01

    and receptor residue pairs, from crystal structure complexes. We describe the procedure to collect a library with more than 250 fragments covering 29 residue positions within the generic transmembrane binding pocket. We describe how the library fragments are recombined and inferred to build pharmacophores...... for new targets. A validating retrospective virtual screening of histamine H1 and H3 receptor pharmacophores yielded area-under-the-curves of 0.88 and 0.82, respectively. The fragment-based method has the unique advantage that it can be applied to targets for which no (homologous) crystal structures...... or ligands are known. 47% of the class A G protein-coupled receptors can be targeted with at least four-element pharmacophores. The fragment libraries can also be used to grow known ligands or for rotamer refinement of homology models. Researchers can download the complete fragment library or a subset...

  17. A method for the accurate determination of the polarization of a neutron beam using a polarized 3He spin filter

    International Nuclear Information System (INIS)

    Greene, G.L.; Thompson, A.K.; Dewey, M.S.

    1995-01-01

    A new method for the accurate determination of the degree of polarization of a neutron beam which has been polarized by transmission through a spin polarized 3 He cell is given. The method does not require the use of an analyzer or spin flipper nor does it require an accurate independent determination of the 3 He polarization. The method provides a continuous on-line determination of the neutron polarization. The method may be of use in the accurate determination of correlation coefficients in neutron beta decay which provide a test of the standard model for the electroweak interaction. The method may also provide an accurate procedure for the calibration of polarized 3 He targets used in medium and high energy scattering experiments. ((orig.))

  18. Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

    International Nuclear Information System (INIS)

    Lee, Kok Foong; Patterson, Robert I.A.; Wagner, Wolfgang; Kraft, Markus

    2015-01-01

    Graphical abstract: -- Highlights: •Problems concerning multi-compartment population balance equations are studied. •A class of fragmentation weight transfer functions is presented. •Three stochastic weighted algorithms are compared against the direct simulation algorithm. •The numerical errors of the stochastic solutions are assessed as a function of fragmentation rate. •The algorithms are applied to a multi-dimensional granulation model. -- Abstract: This paper introduces stochastic weighted particle algorithms for the solution of multi-compartment population balance equations. In particular, it presents a class of fragmentation weight transfer functions which are constructed such that the number of computational particles stays constant during fragmentation events. The weight transfer functions are constructed based on systems of weighted computational particles and each of it leads to a stochastic particle algorithm for the numerical treatment of population balance equations. Besides fragmentation, the algorithms also consider physical processes such as coagulation and the exchange of mass with the surroundings. The numerical properties of the algorithms are compared to the direct simulation algorithm and an existing method for the fragmentation of weighted particles. It is found that the new algorithms show better numerical performance over the two existing methods especially for systems with significant amount of large particles and high fragmentation rates.

  19. Stochastic weighted particle methods for population balance equations with coagulation, fragmentation and spatial inhomogeneity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Kok Foong [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom); Patterson, Robert I.A.; Wagner, Wolfgang [Weierstrass Institute for Applied Analysis and Stochastics, Mohrenstraße 39, 10117 Berlin (Germany); Kraft, Markus, E-mail: mk306@cam.ac.uk [Department of Chemical Engineering and Biotechnology, University of Cambridge, New Museums Site, Pembroke Street, Cambridge CB2 3RA (United Kingdom); School of Chemical and Biomedical Engineering, Nanyang Technological University, 62 Nanyang Drive, Singapore, 637459 (Singapore)

    2015-12-15

    Graphical abstract: -- Highlights: •Problems concerning multi-compartment population balance equations are studied. •A class of fragmentation weight transfer functions is presented. •Three stochastic weighted algorithms are compared against the direct simulation algorithm. •The numerical errors of the stochastic solutions are assessed as a function of fragmentation rate. •The algorithms are applied to a multi-dimensional granulation model. -- Abstract: This paper introduces stochastic weighted particle algorithms for the solution of multi-compartment population balance equations. In particular, it presents a class of fragmentation weight transfer functions which are constructed such that the number of computational particles stays constant during fragmentation events. The weight transfer functions are constructed based on systems of weighted computational particles and each of it leads to a stochastic particle algorithm for the numerical treatment of population balance equations. Besides fragmentation, the algorithms also consider physical processes such as coagulation and the exchange of mass with the surroundings. The numerical properties of the algorithms are compared to the direct simulation algorithm and an existing method for the fragmentation of weighted particles. It is found that the new algorithms show better numerical performance over the two existing methods especially for systems with significant amount of large particles and high fragmentation rates.

  20. An efficient method for isolating antibody fragments against small peptides by antibody phage display

    DEFF Research Database (Denmark)

    Duan, Zhi; Siegumfeldt, Henrik

    2010-01-01

    We generated monoclonal scFv (single chain variable fragment) antibodies from an antibody phage display library towards three small synthetic peptides derived from the sequence of s1-casein. Key difficulties for selection of scFv-phages against small peptides were addressed. Small peptides do....... The scFvs were sequenced and characterized, and specificity was characterized by ELISA. The methods developed in this study are universally applicable for antibody phage display to efficiently produce antibody fragments against small peptides....

  1. A novel x-ray circularly polarized ranging method

    Science.gov (United States)

    Song, Shi-Bin; Xu, Lu-Ping; Zhang, Hua; Gao, Na; Shen, Yang-He

    2015-05-01

    Range measurement has found multiple applications in deep space missions. With more and further deep space exploration activities happening now and in the future, the requirement for range measurement has risen. In view of the future ranging requirement, a novel x-ray polarized ranging method based on the circular polarization modulation is proposed, termed as x-ray circularly polarized ranging (XCPolR). XCPolR utilizes the circular polarization modulation to process x-ray signals and the ranging information is conveyed by the circular polarization states. As the circular polarization states present good stability in space propagation and x-ray detectors have light weight and low power consumption, XCPolR shows great potential in the long-distance range measurement and provides an option for future deep space ranging. In this paper, we present a detailed illustration of XCPolR. Firstly, the structure of the polarized ranging system is described and the signal models in the ranging process are established mathematically. Then, the main factors that affect the ranging accuracy, including the Doppler effect, the differential demodulation, and the correlation error, are analyzed theoretically. Finally, numerical simulation is carried out to evaluate the performance of XCPolR. Projects supported by the National Natural Science Foundation of China (Grant Nos. 61172138 and 61401340), the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2013JQ8040), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20130203120004), the Open Research Fund of the Academy of Satellite Application, China (Grant No. 2014 CXJJ-DH 12), the Xi’an Science and Technology Plan, China (Grant No. CXY1350(4)), the Fundamental Research Funds for the Central Universities, China (Grant Nos. 201413B, 201412B, and JB141303), and the Open Fund of Key Laboratory of Precision Navigation and Timing Technology, National Time Service Center, Chinese

  2. Ionization detector, electrode configuration and single polarity charge detection method

    Science.gov (United States)

    He, Z.

    1998-07-07

    An ionization detector, an electrode configuration and a single polarity charge detection method each utilize a boundary electrode which symmetrically surrounds first and second central interlaced and symmetrical electrodes. All of the electrodes are held at a voltage potential of a first polarity type. The first central electrode is held at a higher potential than the second central or boundary electrodes. By forming the first and second central electrodes in a substantially interlaced and symmetrical pattern and forming the boundary electrode symmetrically about the first and second central electrodes, signals generated by charge carriers are substantially of equal strength with respect to both of the central electrodes. The only significant difference in measured signal strength occurs when the charge carriers move to within close proximity of the first central electrode and are received at the first central electrode. The measured signals are then subtracted and compared to quantitatively measure the magnitude of the charge. 10 figs.

  3. Hot-stage microscopy for determination of API fragmentation: comparison with other methods.

    Science.gov (United States)

    Šimek, Michal; Grünwaldová, Veronika; Kratochvíl, Bohumil

    2016-08-01

    Although the fragmentation of the active pharmaceutical ingredient (API) is a phenomenon that is mentioned in many literature sources, no well-suited analytical tools for its investigation are currently known. We used the hot-stage microscopy method, already presented in our previous work, and studied the real fragmentation of the tadalafil particles in model tablets which were prepared under different compaction pressures. The morphology, spectral imaging and evaluation of plastic and elastic energies were also analyzed to support the hot-stage method. The prepared blend of tadalafil and excipients was compacted under a several forces from 5 to 35 kN to reveal the trend of fragmentation. The exact fragmentation of tadalafil with increased compaction pressure was revealed by the hot-stage microscopic method and it was in good agreement with plastic and elastic energies. Conversely, spectral imaging, which is being used for this analysis, was considered to be inaccurate methodology as mainly agglomerates, not individual particles, were measured. The availability of the hot-stage microscopic method equips pharmaceutical scientists with an in vitro assessment technique that will more reliably determine the fragmentation of the API in finished tablets and the behavior of the particles when compacted.

  4. Immobilization of Fab' fragments onto substrate surfaces: A survey of methods and applications.

    Science.gov (United States)

    Crivianu-Gaita, Victor; Thompson, Michael

    2015-08-15

    Antibody immobilization onto surfaces has widespread applications in many different fields. It is desirable to bind antibodies such that their fragment-antigen-binding (Fab) units are oriented away from the surface in order to maximize analyte binding. The immobilization of only Fab' fragments yields benefits over the more traditional whole antibody immobilization technique. Bound Fab' fragments display higher surface densities, yielding a higher binding capacity for the analyte. The nucleophilic sulfide of the Fab' fragments allows for specific orientations to be achieved. For biosensors, this indicates a higher sensitivity and lower detection limit for a target analyte. The last thirty years have shown tremendous progress in the immobilization of Fab' fragments onto gold, Si-based, polysaccharide-based, plastic-based, magnetic, and inorganic surfaces. This review will show the current scope of Fab' immobilization techniques available and illustrate methods employed to minimize non-specific adsorption of undesirables. Furthermore, a variety of examples will be given to show the versatility of immobilized Fab' fragments in different applications and future directions of the field will be addressed, especially regarding biosensors. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

    Directory of Open Access Journals (Sweden)

    Nicolas P. Tambellini

    2013-07-01

    Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

  6. Thermochemical Fragment Energy Method for Biomolecules: Application to a Collagen Model Peptide.

    Science.gov (United States)

    Suárez, Ernesto; Díaz, Natalia; Suárez, Dimas

    2009-06-09

    Herein, we first review different methodologies that have been proposed for computing the quantum mechanical (QM) energy and other molecular properties of large systems through a linear combination of subsystem (fragment) energies, which can be computed using conventional QM packages. Particularly, we emphasize the similarities among the different methods that can be considered as variants of the multibody expansion technique. Nevertheless, on the basis of thermochemical arguments, we propose yet another variant of the fragment energy methods, which could be useful for, and readily applicable to, biomolecules using either QM or hybrid quantum mechanical/molecular mechanics methods. The proposed computational scheme is applied to investigate the stability of a triple-helical collagen model peptide. To better address the actual applicability of the fragment QM method and to properly compare with experimental data, we compute average energies by carrying out single-point fragment QM calculations on structures generated by a classical molecular dynamics simulation. The QM calculations are done using a density functional level of theory combined with an implicit solvent model. Other free-energy terms such as attractive dispersion interactions or thermal contributions are included using molecular mechanics. The importance of correcting both the intermolecular and intramolecular basis set superposition error (BSSE) in the QM calculations is also discussed in detail. On the basis of the favorable comparison of our fragment-based energies with experimental data and former theoretical results, we conclude that the fragment QM energy strategy could be an interesting addition to the multimethod toolbox for biomolecular simulations in order to investigate those situations (e.g., interactions with metal clusters) that are beyond the range of applicability of common molecular mechanics methods.

  7. Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

    Science.gov (United States)

    Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

    2014-09-16

    Conspectus The development of more efficient and more accurate ways to represent reactive potential energy surfaces is a requirement for extending the simulation of large systems to more complex systems, longer-time dynamical processes, and more complete statistical mechanical sampling. One way to treat large systems is by direct dynamics fragment methods. Another way is by fitting system-specific analytic potential energy functions with methods adapted to large systems. Here we consider both approaches. First we consider three fragment methods that allow a given monomer to appear in more than one fragment. The first two approaches are the electrostatically embedded many-body (EE-MB) expansion and the electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), which we have shown to yield quite accurate results even when one restricts the calculations to include only electrostatically embedded dimers. The third fragment method is the electrostatically embedded molecular tailoring approach (EE-MTA), which is more flexible than EE-MB and EE-MB-CE. We show that electrostatic embedding greatly improves the accuracy of these approaches compared with the original unembedded approaches. Quantum mechanical fragment methods share with combined quantum mechanical/molecular mechanical (QM/MM) methods the need to treat a quantum mechanical fragment in the presence of the rest of the system, which is especially challenging for those parts of the rest of the system that are close to the boundary of the quantum mechanical fragment. This is a delicate matter even for fragments that are not covalently bonded to the rest of the system, but it becomes even more difficult when the boundary of the quantum mechanical fragment cuts a bond. We have developed a suite of methods for more realistically treating interactions across such boundaries. These methods include redistributing and balancing the external partial atomic charges and the use of tuned fluorine

  8. A method to calculate Stokes parameters and angle of polarization of skylight from polarized CIMEL sun/sky radiometers

    International Nuclear Information System (INIS)

    Li, L.; Li, Z.; Li, K.; Blarel, L.; Wendisch, M.

    2014-01-01

    The polarized CIMEL sun/sky radiometers have been routinely operated within the Sun/sky-radiometer Observation NETwork (SONET) in China and some sites of the AErosol RObotic NETwork (AERONET) around the world. However, the polarization measurements are not yet widely used due to in a certain degree the lack of Stokes parameters derived directly from these polarization measurements. Meanwhile, it have been shown that retrievals of several microphysical properties of aerosol particles can be significantly improved by using degree of linear polarization (DoLP) measurements of polarized CIMEL sun/sky radiometers (CE318-DP). The Stokes parameters Q and U, as well as angle of polarization (AoP) contain additional information about linear polarization and its orientation. A method to calculate Stokes parameters Q, U, and AoP from CE318-DP polarized skylight measurements is introduced in this study. A new polarized almucantar geometry based on CE318-DP is measured to illustrate abundant variation features of these parameters. The polarization parameters calculated in this study are consistent with previous results of DoLP and I, and also comparable to vector radiative transfer simulations. - Highlights: • The CE318-DP polarized measurements are not yet widely used except DoLP. • Compared with DoLP and I, difficulty in calculating Stokes Q and U is discussed. • A new polarized almucantar observation geometry based on CE318-DP is executed. • We derive Stokes Q, U, and AoP both in principal and almucantar plane geometries. • The results are comparable with previous DoLP and I, as well as model simulations

  9. The use of many-body expansions and geometry optimizations in fragment-based methods.

    Science.gov (United States)

    Fedorov, Dmitri G; Asada, Naoya; Nakanishi, Isao; Kitaura, Kazuo

    2014-09-16

    Conspectus Chemists routinely work with complex molecular systems: solutions, biochemical molecules, and amorphous and composite materials provide some typical examples. The questions one often asks are what are the driving forces for a chemical phenomenon? How reasonable are our views of chemical systems in terms of subunits, such as functional groups and individual molecules? How can one quantify the difference in physicochemical properties of functional units found in a different chemical environment? Are various effects on functional units in molecular systems additive? Can they be represented by pairwise potentials? Are there effects that cannot be represented in a simple picture of pairwise interactions? How can we obtain quantitative values for these effects? Many of these questions can be formulated in the language of many-body effects. They quantify the properties of subunits (fragments), referred to as one-body properties, pairwise interactions (two-body properties), couplings of two-body interactions described by three-body properties, and so on. By introducing the notion of fragments in the framework of quantum chemistry, one obtains two immense benefits: (a) chemists can finally relate to quantum chemistry, which now speaks their language, by discussing chemically interesting subunits and their interactions and (b) calculations become much faster due to a reduced computational scaling. For instance, the somewhat academic sounding question of the importance of three-body effects in water clusters is actually another way of asking how two hydrogen bonds affect each other, when they involve three water molecules. One aspect of this is the many-body charge transfer (CT), because the charge transfers in the two hydrogen bonds are coupled to each other (not independent). In this work, we provide a generalized view on the use of many-body expansions in fragment-based methods, focusing on the general aspects of the property expansion and a contraction of a

  10. Polarization methods for diode laser excitation of solid state lasers

    Science.gov (United States)

    Holtom, Gary R.

    2008-11-25

    A mode-locked laser employs a coupled-polarization scheme for efficient longitudinal pumping by reshaped laser diode bars. One or more dielectric polarizers are configured to reflect a pumping wavelength having a first polarization and to reflect a lasing wavelength having a second polarization. A Yb-doped gain medium can be used that absorbs light having a first polarization and emits light having a second polarization. Using such pumping with laser cavity dispersion control, pulse durations of less than 100 fs can be achieved.

  11. Versatile lipid profiling by liquid chromatography–high resolution mass spectrometry using all ion fragmentation and polarity switching. Preliminary application for serum samples phenotyping related to canine mammary cancer

    Energy Technology Data Exchange (ETDEWEB)

    Gallart-Ayala, H., E-mail: laberca@oniris-nantes.fr [LUNAM, Ecole Nationale Vétérinaire, Agroalimentaire et de l’Alimentation Nantes Atlantique (Oniris), USC 1329 INRA Laboratoire d’Etude des résidus et Contaminants dans les Aliments (LABERCA), Site de la Chantrerie – CS50707, 44307 Nantes cedex 3 (France); Courant, F.; Severe, S.; Antignac, J.-P. [LUNAM, Ecole Nationale Vétérinaire, Agroalimentaire et de l’Alimentation Nantes Atlantique (Oniris), USC 1329 INRA Laboratoire d’Etude des résidus et Contaminants dans les Aliments (LABERCA), Site de la Chantrerie – CS50707, 44307 Nantes cedex 3 (France); Morio, F.; Abadie, J. [LUNAM, Ecole Nationale Vétérinaire, Agroalimentaire et de l’Alimentation Nantes Atlantique (Oniris), Cancers Animaux, Modèles pour la Recherche en Oncologie Comparée (AMaROC), Site de la Chantrerie–CS50707, 44307 Nantes cedex 3 (France); Le Bizec, B. [LUNAM, Ecole Nationale Vétérinaire, Agroalimentaire et de l’Alimentation Nantes Atlantique (Oniris), USC 1329 INRA Laboratoire d’Etude des résidus et Contaminants dans les Aliments (LABERCA), Site de la Chantrerie – CS50707, 44307 Nantes cedex 3 (France)

    2013-09-24

    Graphical abstract: -- Highlights: •Lipidomics, high resolution mass spectrometry, polarity switching, serum, canine mammary cancer. -- Abstract: Lipids represent an extended class of substances characterized by such high variety and complexity that makes their unified analyses by liquid chromatography coupled to either high resolution or tandem mass spectrometry (LC–HRMS or LC–MS/MS) a real challenge. In the present study, a new versatile methodology associating ultra high performance liquid chromatography coupled to high resolution tandem mass spectrometry (UHPLC–HRMS/MS) have been developed for a comprehensive analysis of lipids. The use of polarity switching and “all ion fragmentation” (AIF) have been two action levels particularly exploited to finally permit the detection and identification of a multi-class and multi-analyte extended range of lipids in a single run. For identification purposes, both higher energy collision dissociation (HCD) and in-source CID (collision induced dissociation) fragmentation were evaluated in order to obtain information about the precursor and product ions in the same spectra. This approach provides both class-specific and lipid-specific fragments, enhancing lipid identification. Finally, the developed method was applied for differential phenotyping of serum samples collected from pet dogs developing spontaneous malignant mammary tumors and health controls. A biological signature associated with the presence of cancer was then successfully revealed from this lipidome analysis, which required to be further investigated and confirmed at larger scale.

  12. Versatile lipid profiling by liquid chromatography–high resolution mass spectrometry using all ion fragmentation and polarity switching. Preliminary application for serum samples phenotyping related to canine mammary cancer

    International Nuclear Information System (INIS)

    Gallart-Ayala, H.; Courant, F.; Severe, S.; Antignac, J.-P.; Morio, F.; Abadie, J.; Le Bizec, B.

    2013-01-01

    Graphical abstract: -- Highlights: •Lipidomics, high resolution mass spectrometry, polarity switching, serum, canine mammary cancer. -- Abstract: Lipids represent an extended class of substances characterized by such high variety and complexity that makes their unified analyses by liquid chromatography coupled to either high resolution or tandem mass spectrometry (LC–HRMS or LC–MS/MS) a real challenge. In the present study, a new versatile methodology associating ultra high performance liquid chromatography coupled to high resolution tandem mass spectrometry (UHPLC–HRMS/MS) have been developed for a comprehensive analysis of lipids. The use of polarity switching and “all ion fragmentation” (AIF) have been two action levels particularly exploited to finally permit the detection and identification of a multi-class and multi-analyte extended range of lipids in a single run. For identification purposes, both higher energy collision dissociation (HCD) and in-source CID (collision induced dissociation) fragmentation were evaluated in order to obtain information about the precursor and product ions in the same spectra. This approach provides both class-specific and lipid-specific fragments, enhancing lipid identification. Finally, the developed method was applied for differential phenotyping of serum samples collected from pet dogs developing spontaneous malignant mammary tumors and health controls. A biological signature associated with the presence of cancer was then successfully revealed from this lipidome analysis, which required to be further investigated and confirmed at larger scale

  13. On some methods to produce high-energy polarized electron beams by means of proton synchrotrons

    International Nuclear Information System (INIS)

    Bessonov, E.G.; Vazdik, Ya.A.

    1980-01-01

    Some methods of production of high-energy polarized electron beams by means of proton synchrotrons are considered. These methods are based on transfer by protons of a part of their energy to the polarized electrons of a thin target placed inside the working volume of the synchrotron. It is suggested to use as a polarized electron target a magnetized crystalline iron in which proton channeling is realized, polarized atomic beams and the polarized plasma. It is shown that by this method one can produce polarized electron beams with energy approximately 100 GeV, energy spread +- 5 % and intensity approximately 10 7 electron/c, polarization approximately 30% and with intensity approximately 10 4 -10 5 electron/c, polarization approximately 100% [ru

  14. Elaboration of a model of the nuclear fragmentation and application to the method of isotopic separation of projectile fragments

    International Nuclear Information System (INIS)

    Gaimard, J.J.

    1990-10-01

    In this thesis the experimental results on the cross sections for the production of 36 P in the fragmentation of 403 MeV/u 40 Ar on a carbon target are presented. Furthermore some models of the nuclear fragmentation are elaborated and compared by means of experimental data for the production of gold and cerium isotopes in the reaction 12 C+ 209 Bi at 400 MeV/u, of chlorine, sulfur, aluminium, magnesium, and oxygen isotopes in the reactions 40 Ar+ 12 C at 600 MeV/u and 48 Ca+ 9 Be at 212 MeV/u, and of cobalt, manganese, vanadium, and scandium isotopes together with the charge distributions for A=43 and A=44 in the reactions 40 Ar+ 64 Cu at 2 GeV/u and 56 Fe+ 12 C at 600 MeV/u. (HSI)

  15. Extended discrete-ordinate method considering full polarization state

    International Nuclear Information System (INIS)

    Box, Michael A.; Qin Yi

    2006-01-01

    This paper presents an extension to the standard discrete-ordinate method (DOM) to consider generalized sources including: beam sources which can be placed at any (vertical) position and illuminate in any direction, thermal emission from the atmosphere and angularly distributed sources which illuminate from a surface as continuous functions of zenith and azimuth angles. As special cases, the thermal emission from the surface and deep space can be implemented as angularly distributed sources. Analytical-particular solutions for all source types are derived using the infinite medium Green's function. Radiation field zenith angle interpolation using source function integration is developed for all source types. The development considers the full state of polarization, including the sources (as applicable) and the (BRDF) surface, but the development can be reduced easily to scalar problems and is ready to be implemented in a single set of code for both scalar and vector radiative transfer computation

  16. Extended discrete-ordinate method considering full polarization state

    Energy Technology Data Exchange (ETDEWEB)

    Box, Michael A. [School of Physics, University of New South Wales (Australia)]. E-mail: m.box@unsw.edu.au; Qin Yi [School of Physics, University of New South Wales (Australia)]. E-mail: yi.qin@csiro.au

    2006-01-15

    This paper presents an extension to the standard discrete-ordinate method (DOM) to consider generalized sources including: beam sources which can be placed at any (vertical) position and illuminate in any direction, thermal emission from the atmosphere and angularly distributed sources which illuminate from a surface as continuous functions of zenith and azimuth angles. As special cases, the thermal emission from the surface and deep space can be implemented as angularly distributed sources. Analytical-particular solutions for all source types are derived using the infinite medium Green's function. Radiation field zenith angle interpolation using source function integration is developed for all source types. The development considers the full state of polarization, including the sources (as applicable) and the (BRDF) surface, but the development can be reduced easily to scalar problems and is ready to be implemented in a single set of code for both scalar and vector radiative transfer computation.

  17. Versatile lipid profiling by liquid chromatography-high resolution mass spectrometry using all ion fragmentation and polarity switching. Preliminary application for serum samples phenotyping related to canine mammary cancer.

    Science.gov (United States)

    Gallart-Ayala, H; Courant, F; Severe, S; Antignac, J-P; Morio, F; Abadie, J; Le Bizec, B

    2013-09-24

    Lipids represent an extended class of substances characterized by such high variety and complexity that makes their unified analyses by liquid chromatography coupled to either high resolution or tandem mass spectrometry (LC-HRMS or LC-MS/MS) a real challenge. In the present study, a new versatile methodology associating ultra high performance liquid chromatography coupled to high resolution tandem mass spectrometry (UHPLC-HRMS/MS) have been developed for a comprehensive analysis of lipids. The use of polarity switching and "all ion fragmentation" (AIF) have been two action levels particularly exploited to finally permit the detection and identification of a multi-class and multi-analyte extended range of lipids in a single run. For identification purposes, both higher energy collision dissociation (HCD) and in-source CID (collision induced dissociation) fragmentation were evaluated in order to obtain information about the precursor and product ions in the same spectra. This approach provides both class-specific and lipid-specific fragments, enhancing lipid identification. Finally, the developed method was applied for differential phenotyping of serum samples collected from pet dogs developing spontaneous malignant mammary tumors and health controls. A biological signature associated with the presence of cancer was then successfully revealed from this lipidome analysis, which required to be further investigated and confirmed at larger scale. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. White blood cell fragments in platelet concentrates prepared by the platelet-rich plasma or buffy-coat methods

    NARCIS (Netherlands)

    Dijkstra-Tiekstra, M. J.; van der Schoot, C. E.; Pietersz, R. N. I.; Reesink, H. W.

    2005-01-01

    BACKGROUND AND OBJECTIVES: White blood cell (WBC) fragments in platelet concentrates (PCs) may induce allo-immunization in the recipient. MATERIALS AND METHODS: As the level of WBC fragments can differ between PCs produced using different methods, we compared PCs prepared by using the buffy-coat

  19. DIAGNOSTIC CHARACTERISTICS OF THE COMPUTER TESTS FORMED BY METHOD OF RESTORED FRAGMENTS

    Directory of Open Access Journals (Sweden)

    Oleksandr O. Petkov

    2013-03-01

    Full Text Available Definition of validity and reliability of tests which are formed by a method of restored fragments is considered in the article. The structure of the controlled theoretical material of limit field of knowledge, language expressions that describe the subject of control, and reliability of test, is analyzed. The technique of definition of the most important components of reliability of the considered tests is given: reliability of quantitative determination of coefficient of assimilation and technological reliability. Results of the lead pedagogical experiments have proved, that tests of the given class allow to make the control of mastering of a theoretical material over a level of reproduction in any field of knowledge with high reliability. It is shown, that validity tests with restored fragments basically caused by a degree of structurization and methodical study of a controllable material and can achieve beforehand set parameters, down to a level of absolute validity.

  20. Identification of Histamine H3 Receptor Ligands Using a New Crystal Structure Fragment-based Method

    DEFF Research Database (Denmark)

    Frandsen, Ida Osborn; Boesgaard, Michael W; Fidom, Kimberley

    2017-01-01

    Virtual screening offers an efficient alternative to high-throughput screening in the identification of pharmacological tools and lead compounds. Virtual screening is typically based on the matching of target structures or ligand pharmacophores to commercial or in-house compound catalogues....... The complete pharmacophore fragment library is freely available through the GPCR database, GPCRdb, allowing the successful application herein to be repeated for most of the 285 class A GPCR targets. The method could also easily be adapted to other protein families....

  1. DIAGNOSTIC CHARACTERISTICS OF THE COMPUTER TESTS FORMED BY METHOD OF RESTORED FRAGMENTS

    OpenAIRE

    Oleksandr O. Petkov

    2013-01-01

    Definition of validity and reliability of tests which are formed by a method of restored fragments is considered in the article. The structure of the controlled theoretical material of limit field of knowledge, language expressions that describe the subject of control, and reliability of test, is analyzed. The technique of definition of the most important components of reliability of the considered tests is given: reliability of quantitative determination of coefficient of assimilation and te...

  2. Inverse method for determining radon diffusion coefficient and free radon production rate of fragmented uranium ore

    International Nuclear Information System (INIS)

    Ye, Yong-jun; Wang, Li-heng; Ding, De-xin; Zhao, Ya-li; Fan, Nan-bin

    2014-01-01

    The radon diffusion coefficient and the free radon production rate are important parameters for describing radon migration in the fragmented uranium ore. In order to determine the two parameters, the pure diffusion migration equation for radon was firstly established and its analytic solution with the two parameters to be determined was derived. Then, a self manufactured experimental column was used to simulate the pure diffusion of the radon, the improved scintillation cell method was used to measure the pore radon concentrations at different depths of the column loaded with the fragmented uranium ore, and the nonlinear least square algorithm was used to inversely determine the radon diffusion coefficient and the free radon production rate. Finally, the solution with the two inversely determined parameters was used to predict the pore radon concentrations at some depths of the column, and the predicted results were compared with the measured results. The results show that the predicted results are in good agreement with the measured results and the numerical inverse method is applicable to the determination of the radon diffusion coefficient and the free radon production rate for the fragmented uranium ore. - Highlights: • Inverse method for determining two transport parameters of radon is proposed. • A self-made experimental apparatus is used to simulate radon diffusion process. • Sampling volume and position for measuring radon concentration are optimized. • The inverse results of an experimental sample are verified

  3. Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems.

    Science.gov (United States)

    Fujita, Takatoshi; Mochizuki, Yuji

    2018-04-19

    We developed the fragment-based method for calculating nonlocal excitations in large molecular systems. This method is based on the multilayer fragment molecular orbital method and the configuration interaction single (CIS) wave function using localized molecular orbitals. The excited-state wave function for the whole system is described as a superposition of configuration state functions (CSFs) for intrafragment excitations and for interfragment charge-transfer excitations. The formulation and calculations of singlet excited-state Hamiltonian matrix elements in the fragment CSFs are presented in detail. The efficient approximation schemes for calculating the matrix elements are also presented. The computational efficiency and the accuracy were evaluated using the molecular dimers and molecular aggregates. We confirmed that absolute errors of 50 meV (relative to the conventional calculations) are achievable for the molecular systems in their equilibrium geometries. The perturbative electron correlation correction to the CIS excitation energies is also demonstrated. The present theory can compute a large number of excited states in large molecular systems; in addition, it allows for the systematic derivation of a model exciton Hamiltonian. These features are useful for studying excited-state dynamics in condensed molecular systems based on the ab initio electronic structure theory.

  4. Evaluation of direct analysis in real time for the determination of highly polar pesticides in lettuce and celery using modified Quick Polar Pesticides Extraction method.

    Science.gov (United States)

    Lara, Francisco J; Chan, Danny; Dickinson, Michael; Lloyd, Antony S; Adams, Stuart J

    2017-05-05

    Direct analysis in real time (DART) was evaluated for the determination of a number of highly polar pesticides using the Quick Polar Pesticides Extraction (QuPPe) method. DART was hyphenated to high resolution mass spectrometry (HRMS) in order to get the required selectivity that allows the determination of these compounds in complex samples such as lettuce and celery. Experimental parameters such as desorption temperature, scanning speed, and distances between the DART ion source and MS inlet were optimized. Two different mass analyzers (Orbitrap and QTOF) and two accessories for sample introduction (Dip-it ® tips and QuickStrip™ sample cards) were evaluated. An extra clean-up step using primary-secondary amine (PSA) was included in the QuPPe method to improve sensitivity. The main limitation found was in-source fragmentation, nevertheless QuPPe-DART-HRMS proved to be a fast and reliable tool with quantitative capabilities for at least seven compounds: amitrole, cyromazine, propamocarb, melamine, diethanolamine, triethanolamine and 1,2,4-triazole. The limits of detection ranged from 20 to 60μg/kg. Recoveries for fortified samples ranged from 71 to 115%, with relative standard deviations <18%. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Method for universal detection of two-photon polarization entanglement

    Science.gov (United States)

    Bartkiewicz, Karol; Horodecki, Paweł; Lemr, Karel; Miranowicz, Adam; Życzkowski, Karol

    2015-03-01

    Detecting and quantifying quantum entanglement of a given unknown state poses problems that are fundamentally important for quantum information processing. Surprisingly, no direct (i.e., without quantum tomography) universal experimental implementation of a necessary and sufficient test of entanglement has been designed even for a general two-qubit state. Here we propose an experimental method for detecting a collective universal witness, which is a necessary and sufficient test of two-photon polarization entanglement. It allows us to detect entanglement for any two-qubit mixed state and to establish tight upper and lower bounds on its amount. A different element of this method is the sequential character of its main components, which allows us to obtain relatively complicated information about quantum correlations with the help of simple linear-optical elements. As such, this proposal realizes a universal two-qubit entanglement test within the present state of the art of quantum optics. We show the optimality of our setup with respect to the minimal number of measured quantities.

  6. Hypothesis-driven and field-validated method to prioritize fragmentation mitigation efforts in road projects.

    Science.gov (United States)

    Vanthomme, Hadrien; Kolowski, Joseph; Nzamba, Brave S; Alonso, Alfonso

    2015-10-01

    The active field of connectivity conservation has provided numerous methods to identify wildlife corridors with the aim of reducing the ecological effect of fragmentation. Nevertheless, these methods often rely on untested hypotheses of animal movements, usually fail to generate fine-scale predictions of road crossing sites, and do not allow managers to prioritize crossing sites for implementing road fragmentation mitigation measures. We propose a new method that addresses these limitations. We illustrate this method with data from southwestern Gabon (central Africa). We used stratified random transect surveys conducted in two seasons to model the distribution of African forest elephant (Loxodonta cyclotis), forest buffalo (Syncerus caffer nanus), and sitatunga (Tragelaphus spekii) in a mosaic landscape along a 38.5 km unpaved road scheduled for paving. Using a validation data set of recorded crossing locations, we evaluated the performance of three types of models (local suitability, local least-cost movement, and regional least-cost movement) in predicting actual road crossings for each species, and developed a unique and flexible scoring method for prioritizing road sections for the implementation of road fragmentation mitigation measures. With a data set collected in method was able to identify seasonal changes in animal movements for buffalo and sitatunga that shift from a local exploitation of the site in the wet season to movements through the study site in the dry season, whereas elephants use the entire study area in both seasons. These three species highlighted the need to use species- and season-specific modeling of movement. From these movement models, the method ranked road sections for their suitability for implementing fragmentation mitigation efforts, allowing managers to adjust priority thresholds based on budgets and management goals. The method relies on data that can be obtained in a period compatible with environmental impact assessment

  7. Mechanical fragmentation of nuclear reactor fuel assemblies by the double cutting method

    International Nuclear Information System (INIS)

    Voitsekhovskii, B.V.; Istomin, V.L.; Mitrofanov, V.V.

    1995-01-01

    A method is described for cutting a spent fuel assembly with straight shears into pieces of a prescribed size. The method does not require separation of the casing and the lattices. The double cutting method is briefly described, and experiments designed for cutting BN-350 and VVER-440 fuel assemblies are outlined. The testing showed that the cutting method was suitable for mechanical polarization of fuel assemblies. The investigations led to the development of turnkey industrial equipment for cutting spent fuel assemblies of different geometries with a maximum size up to 170 mm. 6 refs., 8 figs., 1 tab

  8. Establish an automated flow injection ESI-MS method for the screening of fragment based libraries: Application to Hsp90.

    Science.gov (United States)

    Riccardi Sirtori, Federico; Caronni, Dannica; Colombo, Maristella; Dalvit, Claudio; Paolucci, Mauro; Regazzoni, Luca; Visco, Carlo; Fogliatto, Gianpaolo

    2015-08-30

    ESI-MS is a well established technique for the study of biopolymers (nucleic acids, proteins) and their non covalent adducts, due to its capacity to detect ligand-target complexes in the gas phase and allows inference of ligand-target binding in solution. In this article we used this approach to investigate the interaction of ligands to the Heat Shock Protein 90 (Hsp90). This enzyme is a molecular chaperone involved in the folding and maturation of several proteins which has been subjected in the last years to intensive drug discovery efforts due to its key role in cancer. In particular, reference compounds, with a broad range of dissociation constants from 40pM to 100μM, were tested to assess the reliability of ESI-MS for the study of protein-ligand complexes. A good agreement was found between the values measured with a fluorescence polarization displacement assay and those determined by mass spectrometry. After this validation step we describe the setup of a medium throughput screening method, based on ESI-MS, suitable to explore interactions of therapeutic relevance biopolymers with chemical libraries. Our approach is based on an automated flow injection ESI-MS method (AFI-MS) and has been applied to screen the Nerviano Medical Sciences proprietary fragment library of about 2000 fragments against Hsp90. In order to discard false positive hits and to discriminate those of them interacting with the N-terminal ATP binding site, competition experiments were performed using a reference inhibitor. Gratifyingly, this group of hits matches with the ligands previously identified by NMR FAXS techniques and confirmed by X-ray co-crystallization experiments. These results support the use of AFI-MS for the screening of medium size libraries, including libraries of small molecules with low affinity typically used in fragment based drug discovery. AFI-MS is a valid alternative to other techniques with the additional opportunities to identify compounds interacting with

  9. Fragmentation, Cost and Environmental Effects of Plaster Stemming Method for Blasting at A Basalt Quarry

    Science.gov (United States)

    Cevizci, Halim

    2014-10-01

    In this study, the plaster stemming application for blasting at a basalt quarry is studied. Drill cuttings are generally used in open pits and quarries as the most common stemming material since these are most readily available at blast sites. However, dry drill cuttings eject very easily from blastholes without offering much resistance to blast energy. The plaster stemming method has been found to be better than the drill cuttings stemming method due to increased confinement inside the hole and better utilization of blast explosive energy in the rock. The main advantage of the new stemming method is the reduction in the cost of blasting. At a basalt quarry, blasting costs per unit volume of rock were reduced to 15% by increasing burden and spacing distances. In addition, better fragmentation was obtained by using the plaster stemming method. Blast trials showed that plaster stemming produced finer material. In the same blast tests, +30 cm size fragments were reduced to 47.3% of the total, compared to 32.6% in the conventional method of drill cuttings stemming. With this method of stemming, vibration and air shock values increased slightly due to more blast energy being available for rock breakage but generally these increased values were small and stayed under the permitted limit for blast damage criteria unless measuring distance is too close.

  10. Many-body physics in two-component Bose–Einstein condensates in a cavity: fragmented superradiance and polarization

    Science.gov (United States)

    Lode, Axel U. J.; Diorico, Fritz S.; Wu, RuGway; Molignini, Paolo; Papariello, Luca; Lin, Rui; Lévêque, Camille; Exl, Lukas; Tsatsos, Marios C.; Chitra, R.; Mauser, Norbert J.

    2018-05-01

    We consider laser-pumped one-dimensional two-component bosons in a parabolic trap embedded in a high-finesse optical cavity. Above a threshold pump power, the photons that populate the cavity modify the effective atom trap and mediate a coupling between the two components of the Bose–Einstein condensate. We calculate the ground state of the laser-pumped system and find different stages of self-organization depending on the power of the laser. The modified potential and the laser-mediated coupling between the atomic components give rise to rich many-body physics: an increase of the pump power triggers a self-organization of the atoms while an even larger pump power causes correlations between the self-organized atoms—the BEC becomes fragmented and the reduced density matrix acquires multiple macroscopic eigenvalues. In this fragmented superradiant state, the atoms can no longer be described as two-level systems and the mapping of the system to the Dicke model breaks down.

  11. A Simplified, Low-Cost Method for Polarized Light Microscopy

    Science.gov (United States)

    Maude, Richard J.; Buapetch, Wanchana; Silamut, Kamolrat

    2009-01-01

    Malaria pigment is an intracellular inclusion body that appears in blood and tissue specimens on microscopic examination and can help in establishing the diagnosis of malaria. In simple light microscopy, it can be difficult to discern from cellular background and artifacts. It has long been known that if polarized light microscopy is used, malaria pigment can be much easier to distinguish. However, this technique is rarely used because of the need for a relatively costly polarization microscope. We describe a simple and economical technique to convert any standard light microscope suitable for examination of malaria films into a polarization microscope. PMID:19861611

  12. Dependence of black fragment azimuthal and projected angular distributions on polar angle in silicon-emulsion collisions at 4.5A GeV/c

    International Nuclear Information System (INIS)

    Liu Fuhu; Abd Allah, Nabil N.; Singh, B.K.

    2004-01-01

    The experimental results of dependence of black fragment azimuth (φ) and projected angle (ψ) distributions on polar angle θ in silicon-emulsion collisions at 4.5A GeV/c (the Dubna momentum) are reported. There are two regions of enhancement around φ=±90 deg. for different θ ranges. These enhancements are due to directed (v 1 ) and elliptic (v 2 ) flows. The v 1 and v 2 dependence of values on θ shows that the directed flow is weak and the elliptic flow is strong in these collisions. A multisource ideal gas model is used to describe the experimental results of dependence. The Monte Carlo calculated results are approximately in agreement with the experimental data

  13. Flow cytometric method for measuring chromatin fragmentation in fixed sperm from yellow perch (Perca flavescens).

    Science.gov (United States)

    Jenkins, J A; Draugelis-Dale, R O; Pinkney, A E; Iwanowicz, L R; Blazer, V S

    2015-03-15

    Declining harvests of yellow perch, Perca flavescens, in urbanized watersheds of Chesapeake Bay have prompted investigations of their reproductive fitness. The purpose of this study was to establish a flow cytometric technique for DNA analysis of fixed samples sent from the field to provide reliable gamete quality measurements. Similar to the sperm chromatin structure assay, measures were made on the susceptibility of nuclear DNA to acid-induced denaturation, but used fixed rather than live or thawed cells. Nuclei were best exposed to the acid treatment for 1 minute at 37 °C followed by the addition of cold (4 °C) propidium iodide staining solution before flow cytometry. The rationale for protocol development is presented graphically through cytograms. Field results collected in 2008 and 2009 revealed DNA fragmentation up to 14.5%. In 2008, DNA fragmentation from the more urbanized watersheds was significantly greater than from reference sites (P = 0.026) and in 2009, higher percentages of haploid testicular cells were noted from the less urbanized watersheds (P = 0.032) indicating better reproductive condition at sites with less urbanization. For both years, total and progressive live sperm motilities by computer-assisted sperm motion analysis ranged from 19.1% to 76.5%, being significantly higher at the less urbanized sites (P < 0.05). This flow cytometric method takes advantage of the propensity of fragmented DNA to be denatured under standard conditions, or 1 minute at 37 °C with 10% buffered formalin-fixed cells. The study of fixed sperm makes possible the restrospective investigation of germplasm fragmentation, spermatogenic ploidy patterns, and chromatin compaction levels from samples translocated over distance and time. The protocol provides an approach that can be modified for other species across taxa. Published by Elsevier Inc.

  14. Apparatus and methods for memory using in-plane polarization

    Science.gov (United States)

    Liu, Junwei; Chang, Kai; Ji, Shuai-Hua; Chen, Xi; Fu, Liang

    2018-05-01

    A memory device includes a semiconductor layer with an in-plane polarization component switchable between a first direction and a second direction. A writing electrode is employed to apply a writing voltage to the semiconductor layer to change the in-plane polarization component between the first direction and the second direction. A reading electrode is employed to apply a reading voltage to the semiconductor layer to measure a tunneling current substantially perpendicular to the polarization direction of the in-plane polarization component. The directions of the reading voltage and the writing voltage are substantially perpendicular to each other. Therefore, the reading process is non-destructive. Thin films (e.g., one unit cell thick) of ferroelectric material can be used in the memory device to increase the miniaturization of the device.

  15. Iterative Methods for the Non-LTE Transfer of Polarized Radiation: Resonance Line Polarization in One-dimensional Atmospheres

    Science.gov (United States)

    Trujillo Bueno, Javier; Manso Sainz, Rafael

    1999-05-01

    This paper shows how to generalize to non-LTE polarization transfer some operator splitting methods that were originally developed for solving unpolarized transfer problems. These are the Jacobi-based accelerated Λ-iteration (ALI) method of Olson, Auer, & Buchler and the iterative schemes based on Gauss-Seidel and successive overrelaxation (SOR) iteration of Trujillo Bueno and Fabiani Bendicho. The theoretical framework chosen for the formulation of polarization transfer problems is the quantum electrodynamics (QED) theory of Landi Degl'Innocenti, which specifies the excitation state of the atoms in terms of the irreducible tensor components of the atomic density matrix. This first paper establishes the grounds of our numerical approach to non-LTE polarization transfer by concentrating on the standard case of scattering line polarization in a gas of two-level atoms, including the Hanle effect due to a weak microturbulent and isotropic magnetic field. We begin demonstrating that the well-known Λ-iteration method leads to the self-consistent solution of this type of problem if one initializes using the ``exact'' solution corresponding to the unpolarized case. We show then how the above-mentioned splitting methods can be easily derived from this simple Λ-iteration scheme. We show that our SOR method is 10 times faster than the Jacobi-based ALI method, while our implementation of the Gauss-Seidel method is 4 times faster. These iterative schemes lead to the self-consistent solution independently of the chosen initialization. The convergence rate of these iterative methods is very high; they do not require either the construction or the inversion of any matrix, and the computing time per iteration is similar to that of the Λ-iteration method.

  16. Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

    Energy Technology Data Exchange (ETDEWEB)

    Hartman, Joshua D.; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu [Department of Chemistry, University of California, Riverside, California 92521 (United States); Monaco, Stephen; Schatschneider, Bohdan [The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456 (United States)

    2015-09-14

    We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

  17. Polarizing matter and antimatter: A new method. Final report

    International Nuclear Information System (INIS)

    Onel, Y.

    1994-12-01

    Several years ago a self-polarization effect for stored (anti-)protons and ions was investigated theoretically. The effect is based on the well-known Stern-Gerlach effect in gradient fields. The aim of the ongoing measurements at the Indiana University Cyclotron Facility (IUCF) is to verify experimentally the various assumptions on which this effect is based. The final goal is to demonstrate this new polarization effect. The proposed effect could be a powerful tool to produce polarized stored hadron beams both in the low-energy range and at SSC and LHC energies. In this progress report the authors will describe the progress in three parts: (A) experimental work at IUCF Cooler Ring; (B) the extensive computer simulations of the spin stability for the IUCF Cooler Ring; and (C) theoretical studies

  18. A feasibility study of the use of DNA fragmentation as a method for detecting irradiation of food

    International Nuclear Information System (INIS)

    Jones, J.L.; Bulford, B.B.

    1990-07-01

    The main conclusions of the study are: 1. Gamma-irradiation at doses of 1-10 kGy, as recommended for use in food irradiation, causes extensive fragmentation of DNA molecules. The degree of fragmentation increases with increasing doses of irradiation treatment. 2. Irradiation-induced DNA fragments can be rapidly separated from intact DNA using a simple ultra-filtration method. 3. The separated DNA fragments can be detected/quantified rapidly using the simple Invitrogen DNA DipStick procedure. Dot-blot assays based on probes to widely conserved genes (e.g. histone genes) may also prove of value, but will require further development. 4. As DNA is present in a wide range of foods, DNA fragmentation offers a potentially useful marker for the irradiation treatment of foods. The assay now requires assessment with DNA extracts of a variety of foods. (author)

  19. A novel method to discover fluoroquinolone antibiotic resistance (qnr genes in fragmented nucleotide sequences

    Directory of Open Access Journals (Sweden)

    Boulund Fredrik

    2012-12-01

    Full Text Available Abstract Background Broad-spectrum fluoroquinolone antibiotics are central in modern health care and are used to treat and prevent a wide range of bacterial infections. The recently discovered qnr genes provide a mechanism of resistance with the potential to rapidly spread between bacteria using horizontal gene transfer. As for many antibiotic resistance genes present in pathogens today, qnr genes are hypothesized to originate from environmental bacteria. The vast amount of data generated by shotgun metagenomics can therefore be used to explore the diversity of qnr genes in more detail. Results In this paper we describe a new method to identify qnr genes in nucleotide sequence data. We show, using cross-validation, that the method has a high statistical power of correctly classifying sequences from novel classes of qnr genes, even for fragments as short as 100 nucleotides. Based on sequences from public repositories, the method was able to identify all previously reported plasmid-mediated qnr genes. In addition, several fragments from novel putative qnr genes were identified in metagenomes. The method was also able to annotate 39 chromosomal variants of which 11 have previously not been reported in literature. Conclusions The method described in this paper significantly improves the sensitivity and specificity of identification and annotation of qnr genes in nucleotide sequence data. The predicted novel putative qnr genes in the metagenomic data support the hypothesis of a large and uncharacterized diversity within this family of resistance genes in environmental bacterial communities. An implementation of the method is freely available at http://bioinformatics.math.chalmers.se/qnr/.

  20. THE METHODS OF PRODUCING AND ANALYZING POLARIZED NEUTRON BEAMS FOR HYSPEC AT THE SNS

    International Nuclear Information System (INIS)

    SHAPIRO, S.M.; PASSELL, L.; ZALIZNYAK, A.; GHOSH, V.J.; LEONHARDT, W.L.; HAGEN, M.E.

    2005-01-01

    The Hybrid Spectrometer (HYSPEC), under construction at the SNS on beam line 14B, is the only inelastic scattering instrument designed to enable polarization of the incident and the scattered neutron beams. A Heusler monochromator will replace the graphite crystal for producing polarized neutrons. In the scattered beam it is planned to use a collimator--multi-channel supermirror bender array to analyze the polarization of the scattered beam over the final energy range from 5-20 meV. Other methods of polarization analysis under consideration such as transmission filters using He 3 , Sm, and polarized protons are considered. Their performance is estimated and a comparison of the various methods of polarization is made

  1. Composition and method for detecting cancer with technetium labeled antibody fragments

    International Nuclear Information System (INIS)

    Burchiel, S. W.; Crockford, D. R.; Rhodes, B. A.

    1984-01-01

    F(ab') 2 or Fab fragments of antibodies to: (a) human chorionic gonadotropin (hCG), hCG alpha subunit, hCG beta subunit, or an hCG-like material; or (b) other tumor specific or tumor associated molecules, to include carcinoembryonic antigen (CEA), alpha fetoprotein (AFP), human melanoma associated antigens, human sarcoma associated antigens or other antigens, are radiolabeled with technetium-99m (Tc-99m). When the F(ab') 2 or Fab fragments of antibody to such tumor associated antigens are injected intravenously into a patient, the radiolabeled composition accumulates at tumor sites. The accumulation of the cancer seeking radiopharmaceutical at tumor sites permits detection by external gamma scintigraphy. Thus, the composition is useful in the monitoring, localization and detection of cancer in the body. In an alternative composition, a double antibody approach to tumor localization using radiolabeled F(ab') 2 or Fab fragments is utilized. In this approach, a tumor specific antibody in the form of IgG, F(ab') 2 or Fab is first administered to a patient intravenously. Following a sufficient period of time, a second antibody in the form of F(ab') 2 or Fab is administered. The second antibody is radiolabeled with Tc-99m and has the property that it is reactive with the first antibody. This double antibody method has the advantage over a single antibody approach in that smaller tumors can be localized and detected and that the total amount of radioactive trace localized at the cancer site is increased

  2. A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments.

    Science.gov (United States)

    Sellers, Benjamin D; James, Natalie C; Gobbi, Alberto

    2017-06-26

    Reducing internal strain energy in small molecules is critical for designing potent drugs. Quantum mechanical (QM) and molecular mechanical (MM) methods are often used to estimate these energies. In an effort to determine which methods offer an optimal balance in accuracy and performance, we have carried out torsion scan analyses on 62 fragments. We compared nine QM and four MM methods to reference energies calculated at a higher level of theory: CCSD(T)/CBS single point energies (coupled cluster with single, double, and perturbative triple excitations at the complete basis set limit) calculated on optimized geometries using MP2/6-311+G**. The results show that both the more recent MP2.X perturbation method as well as MP2/CBS perform quite well. In addition, combining a Hartree-Fock geometry optimization with a MP2/CBS single point energy calculation offers a fast and accurate compromise when dispersion is not a key energy component. Among MM methods, the OPLS3 force field accurately reproduces CCSD(T)/CBS torsion energies on more test cases than the MMFF94s or Amber12:EHT force fields, which struggle with aryl-amide and aryl-aryl torsions. Using experimental conformations from the Cambridge Structural Database, we highlight three example structures for which OPLS3 significantly overestimates the strain. The energies and conformations presented should enable scientists to estimate the expected error for the methods described and we hope will spur further research into QM and MM methods.

  3. Novel method for the production of spin-aligned RI beams in projectile fragmentation reaction with the dispersion matching technique

    Energy Technology Data Exchange (ETDEWEB)

    Ichikawa, Y., E-mail: yuichikawa@phys.titech.ac.jp [Tokyo Institute of Technology, Department of Physics (Japan); Ueno, H. [RIKEN Nishina Center (Japan); Ishii, Y. [Tokyo Institute of Technology, Department of Physics (Japan); Furukawa, T. [Tokyo Metropolitan University, Department of Physics (Japan); Yoshimi, A. [Okayama University, Research Core for Extreme Quantum World (Japan); Kameda, D.; Watanabe, H.; Aoi, N. [RIKEN Nishina Center (Japan); Asahi, K. [Tokyo Institute of Technology, Department of Physics (Japan); Balabanski, D. L. [Bulgarian Academy of Sciences, Institute for Nuclear Research and Nuclear Energy (Bulgaria); Chevrier, R.; Daugas, J. M. [CEA, DAM, DIF (France); Fukuda, N. [RIKEN Nishina Center (Japan); Georgiev, G. [CSNSM, IN2P3-CNRS, Universite Paris-sud (France); Hayashi, H.; Iijima, H. [Tokyo Institute of Technology, Department of Physics (Japan); Inabe, N. [RIKEN Nishina Center (Japan); Inoue, T. [Tokyo Institute of Technology, Department of Physics (Japan); Ishihara, M.; Kubo, T. [RIKEN Nishina Center (Japan); and others

    2013-05-15

    A novel method to produce spin-aligned rare-isotope (RI) beam has been developed, that is the two-step projectile fragmentation method with a technique of dispersion matching. The present method was verified in an experiment at the RIKEN RIBF, where an RI beam of {sup 32}Al with spin alignment of 8(1) % was successfully produced from a primary beam of {sup 48}Ca, with {sup 33}Al as an intermediate nucleus. Figure of merit of the present method was found to be improved by a factor larger than 50 compared with a conventional method employing single-step projectile fragmentation.

  4. The optimal method for the measurement of tau polarization

    International Nuclear Information System (INIS)

    Davier, M.; Duflot, L.; Le Diberder, F.; Rouge, A.

    1992-12-01

    A variable is constructed for each τ decay channel which carries all the available information on the τ spin state. Its use allows a simple determination of the polarization with the maximal sensitivity for all final states. Further applications to the τ → α 1 ν channel are discussed, and it is shown that a sizeable improvement of the measurement can be achieved. (author) 14 refs., 2 figs., 1 tab

  5. A novel method for polarization squeezing with Photonic Crystal Fibers

    DEFF Research Database (Denmark)

    Milanovic, Josip; Lassen, Mikael Østergaard; Andersen, Ulrik Lund

    2010-01-01

    Photonic Crystal Fibers can be tailored to increase the effective Kerr nonlinearity, while producing smaller amounts of excess noise compared to standard silicon fibers. Using these features of Photonic Crystal Fibers we create polarization squeezed states with increased purity compared to standa...... Stokes parameter squeezing of −3.9 ±0.3dB and anti-squeezing of 16.2 ±0.3dB....

  6. A new polarized neutrons method for studying depth-inhomogeneously magnetized magnetic films

    International Nuclear Information System (INIS)

    Korneev, D.A.

    1990-01-01

    The main specific features of the process of polarized thermal neutrons specular reflection from the surface of depth-inhomogeneously magnetic films are considered theoretically. It is shown how using the method of specular reflection of polarized thermal neutrons from such a films surface, one may restore the depth distribution of the local magnetization vector M-vector(z). 9 refs

  7. The linearly scaling 3D fragment method for large scale electronic structure calculations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao Zhengji [National Energy Research Scientific Computing Center (NERSC) (United States); Meza, Juan; Shan Hongzhang; Strohmaier, Erich; Bailey, David; Wang Linwang [Computational Research Division, Lawrence Berkeley National Laboratory (United States); Lee, Byounghak, E-mail: ZZhao@lbl.go [Physics Department, Texas State University (United States)

    2009-07-01

    The linearly scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.

  8. An Alternative to Conventional Rock Fragmentation Methods Using SCDA: A Review

    Directory of Open Access Journals (Sweden)

    Radhika Vidanage De Silva

    2016-11-01

    Full Text Available Global energy and material consumption are expected to rise in exponential proportions during the next few decades, generating huge demands for deep earth energy (oil/gas recovery and mineral processing. Under such circumstances, the continuation of existing methods in rock fragmentation in such applications is questionable due to the proven adverse environmental impacts associated with them. In this regard; the possibility of using more environmentally friendly options as Soundless Chemical Demolition Agents (SCDAs play a vital role in replacing harmful conventional rock fragmentation techniques for gas; oil and mineral recovery. This study reviews up to date research on soundless cracking demolition agent (SCDA application on rock fracturing including its limitations and strengths, possible applications in the petroleum industry and the possibility of using existing rock fragmentation models for SCDA-based rock fragmentation; also known as fracking. Though the expansive properties of SCDAs are currently used in some demolition works, the poor usage guidelines available reflect the insufficient research carried out on its material’s behavior. SCDA is a cementitious powdery substance with quicklime (CaO as its primary ingredient that expands upon contact with water; which results in a huge expansive pressure if this CaO hydration reaction occurs in a confined condition. So, the mechanism can be used for rock fragmentation by injecting the SCDA into boreholes of a rock mass; where the resulting expansive pressure is sufficient to create an effective fracture network in the confined rock mass around the borehole. This expansive pressure development, however, dependent on many factors, where formation water content creates a negative influence on this due to required greater degree of hydration under greater water contents and temperature creates a positive influence by accelerating the reaction. Having a precise understanding of the fracture

  9. A three-dimensional polarization domain retrieval method from electron diffraction data

    International Nuclear Information System (INIS)

    Pennington, Robert S.; Koch, Christoph T.

    2015-01-01

    We present an algorithm for retrieving three-dimensional domains of picometer-scale shifts in atomic positions from electron diffraction data, and apply it to simulations of ferroelectric polarization in BaTiO 3 . Our algorithm successfully and correctly retrieves polarization domains in which the Ti atom positions differ by less than 3 pm (0.4% of the unit cell diagonal distance) with 5 and 10 nm depth resolution along the beam direction, and we also retrieve unit cell strain, corresponding to tetragonal-to-cubic unit cell distortions, for 10 nm domains. Experimental applicability is also discussed. - Highlights: • We show a retrieval method for ferroelectric polarization from TEM diffraction data. • Simulated strain and polarization variations along the beam direction are retrieved. • This method can be used for 3D strain and polarization mapping without specimen tilt

  10. Determination of fragment orbitals and LCFO MO's in semiempirical methods with overlap matrices

    International Nuclear Information System (INIS)

    Konstantinavicius, K.V.; Lazauskas, V.M.

    1988-01-01

    We propose a technique for a fragment stage solution of the Roothaan equations, allowing us to obtain fragment orbitals (FO's) and to form molecular orbitals (LCFO MO'S) for the molecule from them. As an example, in the Mulliken-Wolfsberg-Helmholtz (MWH) approximation we obtain the orbitals for fragments of the simplest hydrocarbon molecules and we compare them with the FO's found in the CNDO/2 approximation. We discuss the possibilities in perturbation theory for joining the fragments and for study of the properties of the molecules in the FO basis

  11. Predicting Flavin and Nicotinamide Adenine Dinucleotide-Binding Sites in Proteins Using the Fragment Transformation Method

    Directory of Open Access Journals (Sweden)

    Chih-Hao Lu

    2015-01-01

    Full Text Available We developed a computational method to identify NAD- and FAD-binding sites in proteins. First, we extracted from the Protein Data Bank structures of proteins that bind to at least one of these ligands. NAD-/FAD-binding residue templates were then constructed by identifying binding residues through the ligand-binding database BioLiP. The fragment transformation method was used to identify structures within query proteins that resembled the ligand-binding templates. By comparing residue types and their relative spatial positions, potential binding sites were identified and a ligand-binding potential for each residue was calculated. Setting the false positive rate at 5%, our method predicted NAD- and FAD-binding sites at true positive rates of 67.1% and 68.4%, respectively. Our method provides excellent results for identifying FAD- and NAD-binding sites in proteins, and the most important is that the requirement of conservation of residue types and local structures in the FAD- and NAD-binding sites can be verified.

  12. Proposed method to produce a highly polarized e+ beam for future linear colliders

    International Nuclear Information System (INIS)

    Okugi, Toshiyuki; Chiba, Masami; Kurihara, Yoshimasa

    1996-01-01

    We propose a method to produce a spin-polarized e + beam using e + e - pair-creation by circularly polarized photons. Assuming Compton scattering of an unpolarized e - beam and circularly polarized laser light, scattered γ-rays at the high end of the energy spectrum are also circularly polarized. If those γ-rays are utilized to create e ± pairs on a thin target, the spin-polarization is preserved for e + 's at the high end of their energy spectrum. By using the injector linac of Accelerator Test Facility at KEK and a commercially available Nd:YAG pulse laser, we can expect about 10 5 polarized e + 's per second with a degree of polarization of 80% and a kinetic energy of 35-80 MeV. The apparatus for creation and measurement of polarized e + 's is being constructed. We present new idea for possible application of our method to future linear colliders by utilizing a high-power CO 2 laser. (author)

  13. Polarization, motion, and fragmentation. Exploring the role of quarks in the nucleon through semi-inclusive longitudinal spin asymmetries at HERMES

    International Nuclear Information System (INIS)

    Rubin, Joshua George

    2009-11-01

    The motivation for this work was to improve upon prior analyses that extracted the quark helicity distributions, Δ(x), of the proton. Chapter 4 contains several new double-spin asymmetries which are results in their own right. The ph? dependence is plotted for the first time with HERMES data which is uniquely hadron separated. The hadron charge difference asymmetry is presented which, in combination with the quark helicity densities can put limits on fragmentation symmetry breaking in semi-inclusive DIS. Additionally, a novel method of unfolding yields (reducing smearing effects from detector resolution limitations and QED radiation) was developed and presented here for the first time which potentially allows new kinds of asymmetries to be constructed which were unavailable before. Also, this chapter describes the method by which the first ever three dimensionally binned SIDIS double-spin asymmetries were produced. These asymmetries, which will be used as the data inputs for the Δ(x) extraction, are valuable inputs to world fits being performed by theorists. Chapter 5 further explores this idea of fragmentation symmetry breaking with Monte Carlo studies of fragmentation functions. These studies test assumptions which are frequently made in the interpretation of asymmetries like the hadron charge difference of the prior chapter and suggest that these assumptions should be approached with some caution. Also, a technique for tuning and more importantly propagating systematic uncertainty through non-analytic Monte Carlo models, like the Lund-String model which provides an essential input to the Δ(x) extraction, is developed (orig.)

  14. Polarization, motion, and fragmentation. Exploring the role of quarks in the nucleon through semi-inclusive longitudinal spin asymmetries at HERMES

    Energy Technology Data Exchange (ETDEWEB)

    Rubin, Joshua George

    2009-11-15

    The motivation for this work was to improve upon prior analyses that extracted the quark helicity distributions, {delta}(x), of the proton. Chapter 4 contains several new double-spin asymmetries which are results in their own right. The ph? dependence is plotted for the first time with HERMES data which is uniquely hadron separated. The hadron charge difference asymmetry is presented which, in combination with the quark helicity densities can put limits on fragmentation symmetry breaking in semi-inclusive DIS. Additionally, a novel method of unfolding yields (reducing smearing effects from detector resolution limitations and QED radiation) was developed and presented here for the first time which potentially allows new kinds of asymmetries to be constructed which were unavailable before. Also, this chapter describes the method by which the first ever three dimensionally binned SIDIS double-spin asymmetries were produced. These asymmetries, which will be used as the data inputs for the {delta}(x) extraction, are valuable inputs to world fits being performed by theorists. Chapter 5 further explores this idea of fragmentation symmetry breaking with Monte Carlo studies of fragmentation functions. These studies test assumptions which are frequently made in the interpretation of asymmetries like the hadron charge difference of the prior chapter and suggest that these assumptions should be approached with some caution. Also, a technique for tuning and more importantly propagating systematic uncertainty through non-analytic Monte Carlo models, like the Lund-String model which provides an essential input to the {delta}(x) extraction, is developed (orig.)

  15. [Progress in sample preparation and analytical methods for trace polar small molecules in complex samples].

    Science.gov (United States)

    Zhang, Qianchun; Luo, Xialin; Li, Gongke; Xiao, Xiaohua

    2015-09-01

    Small polar molecules such as nucleosides, amines, amino acids are important analytes in biological, food, environmental, and other fields. It is necessary to develop efficient sample preparation and sensitive analytical methods for rapid analysis of these polar small molecules in complex matrices. Some typical materials in sample preparation, including silica, polymer, carbon, boric acid and so on, are introduced in this paper. Meanwhile, the applications and developments of analytical methods of polar small molecules, such as reversed-phase liquid chromatography, hydrophilic interaction chromatography, etc., are also reviewed.

  16. Some Remarks on Methods of QCD Analysis of Polarized DIS Data

    CERN Document Server

    Leader, Elliot; Stamenov, Dimiter B

    2009-01-01

    The results on polarized parton densities (PDFs) obtained using different methods of QCD analysis of the present polarized DIS data are discussed. Their dependence on the method used in the analysis, accounting or not for the kinematic and dynamic 1/Q^2 corrections to spin structure function g_1, is demonstrated. It is pointed out that the precise data in the preasymptotic region require a more careful matching of the QCD predictions to the data in this region in order to determine the polarized PDFs correctly.

  17. BACKWARD AND FORWARD MONTE CARLO METHOD IN POLARIZED RADIATIVE TRANSFER

    Energy Technology Data Exchange (ETDEWEB)

    Yong, Huang; Guo-Dong, Shi; Ke-Yong, Zhu, E-mail: huangy_zl@263.net [School of Aeronautical Science and Engineering, Beihang University, Beijing 100191 (China)

    2016-03-20

    In general, the Stocks vector cannot be calculated in reverse in the vector radiative transfer. This paper presents a novel backward and forward Monte Carlo simulation strategy to study the vector radiative transfer in the participated medium. A backward Monte Carlo process is used to calculate the ray trajectory and the endpoint of the ray. The Stocks vector is carried out by a forward Monte Carlo process. A one-dimensional graded index semi-transparent medium was presented as the physical model and the thermal emission consideration of polarization was studied in the medium. The solution process to non-scattering, isotropic scattering, and the anisotropic scattering medium, respectively, is discussed. The influence of the optical thickness and albedo on the Stocks vector are studied. The results show that the U, V-components of the apparent Stocks vector are very small, but the Q-component of the apparent Stocks vector is relatively larger, which cannot be ignored.

  18. Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase

    Energy Technology Data Exchange (ETDEWEB)

    Landon, Melissa R.; Lieberman, Raquel L.; Hoang, Quyen Q.; Ju, Shulin; Caaveiro, Jose M.M.; Orwig, Susan D.; Kozakov, Dima; Brenke, Ryan; Chuang, Gwo-Yu; Beglov, Dmitry; Vajda, Sandor; Petsko, Gregory A.; Ringe, Dagmar; (BU-M); (Brandeis); (GIT)

    2010-08-04

    The identification of hot spots, i.e., binding regions that contribute substantially to the free energy of ligand binding, is a critical step for structure-based drug design. Here we present the application of two fragment-based methods to the detection of hot spots for DJ-1 and glucocerebrosidase (GCase), targets for the development of therapeutics for Parkinson's and Gaucher's diseases, respectively. While the structures of these two proteins are known, binding information is lacking. In this study we employ the experimental multiple solvent crystal structures (MSCS) method and computational fragment mapping (FTMap) to identify regions suitable for the development of pharmacological chaperones for DJ-1 and GCase. Comparison of data derived via MSCS and FTMap also shows that FTMap, a computational method for the identification of fragment binding hot spots, is an accurate and robust alternative to the performance of expensive and difficult crystallographic experiments.

  19. Experimental study on reactivity measurement in thermal reactor by polarity correlation method

    International Nuclear Information System (INIS)

    Yasuda, Hideshi

    1977-11-01

    Experimental study on the polarity correlation method for measuring the reactivity of a thermal reactor, especially the one possessing long prompt neutron lifetime such as graphite on heavy water moderated core, is reported. The techniques of reactor kinetics experiment are briefly reviewed, which are classified in two groups, one characterized by artificial disturbance to a reactor and the other by natural fluctuation inherent in a reactor. The fluctuation phenomena of neutron count rate are explained using F. de Hoffman's stochastic method, and correlation functions for the neutron count rate fluctuation are shown. The experimental results by polarity correlation method applied to the β/l measurements in both graphite-moderated SHE core and light water-moderated JMTRC and JRR-4 cores, and also to the measurement of SHE shut down reactivity margin are presented. The measured values were in good agreement with those by a pulsed neutron method in the reactivity range from critical to -12 dollars. The conditional polarity correlation experiments in SHE at -20 cent and -100 cent are demonstrated. The prompt neutron decay constants agreed with those obtained by the polarity correlation experiments. The results of experiments measuring large negative reactivity of -52 dollars of SHE by pulsed neutron, rod drop and source multiplication methods are given. Also it is concluded that the polarity and conditional polarity correlation methods are sufficiently applicable to noise analysis of a low power thermal reactor with long prompt neutron lifetime. (Nakai, Y.)

  20. Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors.

    Science.gov (United States)

    Ozawa, Motoyasu; Ozawa, Tomonaga; Ueda, Kazuyoshi

    2017-06-01

    The molecular interactions of inhibitors of bromodomains (BRDs) were investigated. BRDs are protein interaction modules that recognizing ε-N-acetyl-lysine (εAc-Lys) motifs found in histone tails and are promising protein-protein interaction (PPI) targets. First, we analyzed a peptide ligand containing εAc-Lys to evaluate native PPIs. We then analyzed tetrahydroquinazoline-6-yl-benzensulfonamide derivatives found by fragment-based drug design (FBDD) and examined their interactions with the protein compared with the peptide ligand in terms of the inter-fragment interaction energy. In addition, we analyzed benzodiazepine derivatives that are high-affinity ligands for BRDs and examined differences in the CH/π interactions of the amino acid residues. We further surveyed changes in the charges of the amino acid residues among individual ligands, performed pair interaction energy decomposition analysis and estimated the water profile within the ligand binding site. Thus, useful insights for drug design were provided. Through these analyses and considerations, we show that the FMO method is a useful drug design tool to evaluate the process of FBDD and to explore PPI inhibitors. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. Labeling and stability of radiolabeled antibody fragments by a direct 99mTc-labeling method

    International Nuclear Information System (INIS)

    Pak, K.Y.; Nedelman, M.A.; Tam, S.H.; Wilson, E.; Daddona, P.E.

    1992-01-01

    The in vitro labeling and stability of 99m Tc-labeled antibody Fab' fragments prepared by a direct labeling technique were evaluated. Eight antibody fragments derived from murine IgG1 (N = 5), IgG2a (N = 2) and IgG3 (N = 1) isotypes were labeled with a preformed 99m Tc-D-glucarate complex. No loss of radioactivity incorporation was observed for all the 99m Tc-labeled antibody fragments after 24 h incubation at 37 o C. 99m Tc-labeled antibody fragments (IgG1, N = 2; IgG2a, n = 2; IgG3, N = 1) were stable upon challenge with DTPA, EDTA or acidic pH. Using the affinity chromatography technique, two of the 99m Tc-labeled antibody fragments displayed no loss of immunoreactivity after prolonged incubation in phosphate buffer up to 24 h at 37 o C. Bonding between 99m Tc and antibody fragments was elucidated by challenging with a diamide ditholate (N 2 S 2 ) compound. The Fab' with IgG2a isotype displayed tighter binding to 99m Tc in comparison to Fab' from IgG1 and IgG3 isotype in N 2 S 2 challenge and incubation with human plasma. The in vivo biodistribution of five 99m Tc-labeled fragments were evaluated in normal mice. (Author)

  2. Controlled fragmentation

    International Nuclear Information System (INIS)

    Arnold, Werner

    2002-01-01

    Contrary to natural fragmentation, controlled fragmentation offers the possibility to adapt fragment parameters like size and mass to the performance requirements in a very flexible way. Known mechanisms like grooves inside the casing, weaken the structure. This is, however, excluded for applications with high accelerations during launch or piercing requirements for example on a semi armor piercing penetrator. Another method to achieve controlled fragmentation with an additional grid layer is presented with which the required grooves are produced 'just in time' inside the casing during detonation of the high explosive. The process of generating the grooves aided by the grid layer was studied using the hydrocode HULL with respect to varying grid designs and material combinations. Subsequent to this, a large range of these theoretically investigated combinations was contemplated in substantial experimental tests. With an optimised grid design and a suitable material selection, the controlled fragment admits a very flexible adaptation to the set requirements. Additional advantages like the increase of perforation performance or incendiary amplification can be realized with the grid layer

  3. A NEW METHOD FOR ESTIMATING THE 3D SIZE-DISTRIBUTIONCURVE OF FRAGMENTED ROCKS OUT OF 2D IMAGES

    Directory of Open Access Journals (Sweden)

    Souhaïl Outal

    2011-05-01

    Full Text Available Image analysis of rock fragmentation is used in mines and quarries to control the quality of blasting. Obtained information is the particle-size-distribution curve relating volume-proportions to the sizes of fragments. Calculation by image analysis of this particle-size-distribution is carried out in several steps, and each step has its inherent limitations. We will focus in this paper on one of themost crucial steps: reconstructing the volumes (3D. For the 3D-step, we have noticed that, due to the current acquisition method, there is no correlation between the average grey level of surfaces of the fragments and their third dimension. Consequently volumes (3D as well as the sizes (1D has to be calculated indirectly from the extracted projected areas of the visible fragments of images. For this purpose, we have built in laboratory a set of images of fragmented rocks resulting from blasting. Moreover, several tests based on comparisons between image analysis and screening measurements were carried out. A new stereological method, based on the comparison of the densities of probability (histograms of the samemeasurements (with very weak covering and overlappingwas elaborated. It allows us to estimate correctly, for a given type of rock, two intrinsic laws weighing the projected areas distribution in order to predict the volumic distribution.

  4. Polarization characterization of PZT disks and of embedded PZT plates by thermal wave methods

    International Nuclear Information System (INIS)

    Eydam, Agnes; Suchaneck, Gunnar; Gerlach, Gerald; Esslinger, Sophia; Schönecker, Andreas; Neumeister, Peter

    2014-01-01

    In this work, the thermal wave method was applied to characterize PZT disks and embedded PZT plates with regard to the polarization magnitude and spatial homogeneity. The samples were exposed to periodic heating by means of a laser beam and the pyroelectric response was determined. Thermal relaxation times (single time constants or distributions of time constants) describe the heat losses of the PZT samples to the environment. The resulting pyroelectric current spectrum was fitted to the superposition of thermal relaxation processes. The pyroelectric coefficient gives insight in the polarization distribution. For PZT disks, the polarization distribution in the surface region showed a characteristic decrease towards the electrodes

  5. A multi-method analysis of forest fragmentation and loss: The case ...

    African Journals Online (AJOL)

    Lazie

    2014-02-01

    Feb 1, 2014 ... mented, where the fragmented landscape represents the endpoint of the ... For example, some plants can only be pollinated by a certain kind of bird or ... tropical forests, and of the remainder, temperate and boreal forests ...

  6. Design of fused-silica rectangular transmission gratings for polarizing beam splitter based on modal method.

    Science.gov (United States)

    Zhao, Huajun; Yuan, Dairong

    2010-02-10

    Examples of optimal designs for a fused-silica transmitted grating with high-intensity tolerance are discussed. It has the potential of placing up to 99% incident polarized light in a single diffraction order. The modal method has been used to analyze the effective indices for TE and TM polarization propagating through the grating region, and the eigenvalue equation of the modal method is transformed to a new form. It is shown that the effective indices of the first two modes depend on the value of the period under Littrow mounting with filling factor f=0.5. The polarization properties of the polarizing beam splitter are analyzed by rigorous coupled-wave analysis (RCWA) at the wavelength of 1.064 microm. The optimal design perfectly matches the RCWA simulation result.

  7. Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method

    International Nuclear Information System (INIS)

    Xu, Peng; Gordon, Mark S.

    2013-01-01

    The charge transfer (CT) interaction, the most time-consuming term in the general effective fragment potential method, is made much more computationally efficient. This is accomplished by the projection of the quasiatomic minimal-basis-set orbitals (QUAMBOs) as the atomic basis onto the self-consistent field virtual molecular orbital (MO) space to select a subspace of the full virtual space called the valence virtual space. The diagonalization of the Fock matrix in terms of QUAMBOs recovers the canonical occupied orbitals and, more importantly, gives rise to the valence virtual orbitals (VVOs). The CT energies obtained using VVOs are generally as accurate as those obtained with the full virtual space canonical MOs because the QUAMBOs span the valence part of the virtual space, which can generally be regarded as “chemically important.” The number of QUAMBOs is the same as the number of minimal-basis MOs of a molecule. Therefore, the number of VVOs is significantly smaller than the number of canonical virtual MOs, especially for large atomic basis sets. This leads to a dramatic decrease in the computational cost

  8. A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein

    Directory of Open Access Journals (Sweden)

    Mingyuan Xu

    2018-05-01

    Full Text Available A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC method is proposed for ab initio molecular dynamic simulation of proteins. In this approach, the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptides. The atomic forces on the caped H atoms were corrected to conserve the total force of the protein. Using this approach, ab initio molecular dynamic simulation of an Ace-(ALA9-NME linear peptide showed the conservation of the total energy of the system throughout the simulation. Further a more robust 110 ps ab initio molecular dynamic simulation was performed for a protein with 56 residues and 862 atoms in explicit water. Compared with the classical force field, the ab initio molecular dynamic simulations gave better description of the geometry of peptide bonds. Although further development is still needed, the current approach is highly efficient, trivially parallel, and can be applied to ab initio molecular dynamic simulation study of large proteins.

  9. Monte Carlo method for polarized radiative transfer in gradient-index media

    International Nuclear Information System (INIS)

    Zhao, J.M.; Tan, J.Y.; Liu, L.H.

    2015-01-01

    Light transfer in gradient-index media generally follows curved ray trajectories, which will cause light beam to converge or diverge during transfer and induce the rotation of polarization ellipse even when the medium is transparent. Furthermore, the combined process of scattering and transfer along curved ray path makes the problem more complex. In this paper, a Monte Carlo method is presented to simulate polarized radiative transfer in gradient-index media that only support planar ray trajectories. The ray equation is solved to the second order to address the effect induced by curved ray trajectories. Three types of test cases are presented to verify the performance of the method, which include transparent medium, Mie scattering medium with assumed gradient index distribution, and Rayleigh scattering with realistic atmosphere refractive index profile. It is demonstrated that the atmospheric refraction has significant effect for long distance polarized light transfer. - Highlights: • A Monte Carlo method for polarized radiative transfer in gradient index media. • Effect of curved ray paths on polarized radiative transfer is considered. • Importance of atmospheric refraction for polarized light transfer is demonstrated

  10. A novel method to assay special nuclear materials by measuring prompt neutrons from polarized photofission

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, J.M., E-mail: mueller@tunl.duke.edu [Triangle Universities Nuclear Laboratory, Durham, NC 27710 (United States); Department of Physics, Duke University, Durham, NC 27708 (United States); Ahmed, M.W. [Triangle Universities Nuclear Laboratory, Durham, NC 27710 (United States); Department of Physics, Duke University, Durham, NC 27708 (United States); Department of Mathematics and Physics, North Carolina Central University, Durham, NC 27707 (United States); Weller, H.R. [Triangle Universities Nuclear Laboratory, Durham, NC 27710 (United States); Department of Physics, Duke University, Durham, NC 27708 (United States)

    2014-08-01

    A novel method of measuring the enrichment of special nuclear material is presented. Recent photofission measurements using a linearly polarized γ-ray beam were performed on samples of {sup 232}Th, {sup 233,235,238}U, {sup 237}Np, and {sup 239,240}Pu. Prompt neutron polarization asymmetries, defined to be the difference in the prompt neutron yields parallel and perpendicular to the plane of beam polarization divided by their sum, were measured. It was discovered that the prompt neutron polarization asymmetries differed significantly depending on the sample. Prompt neutrons from photofission of even–even (non-fissile) targets had significant polarization asymmetries (∼0.2 to 0.5), while those from odd-A (generally fissile) targets had polarization asymmetries close to zero. This difference in the polarization asymmetries could be exploited to measure the fissile versus non-fissile content of special nuclear materials, and potentially to detect the presence of fissile material during active interrogation. The proposed technique, its expected performance, and its potential applicability are discussed.

  11. A novel method to assay special nuclear materials by measuring prompt neutrons from polarized photofission

    International Nuclear Information System (INIS)

    Mueller, J.M.; Ahmed, M.W.; Weller, H.R.

    2014-01-01

    A novel method of measuring the enrichment of special nuclear material is presented. Recent photofission measurements using a linearly polarized γ-ray beam were performed on samples of 232 Th, 233,235,238 U, 237 Np, and 239,240 Pu. Prompt neutron polarization asymmetries, defined to be the difference in the prompt neutron yields parallel and perpendicular to the plane of beam polarization divided by their sum, were measured. It was discovered that the prompt neutron polarization asymmetries differed significantly depending on the sample. Prompt neutrons from photofission of even–even (non-fissile) targets had significant polarization asymmetries (∼0.2 to 0.5), while those from odd-A (generally fissile) targets had polarization asymmetries close to zero. This difference in the polarization asymmetries could be exploited to measure the fissile versus non-fissile content of special nuclear materials, and potentially to detect the presence of fissile material during active interrogation. The proposed technique, its expected performance, and its potential applicability are discussed

  12. An Operator Perturbation Method of Polarized Line Transfer V ...

    Indian Academy of Sciences (India)

    tribpo

    imate Lambda Iteration) method to the resonance scattering in spectral lines formed in the presence of weak magnetic fields. The method is based on an operator perturbation approach, and can efficiently give solutions for oriented vector magnetic fields in the solar atmosphere. Key words. ... 1999 for observational.

  13. A Simple yet Accurate Method for Students to Determine Asteroid Rotation Periods from Fragmented Light Curve Data

    Science.gov (United States)

    Beare, R. A.

    2008-01-01

    Professional astronomers use specialized software not normally available to students to determine the rotation periods of asteroids from fragmented light curve data. This paper describes a simple yet accurate method based on Microsoft Excel[R] that enables students to find periods in asteroid light curve and other discontinuous time series data of…

  14. Optical image encryption method based on incoherent imaging and polarized light encoding

    Science.gov (United States)

    Wang, Q.; Xiong, D.; Alfalou, A.; Brosseau, C.

    2018-05-01

    We propose an incoherent encoding system for image encryption based on a polarized encoding method combined with an incoherent imaging. Incoherent imaging is the core component of this proposal, in which the incoherent point-spread function (PSF) of the imaging system serves as the main key to encode the input intensity distribution thanks to a convolution operation. An array of retarders and polarizers is placed on the input plane of the imaging structure to encrypt the polarized state of light based on Mueller polarization calculus. The proposal makes full use of randomness of polarization parameters and incoherent PSF so that a multidimensional key space is generated to deal with illegal attacks. Mueller polarization calculus and incoherent illumination of imaging structure ensure that only intensity information is manipulated. Another key advantage is that complicated processing and recording related to a complex-valued signal are avoided. The encoded information is just an intensity distribution, which is advantageous for data storage and transition because information expansion accompanying conventional encryption methods is also avoided. The decryption procedure can be performed digitally or using optoelectronic devices. Numerical simulation tests demonstrate the validity of the proposed scheme.

  15. Characterization of molecularly imprinted polymers using a new polar solvent titration method.

    Science.gov (United States)

    Song, Di; Zhang, Yagang; Geer, Michael F; Shimizu, Ken D

    2014-07-01

    A new method of characterizing molecularly imprinted polymers (MIPs) was developed and tested, which provides a more accurate means of identifying and measuring the molecular imprinting effect. In the new polar solvent titration method, a series of imprinted and non-imprinted polymers were prepared in solutions containing increasing concentrations of a polar solvent. The polar solvent additives systematically disrupted the templation and monomer aggregation processes in the prepolymerization solutions, and the extent of disruption was captured by the polymerization process. The changes in binding capacity within each series of polymers were measured, providing a quantitative assessment of the templation and monomer aggregation processes in the imprinted and non-imprinted polymers. The new method was tested using three different diphenyl phosphate imprinted polymers made using three different urea functional monomers. Each monomer had varying efficiencies of templation and monomer aggregation. The new MIP characterization method was found to have several advantages. To independently verify the new characterization method, the MIPs were also characterized using traditional binding isotherm analyses. The two methods appeared to give consistent conclusions. First, the polar solvent titration method is less susceptible to false positives in identifying the imprinting effect. Second, the method is able to differentiate and quantify changes in binding capacity, as measured at a fixed guest and polymer concentration, arising from templation or monomer aggregation processes in the prepolymerization solution. Third, the method was also easy to carry out, taking advantage of the ease of preparing MIPs. Copyright © 2014 John Wiley & Sons, Ltd.

  16. Prospects of hydrocarbon deposits exploration using the method of induced polarization during geomagnetic-variation profiling

    Directory of Open Access Journals (Sweden)

    К. М. Ермохин

    2017-10-01

    Full Text Available Traditionally it is believed that the effect of induced polarization is an interfering factor for the measurement of electromagnetic fields and their interpretation during conducting works using magnetotelluric sounding and geomag-netic-variation profiling methods. A new method is proposed for isolating the effects of induced polarization during geomagnetic-variation profiling aimed at searching for hydrocarbon deposits on the basis of phase measurements during the conduct of geomagnetic-variation profiling. The phenomenon of induced polarization is proposed to be used as a special exploration mark for deep-lying hydrocarbon deposits. The traditional method of induced polarization uses artificial field sources, the powers of which are principally insufficient to reach depths of 3-5 km, which leads to the need to search for alternative - natural sources in the form of telluric and magnetotelluric fields. The proposed method makes it possible to detect and interpret the effects of induced polarization from deep-seated oil and gas reservoirs directly, without relying on indirect signs.

  17. Flow velocity measurement by using zero-crossing polarity cross correlation method

    International Nuclear Information System (INIS)

    Xu Chengji; Lu Jinming; Xia Hong

    1993-01-01

    Using the designed correlation metering system and a high accurate hot-wire anemometer as a calibration device, the experimental study of correlation method in a tunnel was carried out. The velocity measurement of gas flow by using zero-crossing polarity cross correlation method was realized and the experimental results has been analysed

  18. Detection-Discrimination Method for Multiple Repeater False Targets Based on Radar Polarization Echoes

    Directory of Open Access Journals (Sweden)

    Z. W. ZONG

    2014-04-01

    Full Text Available Multiple repeat false targets (RFTs, created by the digital radio frequency memory (DRFM system of jammer, are widely used in practical to effectively exhaust the limited tracking and discrimination resource of defence radar. In this paper, common characteristic of radar polarization echoes of multiple RFTs is used for target recognition. Based on the echoes from two receiving polarization channels, the instantaneous polarization radio (IPR is defined and its variance is derived by employing Taylor series expansion. A detection-discrimination method is designed based on probability grids. By using the data from microwave anechoic chamber, the detection threshold of the method is confirmed. Theoretical analysis and simulations indicate that the method is valid and feasible. Furthermore, the estimation performance of IPRs of RFTs due to the influence of signal noise ratio (SNR is also covered.

  19. Method for forming permanent magnets with different polarities for use in microelectromechanical devices

    Science.gov (United States)

    Roesler, Alexander W [Tijeras, NM; Christenson, Todd R [Albuquerque, NM

    2007-04-24

    Methods are provided for forming a plurality of permanent magnets with two different north-south magnetic pole alignments for use in microelectromechanical (MEM) devices. These methods are based on initially magnetizing the permanent magnets all in the same direction, and then utilizing a combination of heating and a magnetic field to switch the polarity of a portion of the permanent magnets while not switching the remaining permanent magnets. The permanent magnets, in some instances, can all have the same rare-earth composition (e.g. NdFeB) or can be formed of two different rare-earth materials (e.g. NdFeB and SmCo). The methods can be used to form a plurality of permanent magnets side-by-side on or within a substrate with an alternating polarity, or to form a two-dimensional array of permanent magnets in which the polarity of every other row of the array is alternated.

  20. Increasing the pump-up rate to polarize 3He gas using spin-exchange optical pumping method

    International Nuclear Information System (INIS)

    Lee, W.T.; Tong Xin; Rich, Dennis; Liu Yun; Fleenor, Michael; Ismaili, Akbar; Pierce, Joshua; Hagen, Mark; Dadras, Jonny; Robertson, J. Lee

    2009-01-01

    In recent years, polarized 3 He gas has increasingly been used as neutron polarizers and polarization analyzers. Two of the leading methods to polarize the 3 He gas are the spin-exchange optical pumping (SEOP) method and the meta-stable exchange optical pumping (MEOP) method. At present, the SEOP setup is comparatively compact due to the fact that it does not require the sophisticated compressor system used in the MEOP method. The temperature and the laser power available determine the speed, at which the SEOP method polarizes the 3 He gas. For the quantity of gas typically used in neutron scattering work, this speed is independent of the quantity of the gas required, whereas the polarizing time using the MEOP method is proportional to the quantity of gas required. Currently, using the SEOP method to polarize several bar-liters of 3 He to 70% polarization would require 20-40 h. This is an order of magnitude longer than the MEOP method for the same quantity of gas and polarization. It would therefore be advantageous to speed up the SEOP process. In this article, we analyze the requirements for temperature, laser power, and the type of alkali used in order to shorten the time required to polarize 3 He gas using the SEOP method.

  1. Nuclear-optical methods for production of polarized photons with energies of a few hundred GeV

    International Nuclear Information System (INIS)

    Ispiryan, K.A.; Ispiryan, M.K.

    1985-01-01

    The absorption coefficients of linearly polarized photons passing through a crystal in parallel to its crystallographic planes are calculated. The methods of determination of the obtainable degree of polarization as well as of the intensity losses for the cases when non-polarized photon beams pass through various crystals in parallel to the planes (110) are described. The energy dependence of the thickness of the quarter-wave plate crystals transforming the linear polarization of the beam into circular one is obtained

  2. Design of a Fused-Silica Subwavelength Polarizing Beam Splitter Grating Based on the Modal Method

    International Nuclear Information System (INIS)

    Hua-Jun, Zhao; Dai-Rong, Yuan; Pei, Wang; Yong-Hua, Lu; Hai, Ming

    2010-01-01

    A polarizing beam splitter (PBS) design based on a fused-silica lamellar subwavelength transmission grating is demonstrated with the modal method, where TE- and TM-polarized waves are mainly diffracted in the −1 st and 0 th orders, respectively. The physical explanation of the grating diffraction is illustrated by the interference of the corresponding parts of the two propagating modes, which is very similar to a Mach–Zehnder interferometer. It is shown that diffraction efficients over 99% for a TM-polarized wave in the −1 st order and 90% for a TE-polarized wave in the 0 th order are obtained at the wavelength of 1.053 μm. The polarization transmission extinction ratios are better than 33 dB and 51 dB for the order 0 th and the −1 st order, respectively. The splitting properties of the PBS grating designed by the modal method are in good agreement with the results simulated by the rigorous coupled wave analysis method. (fundamental areas of phenomenology(including applications))

  3. Analysis of Circularly Polarized Hemispheroidal Dielectric Resonator Antenna Phased Arrays Using the Method of Auxiliary Sources

    DEFF Research Database (Denmark)

    Larsen, Niels Vesterdal; Breinbjerg, Olav

    2007-01-01

    The method of auxiliary sources is employed to model and analyze probe-fed hemispheroidal dielectric resonator antennas and arrays. Circularly polarized antenna elements of different designs are analyzed, and impedance bandwidths of up to 14.7% are achieved. Selected element designs are subsequen......The method of auxiliary sources is employed to model and analyze probe-fed hemispheroidal dielectric resonator antennas and arrays. Circularly polarized antenna elements of different designs are analyzed, and impedance bandwidths of up to 14.7% are achieved. Selected element designs...

  4. Characterization of polarization-independent phase modulation method for practical plug and play quantum cryptography

    International Nuclear Information System (INIS)

    Kwon, Osung; Lee, Min-Soo; Woo, Min Ki; Park, Byung Kwon; Kim, Il Young; Kim, Yong-Su; Han, Sang-Wook; Moon, Sung

    2015-01-01

    We characterized a polarization-independent phase modulation method, called double phase modulation, for a practical plug and play quantum key distribution (QKD) system. Following investigation of theoretical backgrounds, we applied the method to the practical QKD system and characterized the performance through comparing single phase modulation (SPM) and double phase modulation. Consequently, we obtained repeatable and accurate phase modulation confirmed by high visibility single photon interference even for input signals with arbitrary polarization. Further, the results show that only 80% of the bias voltage required in the case of single phase modulation is needed to obtain the target amount of phase modulation. (paper)

  5. Method of generating intense nuclear polarized beams by selective photodetachment of negative ions

    International Nuclear Information System (INIS)

    Hershcovitch, A.

    1986-01-01

    A novel method for production of nuclear polarized negative hydrogen ions by selective neutralization with a laser of negative hydrogen ions in a magnetic field is described. This selectivity is possible since a final state of the neutralized atom, and hence the neutralization energy, depends on its nuclear polarization. The main advantages of this scheme are the availability of multi-ampere negative ion sources and the possibility of neutralizing negative ions with very high efficiency. An assessment of the required laser power indicates that this method is in principle feasible with today's technology

  6. Deterministic and stochastic methods of calculation of polarization characteristics of radiation in natural environment

    Science.gov (United States)

    Strelkov, S. A.; Sushkevich, T. A.; Maksakova, S. V.

    2017-11-01

    We are talking about russian achievements of the world level in the theory of radiation transfer, taking into account its polarization in natural media and the current scientific potential developing in Russia, which adequately provides the methodological basis for theoretically-calculated research of radiation processes and radiation fields in natural media using supercomputers and mass parallelism. A new version of the matrix transfer operator is proposed for solving problems of polarized radiation transfer in heterogeneous media by the method of influence functions, when deterministic and stochastic methods can be combined.

  7. Fabrication of advanced Bragg gratings with complex apodization profiles by use of the polarization control method

    DEFF Research Database (Denmark)

    Deyerl, Hans-Jürgen; Plougmann, Nikolai; Jensen, Jesper Bo Damm

    2004-01-01

    The polarization control method offers a flexible, robust, and low-cost route for the parallel fabrication of gratings with complex apodization profiles including several discrete phase shifts and chirp. The performance of several test gratings is evaluated in terms of their spectral response...... and compared with theoretical predictions. Short gratings with sidelobe-suppression levels in excess of 32 dB and transmission dips lower than 80 dB have been realized. Finally, most of the devices fabricated by the polarization control method show comparable quality to gratings manufactured by far more...

  8. The power to detect recent fragmentation events using genetic differentiation methods.

    Directory of Open Access Journals (Sweden)

    Michael W Lloyd

    Full Text Available Habitat loss and fragmentation are imminent threats to biological diversity worldwide and thus are fundamental issues in conservation biology. Increased isolation alone has been implicated as a driver of negative impacts in populations associated with fragmented landscapes. Genetic monitoring and the use of measures of genetic divergence have been proposed as means to detect changes in landscape connectivity. Our goal was to evaluate the sensitivity of Wright's F st, Hedrick' G'st , Sherwin's MI, and Jost's D to recent fragmentation events across a range of population sizes and sampling regimes. We constructed an individual-based model, which used a factorial design to compare effects of varying population size, presence or absence of overlapping generations, and presence or absence of population sub-structuring. Increases in population size, overlapping generations, and population sub-structuring each reduced F st, G'st , MI, and D. The signal of fragmentation was detected within two generations for all metrics. However, the magnitude of the change in each was small in all cases, and when N e was >100 individuals it was extremely small. Multi-generational sampling and population estimates are required to differentiate the signal of background divergence from changes in Fst , G'st , MI, and D associated with fragmentation. Finally, the window during which rapid change in Fst , G'st , MI, and D between generations occurs can be small, and if missed would lead to inconclusive results. For these reasons, use of F st, G'st , MI, or D for detecting and monitoring changes in connectivity is likely to prove difficult in real-world scenarios. We advocate use of genetic monitoring only in conjunction with estimates of actual movement among patches such that one could compare current movement with the genetic signature of past movement to determine there has been a change.

  9. Polarization measurement for internal polarized gaseous targets

    International Nuclear Information System (INIS)

    Ye Zhenyu; Ye Yunxiu; Lv Haijiang; Mao Yajun

    2004-01-01

    The authors present an introduction to internal polarized gaseous targets, polarization method, polarization measurement method and procedure. To get the total nuclear polarization of hydrogen atoms (including the polarization of the recombined hydrogen molecules) in the target cell, authors have measured the parameters relating to atomic polarization and polarized hydrogen atoms and molecules. The total polarization of the target during our measurement is P T =0.853 ± 0.036. (authors)

  10. Testing methods for using high-resolution satellite imagery to monitor polar bear abundance and distribution

    Science.gov (United States)

    LaRue, Michelle A.; Stapleton, Seth P.; Porter, Claire; Atkinson, Stephen N.; Atwood, Todd C.; Dyck, Markus; Lecomte, Nicolas

    2015-01-01

    High-resolution satellite imagery is a promising tool for providing coarse information about polar species abundance and distribution, but current applications are limited. With polar bears (Ursus maritimus), the technique has only proven effective on landscapes with little topographic relief that are devoid of snow and ice, and time-consuming manual review of imagery is required to identify bears. Here, we evaluated mechanisms to further develop methods for satellite imagery by examining data from Rowley Island, Canada. We attempted to automate and expedite detection via a supervised spectral classification and image differencing to expedite image review. We also assessed what proportion of a region should be sampled to obtain reliable estimates of density and abundance. Although the spectral signature of polar bears differed from nontarget objects, these differences were insufficient to yield useful results via a supervised classification process. Conversely, automated image differencing—or subtracting one image from another—correctly identified nearly 90% of polar bear locations. This technique, however, also yielded false positives, suggesting that manual review will still be required to confirm polar bear locations. On Rowley Island, bear distribution approximated a Poisson distribution across a range of plot sizes, and resampling suggests that sampling >50% of the site facilitates reliable estimation of density (CV in certain areas, but large-scale applications remain limited because of the challenges in automation and the limited environments in which the method can be effectively applied. Improvements in resolution may expand opportunities for its future uses.

  11. Testing methods for using high-resolution satellite imagery to monitor polar bear abundance and distribution

    Science.gov (United States)

    LaRue, Michelle A.; Stapleton, Seth P.; Porter, Claire; Atkinson, Stephen N.; Atwood, Todd C.; Dyck, Markus; Lecomte, Nicolas

    2015-01-01

    High-resolution satellite imagery is a promising tool for providing coarse information about polar species abundance and distribution, but current applications are limited. With polar bears (Ursus maritimus), the technique has only proven effective on landscapes with little topographic relief that are devoid of snow and ice, and time-consuming manual review of imagery is required to identify bears. Here, we evaluated mechanisms to further develop methods for satellite imagery by examining data from Rowley Island, Canada. We attempted to automate and expedite detection via a supervised spectral classification and image differencing to expedite image review. We also assessed what proportion of a region should be sampled to obtain reliable estimates of density and abundance. Although the spectral signature of polar bears differed from nontarget objects, these differences were insufficient to yield useful results via a supervised classification process. Conversely, automated image differencing—or subtracting one image from another—correctly identified nearly 90% of polar bear locations. This technique, however, also yielded false positives, suggesting that manual review will still be required to confirm polar bear locations. On Rowley Island, bear distribution approximated a Poisson distribution across a range of plot sizes, and resampling suggests that sampling >50% of the site facilitates reliable estimation of density (CV large-scale applications remain limited because of the challenges in automation and the limited environments in which the method can be effectively applied. Improvements in resolution may expand opportunities for its future uses.

  12. TRANSVERSELY POLARIZED Λ PRODUCTION

    International Nuclear Information System (INIS)

    BORER, D.

    2000-01-01

    Transversely polarized Λ production in hard scattering processes is discussed in terms of a leading twist T-odd fragmentation function which describes the fragmentation of an unpolarized quark into a transversely polarized Λ. We focus on the properties of this function and its relevance for the RHIC and HERMES experiments

  13. Synthesis of the proteinase inhibitor LEKTI domain 6 by the fragment condensation method and regioselective disulfide bond formation.

    Science.gov (United States)

    Vasileiou, Zoe; Barlos, Kostas K; Gatos, Dimitrios; Adermann, Knut; Deraison, Celine; Barlos, Kleomenis

    2010-01-01

    Proteinase inhibitors are of high pharmaceutical interest and are drug candidates for a variety of indications. Specific kallikrein inhibitors are important for their antitumor activity and their potential application to the treatment of skin diseases. In this study we describe the synthesis of domain 6 of the kallikrein inhibitor Lympho-Epithilial Kazal-Type Inhibitor (LEKTI) by the fragment condensation method and site-directed cystine bridge formation. To obtain the linear LEKTI precursor, the condensation was best performed in solution, coupling the protected fragment 1-22 to 23-68. This method yielded LEKTI domain 6 of high purity and equipotent to the recombinantly produced peptide. (c) 2010 Wiley Periodicals, Inc.

  14. Distinguishing Aspartic and Isoaspartic Acids in Peptides by Several Mass Spectrometric Fragmentation Methods

    Science.gov (United States)

    DeGraan-Weber, Nick; Zhang, Jun; Reilly, James P.

    2016-12-01

    Six ion fragmentation techniques that can distinguish aspartic acid from its isomer, isoaspartic acid, were compared. MALDI post-source decay (PSD), MALDI 157 nm photodissociation, tris(2,4,6-trimethoxyphenyl)phosphonium bromide (TMPP) charge tagging in PSD and photodissociation, ESI collision-induced dissociation (CID), electron transfer dissociation (ETD), and free-radical initiated peptide sequencing (FRIPS) with CID were applied to peptides containing either aspartic or isoaspartic acid. Diagnostic ions, such as the y-46 and b+H2O, are present in PSD, photodissociation, and charge tagging. c•+57 and z-57 ions are observed in ETD and FRIPS experiments. For some molecules, aspartic and isoaspartic acid yield ion fragments with significantly different intensities. ETD and charge tagging appear to be most effective at distinguishing these residues.

  15. Analysis of method of polarization surveying of water surface oil pollution

    Science.gov (United States)

    Zhukov, B. S.

    1979-01-01

    A method of polarization surveying of oil films on the water surface is analyzed. Model calculations of contrasted oil and water obtained with different orientations of the analyzer are discussed. The model depends on the spectral range, water transparency and oil film, and the selection of observational direction.

  16. A possible method to produce a polarized antiproton beam at intermediate energies

    International Nuclear Information System (INIS)

    Spinka, H.; Vaandering, E.W.; Hofmann, J.S.

    1994-01-01

    A feasible and conservative design for a medium energy polarized antiproton beam has been presented. The design requires an intense beam of unpolarized antiprotons (≥ 10 7 /sec) from a typical secondary beam line in order to achieve reasonable anti pp elastic scattering count rates. All three beam spin directions can be achieved. Methods were discussed to reverse the spin directions in modest times, and to change to a polarized proton beam if desired. It is expected that experiments with such a beam would have a profound effect on the understanding of the anti NN interaction at intermediate energies

  17. Space-polarization Collaborative Suppression Method for Ionospheric Clutter in HFSWR

    Directory of Open Access Journals (Sweden)

    Yang Yunlong

    2016-12-01

    Full Text Available High Frequency Surface Wave Radar (HFSWR is able to receive surface target and low-flying aircraft echoes at a long-distance, but it suffers severely from ionospheric clutter. In this paper, a spacepolarization collaborative-based filter is introduced to mitigate ionospheric clutter. For parameter estimation on ionospheric clutter used for filters, a spatial parameter estimation algorithm based on compressive sensing is introduced to the DOA estimation of ionospheric clutter. In addition, a polarized parameter estimation algorithm based on statistical characteristics is proposed for ionospheric clutter in the range-Doppler spectrum. Higher estimation accuracy is achieved as a result of the range-Doppler spectrum; therefore, these two estimation algorithms enhance the performance of the space-polarization collaborative suppression method for ionospheric clutter. Experimental results of practical dual-polarized HFSWR data show the effectiveness of the two algorithms and the above mentioned filter for ionospheric clutter suppression.

  18. Applying electric field to charged and polar particles between metallic plates: extension of the Ewald method.

    Science.gov (United States)

    Takae, Kyohei; Onuki, Akira

    2013-09-28

    We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary size. We use the fact that the potential from the surface charges is equivalent to the sum of those from image charges and dipoles located outside the cell. We present simulation results on boundary effects of charged and polar fluids, formation of ionic crystals, and formation of dipole chains, where the applied field and the image interaction are crucial. For polar fluids, we find a large deviation of the classical Lorentz-field relation between the local field and the applied field due to pair correlations along the applied field. As general aspects, we clarify the difference between the potential-fixed and the charge-fixed boundary conditions and examine the relationship between the discrete particle description and the continuum electrostatics.

  19. A method for measurements of neutral fragments kinetic energies released to a specific dissociation threshold: optical translational spectroscopy

    International Nuclear Information System (INIS)

    Roney, A.; Frigon, C.; Larzilliere, M.

    1999-01-01

    The optical translational spectroscopy technique, based on the principles of fast ion beam laser spectroscopy (FIBLAS) and translational spectroscopy, allows the kinetic energies study of neutral fragments released through free dissociation of a neutral molecule. This method presents interesting features such as near-threshold energy measurements and selection of a specific dissociation limit. The fragments resulting from free dissociation (not induced) of neutral molecules, produced by charge exchange processes with a fast ion beam, are probed by laser radiation. Monitoring of the laser-induced fluorescence allows high-resolution spectra due to the kinematic compression of the velocity spread. Measurements of kinetic energies released to the second limit of dissociation H(1s) + H(2l) of H 2 are put forth and compared with those obtained by means of off-axis translational spectroscopy

  20. Polarization ratio property and material classification method in passive millimeter wave polarimetric imaging

    Science.gov (United States)

    Cheng, Yayun; Qi, Bo; Liu, Siyuan; Hu, Fei; Gui, Liangqi; Peng, Xiaohui

    2016-10-01

    Polarimetric measurements can provide additional information as compared to unpolarized ones. In this paper, linear polarization ratio (LPR) is created to be a feature discriminator. The LPR properties of several materials are investigated using Fresnel theory. The theoretical results show that LPR is sensitive to the material type (metal or dielectric). Then a linear polarization ratio-based (LPR-based) method is presented to distinguish between metal and dielectric materials. In order to apply this method to practical applications, the optimal range of incident angle have been discussed. The typical outdoor experiments including various objects such as aluminum plate, grass, concrete, soil and wood, have been conducted to validate the presented classification method.

  1. A Fragment-Based Method of Creating Small-Molecule Libraries to Target the Aggregation of Intrinsically Disordered Proteins.

    Science.gov (United States)

    Joshi, Priyanka; Chia, Sean; Habchi, Johnny; Knowles, Tuomas P J; Dobson, Christopher M; Vendruscolo, Michele

    2016-03-14

    The aggregation process of intrinsically disordered proteins (IDPs) has been associated with a wide range of neurodegenerative disorders, including Alzheimer's and Parkinson's diseases. Currently, however, no drug in clinical use targets IDP aggregation. To facilitate drug discovery programs in this important and challenging area, we describe a fragment-based approach of generating small-molecule libraries that target specific IDPs. The method is based on the use of molecular fragments extracted from compounds reported in the literature to inhibit of the aggregation of IDPs. These fragments are used to screen existing large generic libraries of small molecules to form smaller libraries specific for given IDPs. We illustrate this approach by describing three distinct small-molecule libraries to target, Aβ, tau, and α-synuclein, which are three IDPs implicated in Alzheimer's and Parkinson's diseases. The strategy described here offers novel opportunities for the identification of effective molecular scaffolds for drug discovery for neurodegenerative disorders and to provide insights into the mechanism of small-molecule binding to IDPs.

  2. Restriction site extension PCR: a novel method for high-throughput characterization of tagged DNA fragments and genome walking.

    Directory of Open Access Journals (Sweden)

    Jiabing Ji

    Full Text Available BACKGROUND: Insertion mutant isolation and characterization are extremely valuable for linking genes to physiological function. Once an insertion mutant phenotype is identified, the challenge is to isolate the responsible gene. Multiple strategies have been employed to isolate unknown genomic DNA that flanks mutagenic insertions, however, all these methods suffer from limitations due to inefficient ligation steps, inclusion of restriction sites within the target DNA, and non-specific product generation. These limitations become close to insurmountable when the goal is to identify insertion sites in a high throughput manner. METHODOLOGY/PRINCIPAL FINDINGS: We designed a novel strategy called Restriction Site Extension PCR (RSE-PCR to efficiently conduct large-scale isolation of unknown genomic DNA fragments linked to DNA insertions. The strategy is a modified adaptor-mediated PCR without ligation. An adapter, with complementarity to the 3' overhang of the endonuclease (KpnI, NsiI, PstI, or SacI restricted DNA fragments, extends the 3' end of the DNA fragments in the first cycle of the primary RSE-PCR. During subsequent PCR cycles and a second semi-nested PCR (secondary RSE-PCR, touchdown and two-step PCR are combined to increase the amplification specificity of target fragments. The efficiency and specificity was demonstrated in our characterization of 37 tex mutants of Arabidopsis. All the steps of RSE-PCR can be executed in a 96 well PCR plate. Finally, RSE-PCR serves as a successful alternative to Genome Walker as demonstrated by gene isolation from maize, a plant with a more complex genome than Arabidopsis. CONCLUSIONS/SIGNIFICANCE: RSE-PCR has high potential application in identifying tagged (T-DNA or transposon sequence or walking from known DNA toward unknown regions in large-genome plants, with likely application in other organisms as well.

  3. Polarized secondary radioactive beams

    International Nuclear Information System (INIS)

    Zaika, N.I.

    1992-01-01

    Three methods of polarized radioactive nuclei beam production: a) a method nuclear interaction of the non-polarized or polarized charged projectiles with target nuclei; b) a method of polarization of stopped reaction radioactive products in a special polarized ion source with than following acceleration; c) a polarization of radioactive nuclei circulating in a storage ring are considered. Possible life times of the radioactive ions for these methods are determined. General schemes of the polarization method realizations and depolarization problems are discussed

  4. Using polarized Raman spectroscopy and the pseudospectral method to characterize molecular structure and function

    Science.gov (United States)

    Weisman, Andrew L.

    Electronic structure calculation is an essential approach for determining the structure and function of molecules and is therefore of critical interest to physics, chemistry, and materials science. Of the various algorithms for calculating electronic structure, the pseudospectral method is among the fastest. However, the trade-off for its speed is more up-front programming and testing, and as a result, applications using the pseudospectral method currently lag behind those using other methods. In Part I of this dissertation, we first advance the pseudospectral method by optimizing it for an important application, polarized Raman spectroscopy, which is a well-established tool used to characterize molecular properties. This is an application of particular importance because often the easiest and most economical way to obtain the polarized Raman spectrum of a material is to simulate it; thus, utilization of the pseudospectral method for this purpose will accelerate progress in the determination of molecular properties. We demonstrate that our implementation of Raman spectroscopy using the pseudospectral method results in spectra that are just as accurate as those calculated using the traditional analytic method, and in the process, we derive the most comprehensive formulation to date of polarized Raman intensity formulas, applicable to both crystalline and isotropic systems. Next, we apply our implementation to determine the orientations of crystalline oligothiophenes -- a class of materials important in the field of organic electronics -- achieving excellent agreement with experiment and demonstrating the general utility of polarized Raman spectroscopy for the determination of crystal orientation. In addition, we derive from first-principles a method for using polarized Raman spectra to establish unambiguously whether a uniform region of a material is crystalline or isotropic. Finally, we introduce free, open-source software that allows a user to determine any of a

  5. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Directory of Open Access Journals (Sweden)

    Virginia H. Garrison

    2012-03-01

    Full Text Available In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands in 1999 and was followed for 12 years. The primary objectives were to (1 identify a source of coral colonies for transplantation that would not result in damage to reefs, (2 test the feasibility of transplanting storm-generated coral fragments, and (3 develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community. The ultimate goal was to enhance abundance of threatened reef-building species on local reefs. Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae] and another fast-growing species [Porites porites (Poritidae] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs. Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate. Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place. Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only. Location was a factor in survival only for A. palmata reference colonies and after year 10. Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are understood and

  6. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Science.gov (United States)

    Garrison, Virginia H.; Ward, Greg A.

    2012-01-01

    In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands) in 1999 and was followed for 12 years. The primary objectives were to (1) identify a source of coral colonies for transplantation that would not result in damage to reefs, (2) test the feasibility of transplanting storm-generated coral fragments, and (3) develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community.  The ultimate goal was to enhance abundance of threatened reef-building species on local reefs.  Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae)] and another fast-growing species [Porites porites (Poritidae)] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs.  Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate.  Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place.  Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only.  Location was a factor in survival only for A. palmata reference colonies and after year 10.  Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are

  7. General method for calculating polarization electric fields produced by auroral Cowling mechanism and application examples

    Science.gov (United States)

    Vanhamäki, Heikki; Amm, Olaf; Fujii, Ryo; Yoshikawa, Aki; Ieda, Aki

    2013-04-01

    The Cowling mechanism is characterized by the generation of polarization space charges in the ionosphere in consequence of a partial or total blockage of FAC flowing between the ionosphere and the magnetosphere. Thus a secondary polarization electric field builds up in the ionosphere, which guarantees that the whole (primary + secondary) ionospheric current system is again in balance with the FAC. In the Earth's ionosphere the Cowling mechanism is long known to operate in the equatorial electrojet, and several studies indicate that it is important also in auroral current systems. We present a general method for calculate the secondary polarization electric field, when the ionospheric conductances, the primary (modeled) or the total (measured) electric field, and the Cowling efficiency are given. Here the Cowling efficiency is defined as the fraction of the divergent Hall current canceled by secondary Pedersen current. In contrast to previous studies, our approach is a general solution which is not limited to specific geometrical setups (like an auroral arc), and all parameters may have any kind of spatial dependence. The solution technique is based on spherical elementary current (vector) systems (SECS). This way, we avoid the need to specify explicit boundary conditions for the searched polarization electric field or its potential, which would be required if the problem was solved in a differential equation approach. Instead, we solve an algebraic matrix equation, for which the implicit boundary condition that the divergence of the polarization electric field vanishes outside our analysis area is sufficient. In order to illustrate the effect of Cowling mechanism on ionospheric current systems, we apply our method to two simple models of auroral electrodynamic situations: 1) a mesoscale strong conductance enhancement in the early morning sector within a relatively weak southward primary electric field, 2) a morning sector auroral arc with only a weak conductance

  8. Method for measuring retardation of infrared wave-plate by modulated-polarized visible light

    Science.gov (United States)

    Zhang, Ying; Song, Feijun

    2012-11-01

    A new method for precisely measuring the optical phase retardation of wave-plates in the infrared spectral region is presented by using modulated-polarized visible light. An electro-optic modulator is used to accurately determine the zero point by the frequency-doubled signal of the Modulated-polarized light. A Babinet-Soleil compensator is employed to make the phase delay compensation. Based on this method, an instrument is set up to measure the retardations of the infrared wave-plates with visible region laser. Measurement results with high accuracy and sound repetition are obtained by simple calculation. Its measurement precision is less than and repetitive precision is within 0.3%.

  9. Physics of projectile fragments

    International Nuclear Information System (INIS)

    Minamisono, Tadanori

    1982-01-01

    This is a study report on the polarization phenomena of the projectile fragments produced by heavy ion reactions, and the beta decay of fragments. The experimental project by using heavy ions with the energy from 50 MeV/amu to 250 MeV/amu was designed. Construction of an angle-dispersion spectrograph for projectile fragments was proposed. This is a two-stage spectrograph. The first stage is a QQDQQ type separator, and the second stage is QDQD type. Estimation shows that Co-66 may be separated from the nuclei with mass of 65 and 67. The orientation of fragments can be measured by detecting beta-ray. The apparatus consists of a uniform field magnet, an energy absorber, a stopper, a RF coil and a beta-ray hodoscope. This system can be used for not only this purpose but also for the measurement of hyperfine structure. (Kato, T.)

  10. Multiple and sequential data acquisition method: an improved method for fragmentation and detection of cross-linked peptides on a hybrid linear trap quadrupole Orbitrap Velos mass spectrometer.

    Science.gov (United States)

    Rudashevskaya, Elena L; Breitwieser, Florian P; Huber, Marie L; Colinge, Jacques; Müller, André C; Bennett, Keiryn L

    2013-02-05

    The identification and validation of cross-linked peptides by mass spectrometry remains a daunting challenge for protein-protein cross-linking approaches when investigating protein interactions. This includes the fragmentation of cross-linked peptides in the mass spectrometer per se and following database searching, the matching of the molecular masses of the fragment ions to the correct cross-linked peptides. The hybrid linear trap quadrupole (LTQ) Orbitrap Velos combines the speed of the tandem mass spectrometry (MS/MS) duty circle with high mass accuracy, and these features were utilized in the current study to substantially improve the confidence in the identification of cross-linked peptides. An MS/MS method termed multiple and sequential data acquisition method (MSDAM) was developed. Preliminary optimization of the MS/MS settings was performed with a synthetic peptide (TP1) cross-linked with bis[sulfosuccinimidyl] suberate (BS(3)). On the basis of these results, MSDAM was created and assessed on the BS(3)-cross-linked bovine serum albumin (BSA) homodimer. MSDAM applies a series of multiple sequential fragmentation events with a range of different normalized collision energies (NCE) to the same precursor ion. The combination of a series of NCE enabled a considerable improvement in the quality of the fragmentation spectra for cross-linked peptides, and ultimately aided in the identification of the sequences of the cross-linked peptides. Concurrently, MSDAM provides confirmatory evidence from the formation of reporter ions fragments, which reduces the false positive rate of incorrectly assigned cross-linked peptides.

  11. Investigation of the Rock Fragmentation Process by a Single TBM Cutter Using a Voronoi Element-Based Numerical Manifold Method

    Science.gov (United States)

    Liu, Quansheng; Jiang, Yalong; Wu, Zhijun; Xu, Xiangyu; Liu, Qi

    2018-04-01

    In this study, a two-dimensional Voronoi element-based numerical manifold method (VE-NMM) is developed to analyze the granite fragmentation process by a single tunnel boring machine (TBM) cutter under different confining stresses. A Voronoi tessellation technique is adopted to generate the polygonal grain assemblage to approximate the microstructure of granite sample from the Gubei colliery of Huainan mining area in China. A modified interface contact model with cohesion and tensile strength is embedded into the numerical manifold method (NMM) to interpret the interactions between the rock grains. Numerical uniaxial compression and Brazilian splitting tests are first conducted to calibrate and validate the VE-NMM models based on the laboratory experiment results using a trial-and-error method. On this basis, numerical simulations of rock fragmentation by a single TBM cutter are conducted. The simulated crack initiation and propagation process as well as the indentation load-penetration depth behaviors in the numerical models accurately predict the laboratory indentation test results. The influence of confining stress on rock fragmentation is also investigated. Simulation results show that radial tensile cracks are more likely to be generated under a low confining stress, eventually coalescing into a major fracture along the loading axis. However, with the increase in confining stress, more side cracks initiate and coalesce, resulting in the formation of rock chips at the upper surface of the model. In addition, the peak indentation load also increases with the increasing confining stress, indicating that a higher thrust force is usually needed during the TBM boring process in deep tunnels.

  12. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters

    International Nuclear Information System (INIS)

    Blaise, Philippe

    1998-01-01

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author)

  13. Formal Solutions for Polarized Radiative Transfer. II. High-order Methods

    Energy Technology Data Exchange (ETDEWEB)

    Janett, Gioele; Steiner, Oskar; Belluzzi, Luca, E-mail: gioele.janett@irsol.ch [Istituto Ricerche Solari Locarno (IRSOL), 6605 Locarno-Monti (Switzerland)

    2017-08-20

    When integrating the radiative transfer equation for polarized light, the necessity of high-order numerical methods is well known. In fact, well-performing high-order formal solvers enable higher accuracy and the use of coarser spatial grids. Aiming to provide a clear comparison between formal solvers, this work presents different high-order numerical schemes and applies the systematic analysis proposed by Janett et al., emphasizing their advantages and drawbacks in terms of order of accuracy, stability, and computational cost.

  14. Apparatus and Method for Elimination of Polarization-Induced Fading in Fiber-optic Sensor System

    Science.gov (United States)

    Chan, Hon Man (Inventor); Parker, Jr., Allen R. (Inventor)

    2015-01-01

    The invention is an apparatus and method of eliminating polarization-induced fading in interferometric fiber-optic sensor system having a wavelength-swept laser optical signal. The interferometric return signal from the sensor arms are combined and provided to a multi-optical path detector assembly and ultimately to a data acquisition and processing unit by way of a switch that is time synchronized with the laser scan sweep cycle.

  15. Application of the Ursell-Mayer method in the theory of spin-polarized atomic hydrogen

    International Nuclear Information System (INIS)

    Kilic, S.; Radelja, T.

    1981-01-01

    Employing the Ursell-Mayer method and Ljolje semi-free gas model analytic relations describing ground state properties (energy, pressure, compressibility, sound velocity, radial distribution function and one-particle density matrix) of spin-polarized atomic hydrogen were derived. The expressions are valid up to density 2 10 26 atoms/m 3 . It was found out that at density of 2 10 26 atoms/m 3 the condensation of particle in momentum space is 88% (at absolute zero). (orig.)

  16. Jet fragmentation

    International Nuclear Information System (INIS)

    Saxon, D.H.

    1985-10-01

    The paper reviews studies on jet fragmentation. The subject is discussed under the topic headings: fragmentation models, charged particle multiplicity, bose-einstein correlations, identified hadrons in jets, heavy quark fragmentation, baryon production, gluon and quark jets compared, the string effect, and two successful models. (U.K.)

  17. Can Electron Propagator Methods Be Used To Improve Polarization Propagator Methods?

    DEFF Research Database (Denmark)

    Jensen, Hans Jørgen Aagaard

    2008-01-01

    Calculations of Rydberg excitation energies with the second-order polarization propagator approximation (SOPPA) often produce results which are more in error than the random phase approximation (RPA), which formally is the first-order model. This is obviously because of cancellation of errors...... at the RPA level. On the other hand, valence excitation energies behave as expected, and they are systematically improved in SOPPA compared to RPA. Note that a Rydberg series is related to one of the ionization thresholds of the molecule, and it is thus obvious that a good description of the ionization...

  18. 3-D Forward modeling of Induced Polarization Effects of Transient Electromagnetic Method

    Science.gov (United States)

    Wu, Y.; Ji, Y.; Guan, S.; Li, D.; Wang, A.

    2017-12-01

    In transient electromagnetic (TEM) detection, Induced polarization (IP) effects are so important that they cannot be ignored. The authors simulate the three-dimensional (3-D) induced polarization effects in time-domain directly by applying the finite-difference time-domain method (FDTD) based on Cole-Cole model. Due to the frequency dispersion characteristics of the electrical conductivity, the computations of convolution in the generalized Ohm's law of fractional order system makes the forward modeling particularly complicated. Firstly, we propose a method to approximate the fractional order function of Cole-Cole model using a lower order rational transfer function based on error minimum theory in the frequency domain. In this section, two auxiliary variables are introduced to transform nonlinear least square fitting problem of the fractional order system into a linear programming problem, thus avoiding having to solve a system of equations and nonlinear problems. Secondly, the time-domain expression of Cole-Cole model is obtained by using Inverse Laplace transform. Then, for the calculation of Ohm's law, we propose an e-index auxiliary equation of conductivity to transform the convolution to non-convolution integral; in this section, the trapezoid rule is applied to compute the integral. We then substitute the recursion equation into Maxwell's equations to derive the iterative equations of electromagnetic field using the FDTD method. Finally, we finish the stimulation of 3-D model and evaluate polarization parameters. The results are compared with those obtained from the digital filtering solution of the analytical equation in the homogeneous half space, as well as with the 3-D model results from the auxiliary ordinary differential equation method (ADE). Good agreements are obtained across the three methods. In terms of the 3-D model, the proposed method has higher efficiency and lower memory requirements as execution times and memory usage were reduced by 20

  19. A new method for the measurement of the polarization characteristics of ferromagnetic films on ultracold neutrons

    International Nuclear Information System (INIS)

    Taran, Yu.V.

    1985-01-01

    A new method has been developed for measuring the polarization characteristics of ferromagnetic films on ultracold neutrons (UCN) by single-, double- and triple-transmission of UCN beam through one and the same film. To realize the method an installation has been proposed consisting of the two UCN storage traps connected with a mirror neutron guide. An investigated film is placed in the slit in the middle of the neutron guide. On both sides of the film a spin-flipper is installed bottle is equiped with three neutron values which permit filling in the bottle with UCN and allow oneto let UCN out to the neutron guide or detector. The neutrons once let out from one bottle into the neutron guide are caught by the other. The film can be moved out of the neutron guide or rotated. By manipulating with spin-flippers and the film one may take the integral polarization parameters of the film: transmission, polarizing and analysing efficiencies, so-called S-factor, which is the fourth independent linear combination of the elements of the square 2x2 transmission matrix of the film. The measurement parameters help to restore the film transmission matrix. Then a comparison is drawn with the theoretical models of UCN depolarization on transmission through a ferromagnetic film

  20. A SPH Method-based Numerical Simulation of the Space Debris Fragments Interaction with Spacecraft Structure Components

    Directory of Open Access Journals (Sweden)

    V. V. Zelentsov

    2017-01-01

    Full Text Available Significant amount of space debris available in the near-Earth space is a reason to protect space vehicles from the fragments of space debris. Existing empirical calculation methods do not allow us to estimate quality of developed protection. Experimental verification of protection requires complex and expensive installations that do not allow having a desirable impact velocity. The article proposes to use the ANSYS AUTODYN software environment – a software complex of the nonlinear dynamic analysis to evaluate quality of developed protection. The ANSYS AUTODYN environment is based on the integration methods of a system of equations of continuum mechanics. The SPH (smoothed particle method method is used as a solver. The SPH method is based on the area of sampling by a finite set of the Lagrangian particles that can be represented as the elementary volumes of the medium. In modeling the targets were under attack of 2 and 3 mm spheres and cylinders with 2 mm in bottom diameter and with generator of 2 and 3 mm. The apheres and cylinders are solid and hollow, with a wall thickness of 0.5 mm. The impact velocity of the particles with a target was assumed to be 7.5 km / s. The number of integration cycles in all cases of calculation was assumed to be 1000. The rate of flying debris fragments of the target material as a function of the h / d ratio (h - the thickness of the target, / d - the diameter of a sphere or a cylinder end is obtained. In simulation the sample picture obtained coincides both with results of experimental study carried out at the Tomsk State Technical University and  with results described in the literature.

  1. Finite-Geometry and Polarized Multiple-Scattering Corrections of Experimental Fast- Neutron Polarization Data by Means of Monte Carlo Methods

    Energy Technology Data Exchange (ETDEWEB)

    Aspelund, O; Gustafsson, B

    1967-05-15

    After an introductory discussion of various methods for correction of experimental left-right ratios for polarized multiple-scattering and finite-geometry effects necessary and sufficient formulas for consistent tracking of polarization effects in successive scattering orders are derived. The simplifying assumptions are then made that the scattering is purely elastic and nuclear, and that in the description of the kinematics of the arbitrary Scattering {mu}, only one triple-parameter - the so-called spin rotation parameter {beta}{sup ({mu})} - is required. Based upon these formulas a general discussion of the importance of the correct inclusion of polarization effects in any scattering order is presented. Special attention is then paid to the question of depolarization of an already polarized beam. Subsequently, the afore-mentioned formulas are incorporated in the comprehensive Monte Carlo program MULTPOL, which has been designed so as to correctly account for finite-geometry effects in the sense that both the scattering sample and the detectors (both having cylindrical shapes) are objects of finite dimensions located at finite distances from each other and from the source of polarized fast-neutrons. A special feature of MULTPOL is the application of the method of correlated sampling for reduction of the standard deviations .of the results of the simulated experiment. Typical data of performance of MULTPOL have been obtained by the application of this program to the correction of experimental polarization data observed in n + '{sup 12}C elastic scattering between 1 and 2 MeV. Finally, in the concluding remarks the possible modification of MULTPOL to other experimental geometries is briefly discussed.

  2. Developing an Experimental Simulation Method for Rock Avalanches: Fragmentation Behavior of Brittle Analogue Material

    Science.gov (United States)

    Thordén Haug, Øystein; Rosenau, Matthias; Leever, Karen; Oncken, Onno

    2013-04-01

    Gravitational mass movement on earth and other planets show a scale dependent behavior, of which the physics is not fully understood. In particular, the runout distance for small to medium sized landslides (volume dynamics control small and large landslides/rock avalanches. Several mechanisms have been proposed to explain this scale dependent behavior, but no consensus has been reached. Experimental simulations of rock avalanches usually involve transport of loose granular material down a chute. Though such granular avalanche models provide important insights into avalanche dynamics, they imply that the material fully disintegrate instantaneously. Observations from nature, however, suggests that a transition from solid to "liquid" occurs over some finite distance downhill, critically controlling the mobility and energy budget of the avalanche. Few experimental studies simulated more realistically the material failing during sliding and those were realized in a labscale centrifuge, where the range of volumes/scales is limited. To develop a new modeling technique to study the scale dependent runout behavior of rock avalanches, we designed, tested and verified several brittle materials allowing fragmentation to occur under normal gravity conditions. According to the model similarity theory, the analogue material must behave dynamically similar to the rocks in natural rock avalanches. Ideally, the material should therefore deform in a brittle manner with limited elastic and ductile strains up to a certain critical stress, beyond which the material breaks and deforms irreversibly. According to scaling relations derived from dimensional analysis and for a model-to-prototype length ratio of 1/1000, the appropriate yield strength for an analogue material is in the order of 10 kPa, friction coefficient around 0.8 and stiffness in the order of MPa. We used different sand (garnet, quartz) in combination with different matrix materials (sugar, salt, starch, plaster) to cement

  3. Nonlinear response time-dependent density functional theory combined with the effective fragment potential method

    Energy Technology Data Exchange (ETDEWEB)

    Zahariev, Federico; Gordon, Mark S., E-mail: mark@si.msg.chem.iastate.edu [Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States)

    2014-05-14

    This work presents an extension of the linear response TDDFT/EFP method to the nonlinear-response regime together with the implementation of nonlinear-response TDDFT/EFP in the quantum-chemistry computer package GAMESS. Included in the new method is the ability to calculate the two-photon absorption cross section and to incorporate solvent effects via the EFP method. The nonlinear-response TDDFT/EFP method is able to make correct qualitative predictions for both gas phase values and aqueous solvent shifts of several important nonlinear properties.

  4. Adaptive frozen orbital treatment for the fragment molecular orbital method combined with density-functional tight-binding

    Science.gov (United States)

    Nishimoto, Yoshio; Fedorov, Dmitri G.

    2018-02-01

    The exactly analytic gradient is derived and implemented for the fragment molecular orbital (FMO) method combined with density-functional tight-binding (DFTB) using adaptive frozen orbitals. The response contributions which arise from freezing detached molecular orbitals on the border between fragments are computed by solving Z-vector equations. The accuracy of the energy, its gradient, and optimized structures is verified on a set of representative inorganic materials and polypeptides. FMO-DFTB is applied to optimize the structure of a silicon nano-wire, and the results are compared to those of density functional theory and experiment. FMO accelerates the DFTB calculation of a boron nitride nano-ring with 7872 atoms by a factor of 406. Molecular dynamics simulations using FMO-DFTB applied to a 10.7 μm chain of boron nitride nano-rings, consisting of about 1.2 × 106 atoms, reveal the rippling and twisting of nano-rings at room temperature.

  5. An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method

    Science.gov (United States)

    Asada, Naoya; Fedorov, Dmitri G.; Kitaura, Kazuo; Nakanishi, Isao; Merz, Kenneth M.

    2012-01-01

    We propose an approach based on the overlapping multicenter ONIOM to evaluate intermolecular interaction energies in large systems and demonstrate its accuracy on several representative systems in the complete basis set limit at the MP2 and CCSD(T) level of theory. In the application to the intermolecular interaction energy between insulin dimer and 4′-hydroxyacetanilide at the MP2/CBS level, we use the fragment molecular orbital method for the calculation of the entire complex assigned to the lowest layer in three-layer ONIOM. The developed method is shown to be efficient and accurate in the evaluation of the protein-ligand interaction energies. PMID:23050059

  6. [Analysis of Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods].

    Science.gov (United States)

    Poltev, V I; Anisimov, V M; Sanchez, C; Deriabina, A; Gonzalez, E; Garcia, D; Rivas, F; Polteva, N A

    2016-01-01

    It is generally accepted that the important characteristic features of the Watson-Crick duplex originate from the molecular structure of its subunits. However, it still remains to elucidate what properties of each subunit are responsible for the significant characteristic features of the DNA structure. The computations of desoxydinucleoside monophosphates complexes with Na-ions using density functional theory revealed a pivotal role of DNA conformational properties of single-chain minimal fragments in the development of unique features of the Watson-Crick duplex. We found that directionality of the sugar-phosphate backbone and the preferable ranges of its torsion angles, combined with the difference between purines and pyrimidines. in ring bases, define the dependence of three-dimensional structure of the Watson-Crick duplex on nucleotide base sequence. In this work, we extended these density functional theory computations to the minimal' fragments of DNA duplex, complementary desoxydinucleoside monophosphates complexes with Na-ions. Using several computational methods and various functionals, we performed a search for energy minima of BI-conformation for complementary desoxydinucleoside monophosphates complexes with different nucleoside sequences. Two sequences are optimized using ab initio method at the MP2/6-31++G** level of theory. The analysis of torsion angles, sugar ring puckering and mutual base positions of optimized structures demonstrates that the conformational characteristic features of complementary desoxydinucleoside monophosphates complexes with Na-ions remain within BI ranges and become closer to the corresponding characteristic features of the Watson-Crick duplex crystals. Qualitatively, the main characteristic features of each studied complementary desoxydinucleoside monophosphates complex remain invariant when different computational methods are used, although the quantitative values of some conformational parameters could vary lying within the

  7. Stokes vector based interpolation method to improve the efficiency of bio-inspired polarization-difference imaging in turbid media

    Science.gov (United States)

    Guan, Jinge; Ren, Wei; Cheng, Yaoyu

    2018-04-01

    We demonstrate an efficient polarization-difference imaging system in turbid conditions by using the Stokes vector of light. The interaction of scattered light with the polarizer is analyzed by the Stokes-Mueller formalism. An interpolation method is proposed to replace the mechanical rotation of the polarization axis of the analyzer theoretically, and its performance is verified by the experiment at different turbidity levels. We show that compared with direct imaging, the Stokes vector based imaging method can effectively reduce the effect of light scattering and enhance the image contrast.

  8. A novel method for analysing key corticosteroids in polar bear (Ursus maritimus) hair using liquid chromatography tandem mass spectrometry

    DEFF Research Database (Denmark)

    Weisser, Johan; Hansen, Martin; Björklund, Erland

    2016-01-01

    . This procedure allows for the simultaneous determination of multiple steroids, which is in contrast to previous polar bear studies based on ELISA techniques. Absolute method recoveries were 81%, 75% and 60% for cortisol, corticosterone and aldosterone, respectively. We applied the developed method on a hair......This paper presents the development and evaluation of a methodology for extraction, clean-up and analysis of three key corticosteroids (aldosterone, cortisol and corticosterone) in polar bear hair. Such a methodology can be used to monitor stress biomarkers in polar bears and may provide...

  9. A Novel Method for Performance Analysis of OFDM Polarization Diversity System in Ricean Fading Environment

    DEFF Research Database (Denmark)

    Ilic-Delibasic, M.; Pejanovic-Djurisic, M.; Prasad, R.

    2012-01-01

    OFDM (Orthogonal Frequency Division Multiplexing) is proven to be a very effective modulation and multiple access technique that enables high data rate transmission. Due to its good performance it is already implemented in several standardized technologies, and it is very promising technique...... conditions. In order to calculate BER (Bit Error Rate) for the considered OFDM polarization diversity system with a certain level of the received signals correlation, we propose a novel analytical method. The obtained results are compared with the ones attained by simulation....

  10. Method of photo-etching and photogravure using fission fragment and/or alpha ray etch tracks from toned photographs

    International Nuclear Information System (INIS)

    Thackray, M.

    1973-01-01

    A method is described for reproducing a photographic image on a normally non-photo-receptive surface comprising the steps of: 1) toning the photograph with substances which combine with or replace the silver grains so that the photograph emits either spontaneously or indirectly fission fragments or alpha particles in amounts related to the distribution of the silver grains in the photograph; 2) placing the toned photograph contiguous with the surface on which the image is to be reproduced, for sufficient time for the emissions from the photograph to reproduce the image as a radiation-damage image on the surface, the damage areas having a close positional relationship to the silver grains in the original photograph. (author)

  11. Method of reproducing images using fission fragments and/or alpha ray etch tracks from toned photographs

    International Nuclear Information System (INIS)

    Thackray, M.

    1976-01-01

    A method is described for producing a photographic image on a normally non-photo-receptive surface comprising the steps of 1) toning the photograph with substances which combine with or replace the silver grains so that the photograph emits either spontaneously or indirectly fission fragments or alpha particles in amounts related to the distribution of the silver grains in the photograph, 2) placing the toned photograph contiguous with the surface on which the image is to be reproduced, for sufficient time for the emissions from the photograph to reproduce the image as a radiation-damage image on the surface, the damage areas having a close positional relationship to the silver grains in the original photograph. (author)

  12. The development of a ballistic method for simulating fragments from buried explosive devices

    NARCIS (Netherlands)

    Jagt-Deutekom, M.J. van der

    2016-01-01

    No standard scientific methodology currently exists to assess the performance of personal protection equipment (PPE) against secondary debris, such as soil, grit and stones, ejected when a buried improvised explosive device (IED) detonates. Different test methods are used for this evaluation. The

  13. Nuclear fragmentation

    International Nuclear Information System (INIS)

    Chung, K.C.

    1989-01-01

    An introduction to nuclear fragmentation, with emphasis in percolation ideas, is presented. The main theoretical models are discussed and as an application, the uniform expansion approximation is presented and the statistical multifragmentation model is used to calculate the fragment energy spectra. (L.C.)

  14. Dynameomics: Data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction

    Science.gov (United States)

    Rysavy, Steven J; Beck, David AC; Daggett, Valerie

    2014-01-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼25–75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. PMID:25142412

  15. Dynameomics: data-driven methods and models for utilizing large-scale protein structure repositories for improving fragment-based loop prediction.

    Science.gov (United States)

    Rysavy, Steven J; Beck, David A C; Daggett, Valerie

    2014-11-01

    Protein function is intimately linked to protein structure and dynamics yet experimentally determined structures frequently omit regions within a protein due to indeterminate data, which is often due protein dynamics. We propose that atomistic molecular dynamics simulations provide a diverse sampling of biologically relevant structures for these missing segments (and beyond) to improve structural modeling and structure prediction. Here we make use of the Dynameomics data warehouse, which contains simulations of representatives of essentially all known protein folds. We developed novel computational methods to efficiently identify, rank and retrieve small peptide structures, or fragments, from this database. We also created a novel data model to analyze and compare large repositories of structural data, such as contained within the Protein Data Bank and the Dynameomics data warehouse. Our evaluation compares these structural repositories for improving loop predictions and analyzes the utility of our methods and models. Using a standard set of loop structures, containing 510 loops, 30 for each loop length from 4 to 20 residues, we find that the inclusion of Dynameomics structures in fragment-based methods improves the quality of the loop predictions without being dependent on sequence homology. Depending on loop length, ∼ 25-75% of the best predictions came from the Dynameomics set, resulting in lower main chain root-mean-square deviations for all fragment lengths using the combined fragment library. We also provide specific cases where Dynameomics fragments provide better predictions for NMR loop structures than fragments from crystal structures. Online access to these fragment libraries is available at http://www.dynameomics.org/fragments. © 2014 The Protein Society.

  16. Separation and Depleted Uranium Fragments from Gun Test Catchment. Volume 2. Catchment System and Separations Methods

    Science.gov (United States)

    1993-12-30

    Reference 3) was to demonstrate methods of microfiltration of uranium- contaminated water generated during munitions tests at Eglin AFB and to determine...compliance with the 10 CFR 20 standard. TTI Engineering of Norwood, Maine, fabricated and tested a pilot-scale microfiltration system to compare the...by drawing an analogy with the time constant of a spring. Writing the restoring force of a spring as F=-kAx L (7) where k - spring constant, N Ax

  17. Nuclear-charge polarization at scission in fission from moderately excited light-actinide nuclei

    International Nuclear Information System (INIS)

    Nishinaka, Ichiro

    2009-01-01

    Fragment mass yields and the average neutron multiplicity in the proton-induced fission of 232 Th and 238 U were measured by a double time-of-flight method. The most probable charges of secondary fragments were evaluated from the fragment mass yields measured by the double time-of-flight method and the fractional cumulative and independent yields reported in literature. The nuclear-charge polarization of primary fragments at scission was obtained by correcting the most probable charge of secondary fragments for neutron evaporation. The results show that the nuclear-charge polarization at scission is associated with the liquid-drop properties of nuclei and the proton shell effect with Z = 50 of heavy fragments and that it is practically insensitive to mass and excitation energy of the fissioning nucleus in the region of light-actinide nuclei. (author)

  18. The second-order polarization propagator approximation (SOPPA) method coupled to the polarizable continuum model

    DEFF Research Database (Denmark)

    Eriksen, Janus Juul; Solanko, Lukasz Michal; Nåbo, Lina J.

    2014-01-01

    2) wave function coupled to PCM, we introduce dynamical PCM solvent effects only in the Random Phase Approximation (RPA) part of the SOPPA response equations while the static solvent contribution is kept in both the RPA terms as well as in the higher order correlation matrix components of the SOPPA...... response equations. By dynamic terms, we refer to contributions that describe a change in environmental polarization which, in turn, reflects a change in the core molecular charge distribution upon an electronic excitation. This new combination of methods is termed PCM-SOPPA/RPA. We apply this newly...... defined method to the challenging cases of solvent effects on the lowest and intense electronic transitions in o-, m- and p-nitroaniline and o-, m- and p-nitrophenol and compare the performance of PCM-SOPPA/RPA with more conventional approaches. Compared to calculations based on time-dependent density...

  19. Standard Reference Test Method for Making Potentiostatic and Potentiodynamic Anodic Polarization Measurements

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2004-01-01

    1.1 This test method covers an experimental procedure for checking experimental technique and instrumentation. If followed, this test method will provide repeatable potentiostatic and potentiodynamic anodic polarization measurements that will reproduce data determined by others at other times and in other laboratories provided all laboratories are testing reference samples from the same lot of Type 430 stainless steel. 1.2 Values stated in SI units are to be regarded as the standard. Inch-pound units given in parentheses are for information only. 1.3 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  20. Oxide properties of autoclaved zircaloy cladding tubes investigated by the photoelectric polarization method

    International Nuclear Information System (INIS)

    Nystrand, A.C.

    2000-06-01

    Corrosion of zirconium alloys is an important lifetime limiting factor for the nuclear reactor fuel. The corrosion resistance of a metal is highly dependent on the ability of the surface metal oxide to transport electrons and ions, which is related to the stoichiometry of the oxide and the oxide defect concentration. The Photoelectric Polarization Method (PEP) is a structure sensitive method which earlier has been investigated as a possible method to study the defect structure in zirconium oxides. The purpose of the following work is, by using more optimized experimental equipment, to verify if the PEP method is a suitable method to study the defect structure in zirconium oxides and to predict the corrosion resistance for different zirconium alloys. The conclusions from the experiments are as follows: - The modifications of the experimental setup by means of a new source of light (deuterium lamp) and a new oscilloscope with an amplifier gave distinct Vpep signals. - The photoresponse is negative for all types of cladding and under all kind of oxidation regimes and hence the oxide is a n-type semiconductor with deficiency of oxygen. - The method needs to be verified by testing semiconductors with a known defect concentration

  1. Development in LIYaF of the method of polarized thermal neutron beam production by mirror reflection

    International Nuclear Information System (INIS)

    Borovikova, N.V.; Bulkin, A.P.; Gukasov, A.G.

    1980-01-01

    Main stages of development of polarizing neutron guide equipment in LIYaF of the USSR Academy of Sciences are described. To carry out experiments on solid-state physics constructed was a working mock-up of a polarizing neutron guide having 1570 mm length of a mirror channel. Successful application of polarizing mirrors to the working mock-up permitted to develop and fabricate five-meter polarizing neutron guide with output flux equal to 1.5x10 7 neutr/cm 2 xs. The following stage of development of polarizing neutron guides was the construction of four-meter neutron guide at the WWR-M reactor with output flux equal to the highest possible. Improvement of optical sections geometry made it possible to produce integral flux of 6.0x10 7 neutr/cm 2 xs in this neutron guide at 15 MW reactor power. The results obtained testify to prospects of the mirror method for polarization of thermal neutrons of a wave length lambda >= A. Neutron guides-polarizators permit to produce high fluxes of polarized thermal neutrons in the wide interval of wave length [ru

  2. A new and efficient culture method for porcine bone marrow-derived M1- and M2-polarized macrophages.

    Science.gov (United States)

    Gao, Jiye; Scheenstra, Maaike R; van Dijk, Albert; Veldhuizen, Edwin J A; Haagsman, Henk P

    2018-06-01

    Macrophages play an important role in the innate immune system as part of the mononuclear phagocyte system (MPS). They have a pro-inflammatory signature (M1-polarized macrophages) or anti-inflammatory signature (M2-polarized macrophages) based on expression of surface receptors and secretion of cytokines. However, very little is known about the culture of macrophages from pigs and more specific about the M1 and M2 polarization in vitro. Porcine monocytes or mononuclear bone marrow cells were used to culture M1- and M2-polarized macrophages in the presence of GM-CSF and M-CSF, respectively. Surface receptor expression was measured with flow cytometry and ELISA was used to quantify cytokine secretion in response to LPS and PAM 3 CSK 4 stimulation. Human monocyte-derived macrophages were used as control. Porcine M1- and M2-polarized macrophages were cultured best using porcine GM-CSF and murine M-CSF, respectively. Cultures from bone marrow cells resulted in a higher yield M1- and M2-polarized macrophages which were better comparable to human monocyte-derived macrophages than cultures from porcine monocytes. Porcine M1-polarized macrophages displayed the characteristic fried egg shape morphology, lower CD163 expression and low IL-10 production. Porcine M2-polarized macrophages contained the spindle-like morphology, higher CD163 expression and high IL-10 production. Porcine M1- and M2-polarized macrophages can be most efficiently cultured from mononuclear bone marrow cells using porcine GM-CSF and murine M-CSF. The new culture method facilitates more refined studies of porcine macrophages in vitro, important for both porcine and human health since pigs are increasingly used as model for translational research. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  3. Dynamic nuclear polarization methods in solids and solutions to explore membrane proteins and membrane systems.

    Science.gov (United States)

    Cheng, Chi-Yuan; Han, Songi

    2013-01-01

    Membrane proteins regulate vital cellular processes, including signaling, ion transport, and vesicular trafficking. Obtaining experimental access to their structures, conformational fluctuations, orientations, locations, and hydration in membrane environments, as well as the lipid membrane properties, is critical to understanding their functions. Dynamic nuclear polarization (DNP) of frozen solids can dramatically boost the sensitivity of current solid-state nuclear magnetic resonance tools to enhance access to membrane protein structures in native membrane environments. Overhauser DNP in the solution state can map out the local and site-specific hydration dynamics landscape of membrane proteins and lipid membranes, critically complementing the structural and dynamics information obtained by electron paramagnetic resonance spectroscopy. Here, we provide an overview of how DNP methods in solids and solutions can significantly increase our understanding of membrane protein structures, dynamics, functions, and hydration in complex biological membrane environments.

  4. An Image Matching Method Based on Fourier and LOG-Polar Transform

    Directory of Open Access Journals (Sweden)

    Zhijia Zhang

    2014-04-01

    Full Text Available This Traditional template matching methods are not appropriate for the situation of large angle rotation between two images in the online detection for industrial production. Aiming at this problem, Fourier transform algorithm was introduced to correct image rotation angle based on its rotatary invariance in time-frequency domain, orienting image under test in the same direction with reference image, and then match these images using matching algorithm based on log-polar transform. Compared with the current matching algorithms, experimental results show that the proposed algorithm can not only match two images with rotation of arbitrary angle, but also possess a high matching accuracy and applicability. In addition, the validity and reliability of algorithm was verified by simulated matching experiment targeting circular images.

  5. Transfer of polarized light in planetary atmospheres basic concepts and practical methods

    CERN Document Server

    Hovenier, Joop W; Domke, Helmut

    2004-01-01

    The principal elements of the theory of polarized light transfer in planetary atmospheres are expounded in a systematic but concise way. Basic concepts and practical methods are emphasized, both for single and multiple scattering of electromagnetic radiation by molecules and particles in the atmospheres of planets in the Solar System, including the Earth, and beyond. A large part of the book is also useful for studies of light scattering by particles in comets, the interplanetary and interstellar medium, circumstellar disks, reflection nebulae, water bodies like oceans and suspensions of particles in a gas or liquid in the laboratory. Throughout the book symmetry principles, such as the reciprocity principle and the mirror symmetry principle, are employed. In this way the theory is made more transparent and easier to understand than in most papers on the subject. In addition, significant computational reductions, resulting from symmetry principles, are presented. Hundreds of references to relevant literature ...

  6. Consistent calculation of the polarization electric dipole moment by the shell-correction method

    International Nuclear Information System (INIS)

    Denisov, V.Yu.

    1992-01-01

    Macroscopic calculations of the polarization electric dipole moment which arises in nuclei with an octupole deformation are discussed in detail. This dipole moment is shown to depend on the position of the center of gravity. The conditions of consistency of the radii of the proton and neutron potentials and the radii of the proton and neutron surfaces, respectively, are discussed. These conditions must be incorporated in a shell-correction calculation of this dipole moment. A correct calculation of this moment by the shell-correction method is carried out. Dipole transitions between (on the one hand) levels belonging to an octupole vibrational band and (on the other) the ground state in rare-earth nuclei with a large quadrupole deformation are studied. 19 refs., 3 figs

  7. Applying polarity rapid assessment method and ultrafiltration to characterize NDMA precursors in wastewater effluents.

    Science.gov (United States)

    Chen, Chao; Leavey, Shannon; Krasner, Stuart W; Mel Suffet, I H

    2014-06-15

    Certain nitrosamines in water are disinfection byproducts that are probable human carcinogens. Nitrosamines have diverse and complex precursors that include effluent organic matter, some anthropogenic chemicals, and natural (likely non-humic) substances. An easy and selective tool was first developed to characterize nitrosamine precursors in treated wastewaters, including different process effluents. This tool takes advantages of the polarity rapid assessment method (PRAM) and ultrafiltration (UF) (molecular weight distribution) to locate the fractions with the strongest contributions to the nitrosamine precursor pool in the effluent organic matter. Strong cation exchange (SCX) and C18 solid-phase extraction cartridges were used for their high selectivity for nitrosamine precursors. The details of PRAM operation, such as cartridge clean-up, capacity, pH influence, and quality control were included in this paper, as well as the main parameters of UF operation. Preliminary testing of the PRAM/UF method with effluents from one wastewater treatment plant gave very informative results. SCX retained 45-90% of the N-nitrosodimethylamine (NDMA) formation potential (FP)-a measure of the precursors-in secondary and tertiary wastewater effluents. These results are consistent with NDMA precursors likely having a positively charged amine group. C18 adsorbed 30-45% of the NDMAFP, which indicates that a substantial portion of these precursors were non-polar. The small molecular weight (MW) (10 kDa) fractions obtained from UF were the primary contributors to NDMAFP. The combination of PRAM and UF brings important information on the characteristics of nitrosamine precursors in water with easy operation. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Transplantation of storm-generated coral fragments to enhance Caribbean coral reefs: A successful method but not a solution

    Directory of Open Access Journals (Sweden)

    Virginia H. Garrison

    2012-03-01

    Full Text Available In response to dramatic losses of reef-building corals and ongoing lack of recovery, a small-scale coral transplant project was initiated in the Caribbean (U.S. Virgin Islands in 1999 and was followed for 12 years. The primary objectives were to (1 identify a source of coral colonies for transplantation that would not result in damage to reefs, (2 test the feasibility of transplanting storm-generated coral fragments, and (3 develop a simple, inexpensive method for transplanting fragments that could be conducted by the local community. The ultimate goal was to enhance abundance of threatened reef-building species on local reefs. Storm-produced coral fragments of two threatened reef-building species [Acropora palmata and A. cervicornis (Acroporidae] and another fast-growing species [Porites porites (Poritidae] were collected from environments hostile to coral fragment survival and transplanted to degraded reefs. Inert nylon cable ties were used to attach transplanted coral fragments to dead coral substrate. Survival of 75 reference colonies and 60 transplants was assessed over 12 years. Only 9% of colonies were alive after 12 years: no A. cervicornis; 3% of A. palmata transplants and 18% of reference colonies; and 13% of P. porites transplants and 7% of reference colonies. Mortality rates for all species were high and were similar for transplant and reference colonies. Physical dislodgement resulted in the loss of 56% of colonies, whereas 35% died in place. Only A. palmata showed a difference between transplant and reference colony survival and that was in the first year only. Location was a factor in survival only for A. palmata reference colonies and after year 10. Even though the tested methods and concepts were proven effective in the field over the 12-year study, they do not present a solution. No coral conservation strategy will be effective until underlying intrinsic and/or extrinsic factors driving high mortality rates are understood and

  9. Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods

    Energy Technology Data Exchange (ETDEWEB)

    Keating, Kristina [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Slater, Lee [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Ntarlagiannis, Dimitris [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Williams, Kenneth H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division

    2015-02-24

    This documents contains the final report for the project "Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods" (DE-SC0007049) Executive Summary: Our research aimed to develop borehole measurement techniques capable of monitoring subsurface processes, such as changes in pore geometry and iron/sulfur geochemistry, associated with remediation of heavy metals and radionuclides. Previous work has demonstrated that geophysical method spectral induced polarization (SIP) can be used to assess subsurface contaminant remediation; however, SIP signals can be generated from multiple sources limiting their interpretation value. Integrating multiple geophysical methods, such as nuclear magnetic resonance (NMR) and magnetic susceptibility (MS), with SIP, could reduce the ambiguity of interpretation that might result from a single method. Our research efforts entails combining measurements from these methods, each sensitive to different mineral forms and/or mineral-fluid interfaces, providing better constraints on changes in subsurface biogeochemical processes and pore geometries significantly improving our understanding of processes impacting contaminant remediation. The Rifle Integrated Field Research Challenge (IFRC) site was used as a test location for our measurements. The Rifle IFRC site is located at a former uranium ore-processing facility in Rifle, Colorado. Leachate from spent mill tailings has resulted in residual uranium contamination of both groundwater and sediments within the local aquifer. Studies at the site include an ongoing acetate amendment strategy, native microbial populations are stimulated by introduction of carbon intended to alter redox conditions and immobilize uranium. To test the geophysical methods in the field, NMR and MS logging measurements were collected before, during, and after acetate amendment. Next, laboratory NMR, MS, and SIP measurements

  10. Development of Extended Ray-tracing method including diffraction, polarization and wave decay effects

    Science.gov (United States)

    Yanagihara, Kota; Kubo, Shin; Dodin, Ilya; Nakamura, Hiroaki; Tsujimura, Toru

    2017-10-01

    Geometrical Optics Ray-tracing is a reasonable numerical analytic approach for describing the Electron Cyclotron resonance Wave (ECW) in slowly varying spatially inhomogeneous plasma. It is well known that the result with this conventional method is adequate in most cases. However, in the case of Helical fusion plasma which has complicated magnetic structure, strong magnetic shear with a large scale length of density can cause a mode coupling of waves outside the last closed flux surface, and complicated absorption structure requires a strong focused wave for ECH. Since conventional Ray Equations to describe ECW do not have any terms to describe the diffraction, polarization and wave decay effects, we can not describe accurately a mode coupling of waves, strong focus waves, behavior of waves in inhomogeneous absorption region and so on. For fundamental solution of these problems, we consider the extension of the Ray-tracing method. Specific process is planned as follows. First, calculate the reference ray by conventional method, and define the local ray-base coordinate system along the reference ray. Then, calculate the evolution of the distributions of amplitude and phase on ray-base coordinate step by step. The progress of our extended method will be presented.

  11. Assessing the composition of fragmented agglutinated foraminiferal assemblages in ancient sediments: comparison of counting and area-based methods in Famennian samples (Late Devonian)

    Science.gov (United States)

    Girard, Catherine; Dufour, Anne-Béatrice; Charruault, Anne-Lise; Renaud, Sabrina

    2018-01-01

    Benthic foraminifera have been used as proxies for various paleoenvironmental variables such as food availability, carbon flux from surface waters, microhabitats, and indirectly water depth. Estimating assemblage composition based on morphotypes, as opposed to genus- or species-level identification, potentially loses important ecological information but opens the way to the study of ancient time periods. However, the ability to accurately constrain benthic foraminiferal assemblages has been questioned when the most abundant foraminifera are fragile agglutinated forms, particularly prone to fragmentation. Here we test an alternate method for accurately estimating the composition of fragmented assemblages. The cumulated area per morphotype method is assessed, i.e., the sum of the area of all tests or fragments of a given morphotype in a sample. The percentage of each morphotype is calculated as a portion of the total cumulated area. Percentages of different morphotypes based on counting and cumulated area methods are compared one by one and analyzed using principal component analyses, a co-inertia analysis, and Shannon diversity indices. Morphotype percentages are further compared to an estimate of water depth based on microfacies description. Percentages of the morphotypes are not related to water depth. In all cases, counting and cumulated area methods deliver highly similar results, suggesting that the less time-consuming traditional counting method may provide robust estimates of assemblages. The size of each morphotype may deliver paleobiological information, for instance regarding biomass, but should be considered carefully due to the pervasive issue of fragmentation.

  12. Chameleon fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Brax, Philippe [Institut de Physique Théorique, CEA, IPhT, CNRS, URA 2306, F-91191Gif/Yvette Cedex (France); Upadhye, Amol, E-mail: philippe.brax@cea.fr, E-mail: aupadhye@anl.gov [Institute for the Early Universe, Ewha University, International Education, Building #601, 11-1, Daehyun-Dong Seodaemun-Gu, Seoul 120-750 (Korea, Republic of)

    2014-02-01

    A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ{sup 4} and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments.

  13. Chameleon fragmentation

    International Nuclear Information System (INIS)

    Brax, Philippe; Upadhye, Amol

    2014-01-01

    A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signature which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ 4 and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments

  14. Retrieve polarization aberration from image degradation: a new measurement method in DUV lithography

    Science.gov (United States)

    Xiang, Zhongbo; Li, Yanqiu

    2017-10-01

    Detailed knowledge of polarization aberration (PA) of projection lens in higher-NA DUV lithographic imaging is necessary due to its impact to imaging degradations, and precise measurement of PA is conductive to computational lithography techniques such as RET and OPC. Current in situ measurement method of PA thorough the detection of degradations of aerial images need to do linear approximation and apply the assumption of 3-beam/2-beam interference condition. The former approximation neglects the coupling effect of the PA coefficients, which would significantly influence the accuracy of PA retrieving. The latter assumption restricts the feasible pitch of test masks in higher-NA system, conflicts with the Kirhhoff diffraction model of test mask used in retrieving model, and introduces 3D mask effect as a source of retrieving error. In this paper, a new in situ measurement method of PA is proposed. It establishes the analytical quadratic relation between the PA coefficients and the degradations of aerial images of one-dimensional dense lines in coherent illumination through vector aerial imaging, which does not rely on the assumption of 3-beam/2- beam interference and linear approximation. In this case, the retrieval of PA from image degradation can be convert from the nonlinear system of m-quadratic equations to a multi-objective quadratic optimization problem, and finally be solved by nonlinear least square method. Some preliminary simulation results are given to demonstrate the correctness and accuracy of the new PA retrieving model.

  15. Comparison of soft-input-soft-output detection methods for dual-polarized quadrature duobinary system

    Science.gov (United States)

    Chang, Chun; Huang, Benxiong; Xu, Zhengguang; Li, Bin; Zhao, Nan

    2018-02-01

    Three soft-input-soft-output (SISO) detection methods for dual-polarized quadrature duobinary (DP-QDB), including maximum-logarithmic-maximum-a-posteriori-probability-algorithm (Max-log-MAP)-based detection, soft-output-Viterbi-algorithm (SOVA)-based detection, and a proposed SISO detection, which can all be combined with SISO decoding, are presented. The three detection methods are investigated at 128 Gb/s in five-channel wavelength-division-multiplexing uncoded and low-density-parity-check (LDPC) coded DP-QDB systems by simulations. Max-log-MAP-based detection needs the returning-to-initial-states (RTIS) process despite having the best performance. When the LDPC code with a code rate of 0.83 is used, the detecting-and-decoding scheme with the SISO detection does not need RTIS and has better bit error rate (BER) performance than the scheme with SOVA-based detection. The former can reduce the optical signal-to-noise ratio (OSNR) requirement (at BER=10-5) by 2.56 dB relative to the latter. The application of the SISO iterative detection in LDPC-coded DP-QDB systems makes a good trade-off between requirements on transmission efficiency, OSNR requirement, and transmission distance, compared with the other two SISO methods.

  16. Creation of a longitudinally polarized subwavelength hotspot with an ultra-thin planar lens: vectorial Rayleigh–Sommerfeld method

    International Nuclear Information System (INIS)

    Ye, Huapeng; Qiu, Cheng-Wei; Huang, Kun; Yeo, Swee Ping; Teng, Jinghua; Luk’yanchuk, Boris

    2013-01-01

    This letter shows how a longitudinally polarized hotspot can be created by a planar ultra-thin lens that beats the diffraction limit. On the imaging plane, a subwavelength optical resolution 0.39λ with almost purely longitudinal electric component has been demonstrated in air ambient. This novel paradigm addresses simultaneously both longitudinal polarization and deep sub-diffraction imaging, by a planar lens composed of ultra-thin opaque concentric annuli. The vectorial Rayleigh–Sommerfeld (VRS) approach, offering the advantage of significant reduction in computation, has been developed for a particular optimization of a flat lens with full control of polarization. Empowered by the robustness of VRS in dealing with polarization states, the proposed roadmap may be universally and efficiently integrated with other optimization algorithms to design super-resolution imaging with controlled polarization states at any wavelength without luminescence of the object. The lens, which is empowered by the proposed method, opens an avenue for the first time toward a highly integrated imaging system with advanced functionalities in far-field super-imaging, tailored polarization states and flat ultra-thin geometry simultaneously. (letter)

  17. A novel method for in Situ detection of hydrolyzable casein fragments in a cheese matrix by antibody phage display technique and CLSM

    DEFF Research Database (Denmark)

    Duan, Zhi; Brüggemann, Dagmar Adeline; Siegumfeldt, Henrik

    2009-01-01

    three small synthetic peptides of the alpha(s1)-casein sequence. These peptides traverse enzymatic cleavage sites of casein during cheese ripening. The specificity of the generated anti-peptide antibodies was determined by ELISA and Western blot. Finally, an immunofluorescent labeling protocol......A novel method to monitor in situ hydrolyzable casein fragments during cheese ripening by using immunofluorescent labeling and confocal laser scanning microscopy (CLSM) was developed. Monoclonal single chain variable fragments of antibody (scFvs) were generated by antibody phage display toward...

  18. A New Method for Simulating Power Flow Density Focused by a Silicon Lens Antenna Irradiated with Linearly Polarized THz Wave

    Directory of Open Access Journals (Sweden)

    Catur Apriono

    2015-08-01

    Full Text Available A terahertz system uses dielectric lens antennas for focusing and collimating beams of terahertz wave radiation. Linearly polarized terahertz wave radiation has been widely applied in the terahertz system. Therefore, an accurate method for analyzing the power flow density in the dielectric lens antenna irradiated with the linearly polarized terahertz wave radiation is important to design the terahertz systems. In optics, ray-tracing method has been used to calculate the power flow density by a number density of rays. In this study, we propose a method of ray-tracing combined with Fresnel’s transmission, including transmittance and polarization of the terahertz wave radiation to calculate power flow density in a Silicon lens antenna. We compare power flow density calculated by the proposed method with the regular ray-tracing method. When the Silicon lens antenna is irradiated with linearly polarized terahertz wave radiation, the proposed method calculates the power flow density more accurately than the regular ray-tracing.

  19. Fragmentation of deuterons on nucleons in the infinite momentum frame

    International Nuclear Information System (INIS)

    Dolidze, M.G.; Lykasov, G.I.

    1989-01-01

    A method for the analysis of interactions between fast deuterons and nucleons is developed taking into account both the relativistic effects in the deuteron and the mechanism of their interaction. The inclusive proton spectra and the polarization characteristics are investigated on the example of the fragmentation type processes of deuterons on nucleons. A strong sensitivity of the deuteron polarization tensor component T 20 both to the reaction mechanisms and to the relativistic structure of the deuteron is shown. The probable existence of the 6q-state in the deuteron in those reactions is discussed. 24 refs.; 3 figs

  20. Bespoke Fragments

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2017-01-01

    The PhD project Bespoke Fragments is investigating the space emerging in the exploration of the relationship between digital drawing and fabrication, and the field of materials and their properties and capacities. Through a series of different experiments, the project situates itself in a shuttli...

  1. Rock fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Brown, W.S.; Green, S.J.; Hakala, W.W.; Hustrulid, W.A.; Maurer, W.C. (eds.)

    1976-01-01

    Experts in rock mechanics, mining, excavation, drilling, tunneling and use of underground space met to discuss the relative merits of a wide variety of rock fragmentation schemes. Information is presented on novel rock fracturing techniques; tunneling using electron beams, thermocorer, electric spark drills, water jets, and diamond drills; and rock fracturing research needs for mining and underground construction. (LCL)

  2. Three-Dimensional Induced Polarization Parallel Inversion Using Nonlinear Conjugate Gradients Method

    Directory of Open Access Journals (Sweden)

    Huan Ma

    2015-01-01

    Full Text Available Four kinds of array of induced polarization (IP methods (surface, borehole-surface, surface-borehole, and borehole-borehole are widely used in resource exploration. However, due to the presence of large amounts of the sources, it will take much time to complete the inversion. In the paper, a new parallel algorithm is described which uses message passing interface (MPI and graphics processing unit (GPU to accelerate 3D inversion of these four methods. The forward finite differential equation is solved by ILU0 preconditioner and the conjugate gradient (CG solver. The inverse problem is solved by nonlinear conjugate gradients (NLCG iteration which is used to calculate one forward and two “pseudo-forward” modelings and update the direction, space, and model in turn. Because each source is independent in forward and “pseudo-forward” modelings, multiprocess modes are opened by calling MPI library. The iterative matrix solver within CULA is called in each process. Some tables and synthetic data examples illustrate that this parallel inversion algorithm is effective. Furthermore, we demonstrate that the joint inversion of surface and borehole data produces resistivity and chargeability results are superior to those obtained from inversions of individual surface data.

  3. Multi-layer solid-phase extraction and evaporation-enrichment methods for polar organic chemicals from aqueous matrices.

    Science.gov (United States)

    Köke, Niklas; Zahn, Daniel; Knepper, Thomas P; Frömel, Tobias

    2018-03-01

    Analysis of polar organic chemicals in the aquatic environment is exacerbated by the lack of suitable and widely applicable enrichment methods. In this work, we assessed the suitability of a novel combination of well-known solid-phase extraction (SPE) materials in one cartridge as well as an evaporation method and for the enrichment of 26 polar model substances (predominantly log D evaporation method were investigated for the recovery and matrix effects of the model substances and analyzed with hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS). In total, 65% of the model substances were amenable (> 10% recovery) to the mlSPE method with a mean recovery of 76% while 73% of the model substances were enriched with the evaporation method achieving a mean recovery of 78%. Target and non-target screening comparison of both methods with a frequently used reversed-phase SPE method utilizing "hydrophilic and lipophilic balanced" (HLB) material was performed. Target analysis showed that the mlSPE and evaporation method have pronounced advantages over the HLB method since the HLB material retained only 30% of the model substances. Non-target screening of a ground water sample with the investigated enrichment methods showed that the median retention time of all detected features on a HILIC system decreased in the order mlSPE (3641 features, median t R 9.7 min), evaporation (1391, 9.3 min), HLB (4414, 7.2 min), indicating a higher potential of the described methods to enrich polar analytes from water compared with HLB-SPE. Graphical abstract Schematic of the method evaluation (recovery and matrix effects) and method comparison (target and non-target analysis) of the two investigated enrichment methods for very polar chemicals in aqueousmatrices.

  4. Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes

    International Nuclear Information System (INIS)

    Gastegger, Michael; Kauffmann, Clemens; Marquetand, Philipp; Behler, Jörg

    2016-01-01

    Many approaches, which have been developed to express the potential energy of large systems, exploit the locality of the atomic interactions. A prominent example is the fragmentation methods in which the quantum chemical calculations are carried out for overlapping small fragments of a given molecule that are then combined in a second step to yield the system’s total energy. Here we compare the accuracy of the systematic molecular fragmentation approach with the performance of high-dimensional neural network (HDNN) potentials introduced by Behler and Parrinello. HDNN potentials are similar in spirit to the fragmentation approach in that the total energy is constructed as a sum of environment-dependent atomic energies, which are derived indirectly from electronic structure calculations. As a benchmark set, we use all-trans alkanes containing up to eleven carbon atoms at the coupled cluster level of theory. These molecules have been chosen because they allow to extrapolate reliable reference energies for very long chains, enabling an assessment of the energies obtained by both methods for alkanes including up to 10 000 carbon atoms. We find that both methods predict high-quality energies with the HDNN potentials yielding smaller errors with respect to the coupled cluster reference.

  5. Comparing the accuracy of high-dimensional neural network potentials and the systematic molecular fragmentation method: A benchmark study for all-trans alkanes

    Energy Technology Data Exchange (ETDEWEB)

    Gastegger, Michael; Kauffmann, Clemens; Marquetand, Philipp, E-mail: philipp.marquetand@univie.ac.at [Institute of Theoretical Chemistry, Faculty of Chemistry, University of Vienna, Währinger Straße 17, Vienna (Austria); Behler, Jörg [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, Bochum (Germany)

    2016-05-21

    Many approaches, which have been developed to express the potential energy of large systems, exploit the locality of the atomic interactions. A prominent example is the fragmentation methods in which the quantum chemical calculations are carried out for overlapping small fragments of a given molecule that are then combined in a second step to yield the system’s total energy. Here we compare the accuracy of the systematic molecular fragmentation approach with the performance of high-dimensional neural network (HDNN) potentials introduced by Behler and Parrinello. HDNN potentials are similar in spirit to the fragmentation approach in that the total energy is constructed as a sum of environment-dependent atomic energies, which are derived indirectly from electronic structure calculations. As a benchmark set, we use all-trans alkanes containing up to eleven carbon atoms at the coupled cluster level of theory. These molecules have been chosen because they allow to extrapolate reliable reference energies for very long chains, enabling an assessment of the energies obtained by both methods for alkanes including up to 10 000 carbon atoms. We find that both methods predict high-quality energies with the HDNN potentials yielding smaller errors with respect to the coupled cluster reference.

  6. Robust Object Tracking Using Valid Fragments Selection.

    Science.gov (United States)

    Zheng, Jin; Li, Bo; Tian, Peng; Luo, Gang

    Local features are widely used in visual tracking to improve robustness in cases of partial occlusion, deformation and rotation. This paper proposes a local fragment-based object tracking algorithm. Unlike many existing fragment-based algorithms that allocate the weights to each fragment, this method firstly defines discrimination and uniqueness for local fragment, and builds an automatic pre-selection of useful fragments for tracking. Then, a Harris-SIFT filter is used to choose the current valid fragments, excluding occluded or highly deformed fragments. Based on those valid fragments, fragment-based color histogram provides a structured and effective description for the object. Finally, the object is tracked using a valid fragment template combining the displacement constraint and similarity of each valid fragment. The object template is updated by fusing feature similarity and valid fragments, which is scale-adaptive and robust to partial occlusion. The experimental results show that the proposed algorithm is accurate and robust in challenging scenarios.

  7. A new method for generating axially-symmetric and radially-polarized beams

    International Nuclear Information System (INIS)

    Niu Chunhui; Gu Benyuan; Dong Bizhen; Zhang Yan

    2005-01-01

    A scheme for generating axially-symmetric and radially-polarized beams is proposed by using two diffractive phase elements (DPEs) made of birefringent materials. The design of these two DPEs is based on the general theory of phase-retrieval of optical system in combination with an iterative algorithm. The first DPE is used for demultiplexing two orthogonally linearly-polarized light beams to produce diffractive patterns, and the second DPE is used for compensating the phase difference to obtain the desired radially-polarized beam

  8. Polarization Nonlinear Optics of Quadratically Nonlinear Azopolymers

    International Nuclear Information System (INIS)

    Konorov, S.O.; Akimov, D.A.; Ivanov, A.A.; Petrov, A.N.; Alfimov, M.V.; Yakimanskii, A.V.; Smirnov, N.N.; Ivanova, V.N.; Kudryavtsev, V.V.; Podshivalov, A.A.; Sokolova, I.M.; Zheltikov, A.M.

    2005-01-01

    The polarization properties of second harmonic and sum-frequency signals generated by femtosecond laser pulses in films of polymers containing covalent groups of an azobenzothiazole chromophore polarized by an external electric field are investigated. It is shown that the methods of polarization nonlinear optics make it possible to determine the structure of oriented molecular dipoles and reveal important properties of the motion of collectivized πelectrons in organic molecules with strong optical nonlinearities. The polarization measurements show that the tensor of quadratic nonlinear optical susceptibility of chromophore fragments oriented by an external field in macromolecules of the noted azopolymers has a degenerate form. This is indicative of a predominantly one-dimensional character of motion of collectivized π electrons along an extended group of atoms in such molecules

  9. Experimental method for investigating γd→pn photodisintegration reaction on the linearly polarized photon beam of the Erevan synchrotron

    International Nuclear Information System (INIS)

    Agababyan, K.Sh.; Adamyan, F.V.; Ajrapetyan, A.V.

    1985-01-01

    The experimental method for measuring the asymmetry of the γd → pn photodisintegration reaction on the linearly polarized photon beam of the Erevan synchrotron is described. The results of Monte Carlo calculations, the calibration of apparatus, the procedure of measurements and experimental data processing are repored

  10. Electrochemical Cathodic Polarization, a Simplified Method That Can Modified and Increase the Biological Activity of Titanium Surfaces: A Systematic Review.

    Directory of Open Access Journals (Sweden)

    Jose Carlos Bernedo Alcazar

    Full Text Available The cathodic polarization seems to be an electrochemical method capable of modifying and coat biomolecules on titanium surfaces, improving the surface activity and promoting better biological responses.The aim of the systematic review is to assess the scientific literature to evaluate the cellular response produced by treatment of titanium surfaces by applying the cathodic polarization technique.The literature search was performed in several databases including PubMed, Web of Science, Scopus, Science Direct, Scielo and EBSCO Host, until June 2016, with no limits used. Eligibility criteria were used and quality assessment was performed following slightly modified ARRIVE and SYRCLE guidelines for cellular studies and animal research.Thirteen studies accomplished the inclusion criteria and were considered in the review. The quality of reporting studies in animal models was low and for the in vitro studies it was high. The in vitro and in vivo results reported that the use of cathodic polarization promoted hydride surfaces, effective deposition, and adhesion of the coated biomolecules. In the experimental groups that used the electrochemical method, cellular viability, proliferation, adhesion, differentiation, or bone growth were better or comparable with the control groups.The use of the cathodic polarization method to modify titanium surfaces seems to be an interesting method that could produce active layers and consequently enhance cellular response, in vitro and in vivo animal model studies.

  11. Ionic polarization

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1992-01-01

    Ferroelectricity occurs in many different kinds of materials. Many of the technologically important solids, which are ferroelectric, can be classified as ionic. Any microscopic theory of ferroelectricity must contain a description of local polarization forces. We have collaborated in the development of a theory of ionic polarization which is quite successful. Its basic assumption is that the polarization is derived from the properties of the individual ions. We have applied this theory successfully to diverse subjects as linear and nonlinear optical response, phonon dispersion, and piezoelectricity. We have developed numerical methods using the local Density approximation to calculate the multipole polarizabilities of ions when subject to various fields. We have also developed methods of calculating the nonlinear hyperpolarizability, and showed that it can be used to explain light scattering experiments. This paper elaborates on this polarization theory

  12. Architectural fragments

    DEFF Research Database (Denmark)

    Bang, Jacob Sebastian

    2018-01-01

    I have created a large collection of plaster models: a collection of Obstructions, errors and opportunities that may develop into architecture. The models are fragments of different complex shapes as well as more simple circular models with different profiling and diameters. In this contect I have....... I try to invent the ways of drawing the models - that decode and unfold them into architectural fragments- into future buildings or constructions in the landscape. [1] Luigi Moretti: Italian architect, 1907 - 1973 [2] Man Ray: American artist, 1890 - 1976. in 2015, I saw the wonderful exhibition...... "Man Ray - Human Equations" at the Glyptotek in Copenhagen, organized by the Philips Collection in Washington D.C. and the Israel Museum in Jerusalem (in 2013). See also: "Man Ray - Human Equations" catalogue published by Hatje Cantz Verlag, Germany, 2014....

  13. Distinguishing between the bone fragments of medium-sized mammals and children. A histological identification method for archaeology.

    NARCIS (Netherlands)

    Cuijpers, A.G.F.M.

    2009-01-01

    In archaeology, it is not always possible to identify bone fragments. A novel approach was chosen to assess the potential of histology as an identification tool. Instead of studying a few bones of different categories from many species, this study concentrated on the diaphyses of long bones in four

  14. Fragmentation of molecular ions in differential mobility spectrometry as a method for identification of chemical warfare agents.

    Science.gov (United States)

    Maziejuk, M; Puton, J; Szyposzyńska, M; Witkiewicz, Z

    2015-11-01

    The subject of the work is the use of differential mobility spectrometry (DMS) for the detection of chemical warfare agents (CWA). Studies were performed for mustard gas, i.e., bis(2-chloroethyl)sulfide (HD), sarin, i.e., O-isopropyl methylphosphonofluoridate (GB) and methyl salicylate (MS) used as test compounds. Measurements were conducted with two ceramic DMS analyzers of different constructions allowing the generation of an electric field with an intensity of more than 120 Td. Detector signals were measured for positive and negative modes of operation in a temperature range from 0 to 80 °C. Fragmentations of ions containing analyte molecules were observed for all tested compounds. The effective temperatures of fragmentation estimated on the basis of dispersion plots were equal from about 148 °C for GB to 178 °C for MS. It was found that values of separation voltage (SV) and compensation voltage (CV) at which the fragmentation of sample ions is observed may be the parameters improving the certainty of detection for different analytes. The DMS analyzers enabling the observation of ion fragmentation can be successfully used for effective CWA detection. Copyright © 2015. Published by Elsevier B.V.

  15. A novel autonomous real-time position method based on polarized light and geomagnetic field

    OpenAIRE

    Wang, Yinlong; Chu, Jinkui; Zhang, Ran; Wang, Lu; Wang, Zhiwen

    2015-01-01

    Many animals exploit polarized light in order to calibrate their magnetic compasses for navigation. For example, some birds are equipped with biological magnetic and celestial compasses enabling them to migrate between the Western and Eastern Hemispheres. The Vikings' ability to derive true direction from polarized light is also widely accepted. However, their amazing navigational capabilities are still not completely clear. Inspired by birds' and Vikings' ancient navigational skills. Here we...

  16. AFLP fragment isolation technique as a method to produce random sequences for single nucleotide polymorphism discovery in the green turtle, Chelonia mydas.

    Science.gov (United States)

    Roden, Suzanne E; Dutton, Peter H; Morin, Phillip A

    2009-01-01

    The green sea turtle, Chelonia mydas, was used as a case study for single nucleotide polymorphism (SNP) discovery in a species that has little genetic sequence information available. As green turtles have a complex population structure, additional nuclear markers other than microsatellites could add to our understanding of their complex life history. Amplified fragment length polymorphism technique was used to generate sets of random fragments of genomic DNA, which were then electrophoretically separated with precast gels, stained with SYBR green, excised, and directly sequenced. It was possible to perform this method without the use of polyacrylamide gels, radioactive or fluorescent labeled primers, or hybridization methods, reducing the time, expense, and safety hazards of SNP discovery. Within 13 loci, 2547 base pairs were screened, resulting in the discovery of 35 SNPs. Using this method, it was possible to yield a sufficient number of loci to screen for SNP markers without the availability of prior sequence information.

  17. Laser-polarized xenon-129 magnetic resonance spectroscopy and imaging. The development of a method for in vivo perfusion measurement

    Science.gov (United States)

    Rosen, Matthew Scot

    2001-07-01

    This thesis presents in vivo nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) studies with laser-polarized 129Xe delivered to living rats by inhalation and transported to tissue via blood flow. The results presented herein include the observation, assignment, and dynamic measurement of 129Xe resonances in the brain and body, the first one- and two-dimensional chemical-shift-resolved images of 129Xe in blood, tissue, and gas in the thorax, and the first images of 129Xe in brain tissue. These results establish that laser-polarized 129Xe can be used as a magnetic resonance tracer in vivo. NMR resonances at 0, 191, 198, and 209 ppm relative to the 129 Xe gas resonance are observed in the rat thorax and assigned to 129Xe in gas, fat, tissue, and blood respectively. Resonances at 189, 192, 195, 198, and 209 ppm are observed in the brain, and the 195 and 209 ppm resonances are assigned to 129Xe in grey matter, and blood, respectively. The design and construction of a laser-polarized 129Xe production and delivery system is described. This system produces liter-volumes of laser- polarized 129Xe by spin-exchange optical- pumping. It represented an order of magnitude increase over previously reported production volumes of polarized 129Xe. At approximately 3-7% polarization, 157 cc-atm of xenon is produced and stored as ice every 5 minutes. This reliable, effective, and simple production method for large volumes of 129Xe can be applied to other areas of research involving the use of laser-polarized noble gases. A model of the in vivo transport of laser polarized 129Xe to tissue under realistic experimental NMR conditions is described. Appropriate control of the NMR parameters is shown to allow tissue perfasion and 129Xe tissue T1 to be extracted from measurement of the steady-state 129Xe tissue signal. In vivo rodent 129Xe NMR results are used to estimate the signal-to-noise ratio of this technique, and an inhaled 30% xenon/70% O2 mixture polarized to 5

  18. CT image reconstruction of steel pipe section from few projections using the method of rotating polar-coordinate

    International Nuclear Information System (INIS)

    Peng Shuaijun; Wu Zhifang

    2008-01-01

    Fast online inspection in steel pipe production is a big challenge. Radiographic CT imaging technology, a high performance non-destructive testing method, is quite appropriate for inspection and quality control of steel pipes. The method of rotating polar-coordinate is used to reconstruct the steel pipe section from few projections with the purpose of inspecting it online. It reduces the projection number needed and the data collection time, and accelerates the reconstruction algorithm and saves the inspection time evidently. The results of simulation experiment and actual experiment indicate that the image quality and reconstruction time of rotating polar-coordinate method meet the requirements of inspecting the steel tube section online basically. The study is of some theoretical significance and the method is expected to be widely used in practice. (authors)

  19. Workshop on polarized neutron filters and polarized pulsed neutron experiments

    International Nuclear Information System (INIS)

    Itoh, Shinichi

    2004-07-01

    The workshop was held in KEK by thirty-three participants on April 26, 2004. The polarized neutron filter method was only discussed. It consists of three parts; the first part was discussed on the polarized neutron methods, the second part on the polarized neutron experiments and the third on the pulse neutron spectrometer and polarized neutron experiments. The six papers were presented such as the polarized 3 He neutron spin filter, neutron polarization by proton polarized filter, soft master and neutron scattering, polarized neutron in solid physics, polarization experiments by chopper spectroscope and neutron polarization system in superHRPD. (S.Y.)

  20. A novel method for analysing key corticosteroids in polar bear (Ursus maritimus) hair using liquid chromatography tandem mass spectrometry.

    Science.gov (United States)

    Weisser, Johan J; Hansen, Martin; Björklund, Erland; Sonne, Christian; Dietz, Rune; Styrishave, Bjarne

    2016-04-01

    This paper presents the development and evaluation of a methodology for extraction, clean-up and analysis of three key corticosteroids (aldosterone, cortisol and corticosterone) in polar bear hair. Such a methodology can be used to monitor stress biomarkers in polar bears and may provide as a useful tool for long-term and retrospective information. We developed a combined pressurized liquid extraction (PLE)-solid phase extraction (SPE) procedure for corticosteroid extraction and clean-up followed by high pressure liquid chromatography tandem mass spectrometry (HPLC-MS/MS) analysis. This procedure allows for the simultaneous determination of multiple steroids, which is in contrast to previous polar bear studies based on ELISA techniques. Absolute method recoveries were 81%, 75% and 60% for cortisol, corticosterone and aldosterone, respectively. We applied the developed method on a hair sample pooled from four East Greenland polar bears. Herein cortisol and corticosterone were successfully determined in levels of 0.32±0.02ng/g hair and 0.13±0.02ng/g hair, respectively. Aldosterone was below limit of detection (LODpolar bears was consistent with cortisol levels previously determined in the Southern Hudson Bay and James Bay in Canada using ELISA kits. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Intermediate Fragment

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2015-01-01

    This text and its connected exhibition are aiming to reflect both on the thoughts, the processes and the outcome of the design and production of the artefact ‘Intermediate Fragment’ and making as a contemporary architectural tool in general. Intermediate Fragment was made for the exhibition ‘Enga...... of realising an exhibition object was conceived, but expanded, refined and concretised through this process. The context of the work shown here is an interest in a tighter, deeper connection between experimentally obtained material knowledge and architectural design....

  2. Fragmentation based

    Directory of Open Access Journals (Sweden)

    Shashank Srivastava

    2014-01-01

    Gaining the understanding of mobile agent architecture and the security concerns, in this paper, we proposed a security protocol which addresses security with mitigated computational cost. The protocol is a combination of self decryption, co-operation and obfuscation technique. To circumvent the risk of malicious code execution in attacking environment, we have proposed fragmentation based encryption technique. Our encryption technique suits the general mobile agent size and provides hard and thorny obfuscation increasing attacker’s challenge on the same plane providing better performance with respect to computational cost as compared to existing AES encryption.

  3. Bespoke Fragments

    DEFF Research Database (Denmark)

    Kruse Aagaard, Anders

    2016-01-01

    , investigating levels of control and uncertainty encountering with these. Through tangible experiments, the project discusses materiality and digitally controlled fabrications tools as direct expansions of the architect's digital drawing and workflow. The project sees this expansion as an opportunity to connect...... architectural designs, tectonics and aesthetics. In this Ph.D.-project a series a physical, but conceptual, experiment plays the central role in the knowledge production. The experiments result in materialised architectural fragments and tangible experiences. However, these creations also become the driving...

  4. General method of preparation of uniformly 13C, 15N-labeled DNA fragments for NMR analysis of DNA structures

    International Nuclear Information System (INIS)

    Rene, Brigitte; Masliah, Gregoire; Zargarian, Loussine; Mauffret, Olivier; Fermandjian, Serge

    2006-01-01

    Summary 13 C, 15 N labeling of biomolecules allows easier assignments of NMR resonances and provides a larger number of NMR parameters, which greatly improves the quality of DNA structures. However, there is no general DNA-labeling procedure, like those employed for proteins and RNAs. Here, we describe a general and widely applicable approach designed for preparation of isotopically labeled DNA fragments that can be used for NMR studies. The procedure is based on the PCR amplification of oligonucleotides in the presence of labeled deoxynucleotides triphosphates. It allows great flexibility thanks to insertion of a short DNA sequence (linker) between two repeats of DNA sequence to study. Size and sequence of the linker are designed as to create restriction sites at the junctions with DNA of interest. DNA duplex with desired sequence and size is released upon enzymatic digestion of the PCR product. The suitability of the procedure is validated through the preparation of two biological relevant DNA fragments

  5. Repositioning the substrate activity screening (SAS) approach as a fragment-based method for identification of weak binders.

    Science.gov (United States)

    Gladysz, Rafaela; Cleenewerck, Matthias; Joossens, Jurgen; Lambeir, Anne-Marie; Augustyns, Koen; Van der Veken, Pieter

    2014-10-13

    Fragment-based drug discovery (FBDD) has evolved into an established approach for "hit" identification. Typically, most applications of FBDD depend on specialised cost- and time-intensive biophysical techniques. The substrate activity screening (SAS) approach has been proposed as a relatively cheap and straightforward alternative for identification of fragments for enzyme inhibitors. We have investigated SAS for the discovery of inhibitors of oncology target urokinase (uPA). Although our results support the key hypotheses of SAS, we also encountered a number of unreported limitations. In response, we propose an efficient modified methodology: "MSAS" (modified substrate activity screening). MSAS circumvents the limitations of SAS and broadens its scope by providing additional fragments and more coherent SAR data. As well as presenting and validating MSAS, this study expands existing SAR knowledge for the S1 pocket of uPA and reports new reversible and irreversible uPA inhibitor scaffolds. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Polarization switching detection method using a ferroelectric liquid crystal for dichroic atomic vapor laser lock frequency stabilization techniques.

    Science.gov (United States)

    Dudzik, Grzegorz; Rzepka, Janusz; Abramski, Krzysztof M

    2015-04-01

    We present a concept of the polarization switching detection method implemented for frequency-stabilized lasers, called the polarization switching dichroic atomic vapor laser lock (PSDAVLL) technique. It is a combination of the well-known dichroic atomic vapor laser lock method for laser frequency stabilization with a synchronous detection system based on the surface-stabilized ferroelectric liquid crystal (SSFLC).The SSFLC is a polarization switch and quarter wave-plate component. This technique provides a 9.6 dB better dynamic range ratio (DNR) than the well-known two-photodiode detection configuration known as the balanced polarimeter. This paper describes the proposed method used practically in the VCSEL laser frequency stabilization system. The applied PSDAVLL method has allowed us to obtain a frequency stability of 2.7×10⁻⁹ and a reproducibility of 1.2×10⁻⁸, with a DNR of detected signals of around 81 dB. It has been shown that PSDAVLL might be successfully used as a method for spectra-stable laser sources.

  7. TX-RX isolation method based on polarization diversity, spatial diversity and TX beamforming

    DEFF Research Database (Denmark)

    Foroozanfard, Ehsan; Carvalho, Elisabeth De; Pedersen, Gert F.

    2016-01-01

    In this paper, the feasibility of an antenna isolation technique based on null-steer beamforming, polarization diversity and spatial diversity is investigated. The proposed system consists of six patch antennas which are fed by a feeding network to obtain a null-steer beamformer. To achieve spatial...... diversity, antenna elements are located on two layers, facing in a different direction. Moreover, the antenna elements in two layers use different polarization. The measured results of the antenna system present a high TX-RX isolation in the order of 70 dB which shows the feasibility of such a system...

  8. Numerical method to optimize the polar-azimuthal orientation of infrared superconducting-nanowire single-photon detectors.

    Science.gov (United States)

    Csete, Mária; Sipos, Áron; Najafi, Faraz; Hu, Xiaolong; Berggren, Karl K

    2011-11-01

    A finite-element method for calculating the illumination-dependence of absorption in three-dimensional nanostructures is presented based on the radio frequency module of the Comsol Multiphysics software package (Comsol AB). This method is capable of numerically determining the optical response and near-field distribution of subwavelength periodic structures as a function of illumination orientations specified by polar angle, φ, and azimuthal angle, γ. The method was applied to determine the illumination-angle-dependent absorptance in cavity-based superconducting-nanowire single-photon detector (SNSPD) designs. Niobium-nitride stripes based on dimensions of conventional SNSPDs and integrated with ~ quarter-wavelength hydrogen-silsesquioxane-filled nano-optical cavity and covered by a thin gold film acting as a reflector were illuminated from below by p-polarized light in this study. The numerical results were compared to results from complementary transfer-matrix-method calculations on composite layers made of analogous film-stacks. This comparison helped to uncover the optical phenomena contributing to the appearance of extrema in the optical response. This paper presents an approach to optimizing the absorptance of different sensing and detecting devices via simultaneous numerical optimization of the polar and azimuthal illumination angles. © 2011 Optical Society of America

  9. Methods for polarized light emission from CdSe quantum dot based monolithic pillar microcavities

    Energy Technology Data Exchange (ETDEWEB)

    Seyfried, Moritz; Kalden, Joachim; Sebald, Kathrin; Gutowski, Juergen; Kruse, Carsten; Hommel, Detlef [Institute of Solid State Physics, University of Bremen (Germany)

    2010-07-01

    A lifting of the polarization degeneracy of the fundamental cavity mode in pillar microcavities (MCs) would allow for controlling the polarization state of the emitted photons. Therefore, monolithic VCSEL structures were grown by molecular beam epitaxy containing either one CdSe/ZnSSe quantum dot layer or three quantum well layers as active material. By using focused-ion-beam etching, MC pillars with different geometries were prepared out of the planar samples. Among these are circularly shaped pillar MCs with diameters in the range from 500 nm up to 4 {mu}m and quality factors of up to 7860, elliptically shaped MCs, and so-called photonic molecules consisting of circular pillar MCs which are connected by small bars. Polarization dependent photoluminescence investigations of the fundamental cavity mode reveal a lifting of the polarization degeneracy for all three types of MCs. The energy splitting of up to 0.42 meV in the circularly shaped pillar MCs is probably caused by anisotropic strain conditions within the sample and directly dependent on the pillar diameter, whereas the larger energy splitting of up to 0.72 meV for the photonic molecules or even 4.5 meV for the elliptically shaped MC is based on their asymmetric cross sections.

  10. Method to locate the polar cap boundary in the nightside ionosphere and application to a substorm event

    Directory of Open Access Journals (Sweden)

    A. T. Aikio

    2006-08-01

    Full Text Available In this paper we describe a new method to be used for the polar cap boundary (PCB determination in the nightside ionosphere by using the EISCAT Svalbard radar (ESR field-aligned measurements by the 42-m antenna and southward directed low-elevation measurements by the ESR 32 m antenna or northward directed low-elevation measurements by the EISCAT VHF radar at Tromsø. The method is based on increased electron temperature (Te caused by precipitating particles on closed field lines. Since the Svalbard field-aligned measurement provides the reference polar cap Te height profile, the method can be utilised only when the PCB is located between Svalbard and the mainland. Comparison with the Polar UVI images shows that the radar-based method is generally in agreement with the PAE (poleward auroral emission boundary from Polar UVI. The new technique to map the polar cap boundary was applied to a substorm event on 6 November 2002. Simultaneous measurements by the MIRACLE magnetometers enabled us to put the PCB location in the framework of ionospheric electrojets. During the substorm growth phase, the polar cap expands and the region of the westward electrojet shifts gradually more apart from the PCB. The substorm onset takes place deep within the region of closed magnetic field region, separated by about 6–7° in latitude from the PCB in the ionosphere. We interpret the observations in the framework of the near-Earth neutral line (NENL model of substorms. After the substorm onset, the reconnection at the NENL reaches within 3 min the open-closed field line boundary and then the PCB moves poleward together with the poleward boundary of the substorm current wedge. The poleward expansion occurs in the form of individual bursts, which are separated by 2–10 min, indicating that the reconnection in the magnetotail neutral line is impulsive. The poleward expansions of the PCB are followed by latitude dispersed intensifications in the westward electrojet

  11. Framing Fragmentation

    DEFF Research Database (Denmark)

    Bundgaard, Charlotte

    2009-01-01

    Contemporary industrialized architecture based on advanced information technology and highly technological production processes, implies a radically different approach to architecture than what we have experienced in the past. Works of architecture composed of prefabricated building components......, contain distinctive architectural traits, not only based on rational repetition, but also supporting composition and montage as dynamic concepts. Prefab architecture is an architecture of fragmentation, individualization and changeability, and this sets up new challenges for the architect. This paper...... tries to develop a strategy for the architect dealing with industrially based architecture; a strategy which exploits architectural potentials in industrial building, which recognizes the rules of mass production and which redefines the architect’s position among the agents of building. If recent...

  12. QSPR studies for predicting polarity parameter of organic compounds in methanol using support vector machine and enhanced replacement method.

    Science.gov (United States)

    Golmohammadi, H; Dashtbozorgi, Z

    2016-12-01

    In the present work, enhanced replacement method (ERM) and support vector machine (SVM) were used for quantitative structure-property relationship (QSPR) studies of polarity parameter (p) of various organic compounds in methanol in reversed phase liquid chromatography based on molecular descriptors calculated from the optimized structures. Diverse kinds of molecular descriptors were calculated to encode the molecular structures of compounds, such as geometric, thermodynamic, electrostatic and quantum mechanical descriptors. The variable selection method of ERM was employed to select an optimum subset of descriptors. The five descriptors selected using ERM were used as inputs of SVM to predict the polarity parameter of organic compounds in methanol. The coefficient of determination, r 2 , between experimental and predicted polarity parameters for the prediction set by ERM and SVM were 0.952 and 0.982, respectively. Acceptable results specified that the ERM approach is a very effective method for variable selection and the predictive aptitude of the SVM model is superior to those obtained by ERM. The obtained results demonstrate that SVM can be used as a substitute influential modeling tool for QSPR studies.

  13. Modification of the method of polarized orbitals for electron--alkali-metal scattering: Application to e-Li

    International Nuclear Information System (INIS)

    Bhatia, A.K.; Temkin, A.; Silver, A.; Sullivan, E.C.

    1978-01-01

    The method of polarized orbitals is modified to treat low-energy scattering of electrons from highly polarizable systems, specifically alkali-metal atoms. The modification is carried out in the particular context of the e-Li system, but the procedure is general; it consists of modifying the polarized orbital, so that when used in the otherwise orthodox form of the method, it gives (i) the correct electron affinity of the negative ion (in this case Li - ), (ii) the proper (i.e., Levinson-Swan) number of nodes of the associated zero-energy scattering orbital, and (iii) the correct polarizability. A procedure is devised whereby the scattering length can be calculated from the (known) electron affinity without solving the bound-state equation. Using this procedure we adduce a 1 S scattering length of 8.69a 0 . (The 3 S scattering length is -9.22a 0 .) The above modifications can also be carried out in the (lesser) exchange adiabatic approximation. However, they lead to qualitatively incorrect 3 S phase shifts. The modified polarized-orbital phase shifts are qualitatively similar to close-coupling and elaborate variational calculations. Quantitative differences from the latter calculations, however, remain; they are manifested most noticeably in the very-low-energy total and differential spin-flip cross sections

  14. Detection of Ground Clutter from Weather Radar Using a Dual-Polarization and Dual-Scan Method

    Directory of Open Access Journals (Sweden)

    Mohammad-Hossein Golbon-Haghighi

    2016-06-01

    Full Text Available A novel dual-polarization and dual-scan (DPDS classification algorithm is developed for clutter detection in weather radar observations. Two consecutive scans of dual-polarization radar echoes are jointly processed to estimate auto- and cross-correlation functions. Discriminants are then defined and estimated in order to separate clutter from weather based on their physical and statistical properties. An optimal Bayesian classifier is used to make a decision on clutter presence from the estimated discriminant functions. The DPDS algorithm is applied to the data collected with the KOUN polarimetric radar and compared with the existing detection methods. It is shown that the DPDS algorithm yields a higher probability of detection and lower false alarm rate in clutter detection.

  15. Simulation of natural convection in an inclined polar cavity using a finite-difference lattice Boltzmann method

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fan; Yang, Haicheng; Guo, Xueyan; Ren Dai [University of Shanghai for Science and Technology, Shanghai (China); Yan, Yonghua [Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering, Shanghai (China); Liu, Chaoqun [University of Texas at Arlington, Arlington (United States)

    2017-06-15

    Natural convection heat transfer in an inclined polar cavity was studied using a Finite-difference lattice Boltzmann method (FDLBM) based on a double-population approach for body-fitted coordinates. A D2G9 model coupled with the simplest TD2Q4 lattice model was applied to determine the velocity field and temperature field. For both velocity and temperature fields, the discrete spatial derivatives were obtained by combining the upwind scheme with the central scheme, and the discrete temporal term is obtained using a fourth-order Runge-Kutta scheme. Studies were carried out for different Rayleigh numbers and different inclination angles. The results in terms of streamlines, isotherms, and Nusselt numbers explain the heat transfer mechanism of natural convection in an inclined polar cavity due to the change of Rayleigh number and inclination angle.

  16. Scattering with polarized neutrons

    International Nuclear Information System (INIS)

    Schweizer, J.

    2007-01-01

    In the history of neutron scattering, it was shown very soon that the use of polarized neutron beams brings much more information than usual scattering with unpolarized neutrons. We shall develop here the different scattering methods that imply polarized neutrons: 1) polarized beams without polarization analysis, the flipping ratio method; 2) polarized beams with a uniaxial polarization analysis; 3) polarized beams with a spherical polarization analysis. For all these scattering methods, we shall give examples of the physical problems which can been solved by these methods, particularly in the field of magnetism: investigation of complex magnetic structures, investigation of spin or magnetization densities in metals, insulators and molecular compounds, separation of magnetic and nuclear scattering, investigation of magnetic properties of liquids and amorphous materials and even, for non magnetic material, separation between coherent and incoherent scattering. (author)

  17. Comparison and combination of "direct" and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

    Science.gov (United States)

    Guo, Yang; Becker, Ute; Neese, Frank

    2018-03-01

    Local correlation theories have been developed in two main flavors: (1) "direct" local correlation methods apply local approximation to the canonical equations and (2) fragment based methods reconstruct the correlation energy from a series of smaller calculations on subsystems. The present work serves two purposes. First, we investigate the relative efficiencies of the two approaches using the domain-based local pair natural orbital (DLPNO) approach as the "direct" method and the cluster in molecule (CIM) approach as the fragment based approach. Both approaches are applied in conjunction with second-order many-body perturbation theory (MP2) as well as coupled-cluster theory with single-, double- and perturbative triple excitations [CCSD(T)]. Second, we have investigated the possible merits of combining the two approaches by performing CIM calculations with DLPNO methods serving as the method of choice for performing the subsystem calculations. Our cluster-in-molecule approach is closely related to but slightly deviates from approaches in the literature since we have avoided real space cutoffs. Moreover, the neglected distant pair correlations in the previous CIM approach are considered approximately. Six very large molecules (503-2380 atoms) were studied. At both MP2 and CCSD(T) levels of theory, the CIM and DLPNO methods show similar efficiency. However, DLPNO methods are more accurate for 3-dimensional systems. While we have found only little incentive for the combination of CIM with DLPNO-MP2, the situation is different for CIM-DLPNO-CCSD(T). This combination is attractive because (1) the better parallelization opportunities offered by CIM; (2) the methodology is less memory intensive than the genuine DLPNO-CCSD(T) method and, hence, allows for large calculations on more modest hardware; and (3) the methodology is applicable and efficient in the frequently met cases, where the largest subsystem calculation is too large for the canonical CCSD(T) method.

  18. A measure of the interfacial shear strength between SiC(CVD)/B(CVD) filament--aluminum matrix by fragmentation method

    International Nuclear Information System (INIS)

    Jiang, Y.Q.; Chen, X.J.; Yang, D.M.; Fei, X.; Pan, J.

    1993-01-01

    The tensile specimens used are of dog-bone shape and consist of single axial SiC (CVD) /B (CVD) filament processed by CVD and embedded in a LD-2 aluminum alloy. Model composite specimens have been fabricated by a high pressure squeeze casting technique. This paper describes the application of an Acoustic Emission Technique for locating the position of fiber breaks and thus determining the length distribution of fiber fragments resulting when a composite specimen containing a single fiber is loaded to failure. The critical lengths (minimal lengths) are checked by Corrosion Method

  19. Polarized neutrons

    International Nuclear Information System (INIS)

    Williams, W.G.

    1988-01-01

    The book on 'polarized neutrons' is intended to inform researchers in condensed matter physics and chemistry of the diversity of scientific problems that can be investigated using polarized neutron beams. The contents include chapters on:- neutron polarizers and instrumentation, polarized neutron scattering, neutron polarization analysis experiments and precessing neutron polarization. (U.K.)

  20. Mycobacterium avium restriction fragment lenght polymorphism-IS IS1245 and the simple double repetitive element polymerase chain reaction typing method to screen genetic diversity in Brazilian strains

    Directory of Open Access Journals (Sweden)

    Patrícia Carvalho de Sequeira

    2005-11-01

    Full Text Available Simple double repetitive element polymerase chain reaction (MaDRE-PCR and Pvu II-IS1245 restriction fragment length polymorphism (RFLP typing methods were used to type 41 Mycobacterium avium isolates obtained from 14 Aids inpatients and 10 environment and animals specimens identified among 53 mycobacteria isolated from 237 food, chicken, and pig. All environmental and animals strains showed orphan patterns by both methods. By MaDRE-PCR four patients, with multiple isolates, showed different patterns, suggesting polyclonal infection that was confirmed by RFLP in two of them. This first evaluation of MaDRE-PCR on Brazilian M. avium strains demonstrated that the method seems to be useful as simple and less expensive typing method for screening genetic diversity in M. avium strains on selected epidemiological studies, although with limitation on analysis identical patterns except for one band.

  1. A fragment separator at LBL for beta-NMR experiment

    International Nuclear Information System (INIS)

    Matsuta, K.; Ozawa, A.; Nojiri, Y.; Minamisono, T.; Fukuda, M.; Kitagawa, A.; Ohtsubo, T.; Momota, S.; Fukuda, S.; Matsuo, Y.; Takechi, H.; Minami, I.; Sugimoto, K.; Tanihata, I.; Omata, K.; Alonso, J.R.; Krebs, G.F.; Symons, T.J.M.

    1992-03-01

    The Beam 44 fragment separator was built at the Bevalac of LBL for NMR studies of beta emitting nuclei. 37 K, 39 Ca, and 43 Ti fragments originating from 40 Ca and 46 Ti primary beams were separated by the separator for NMR studies on these nuclei. Nuclear spin polarization was created in 39 Ca and 43 Ti using the tilted foil technique (TFT), and the magnetic moment of 43 Ti was deduced. Fragment polarization was measured for 37 K and 39 Ca emitted to finite deflection angles. The Beam 44 fragment separator in combination with a proper polarization technique, such as TFT or fragment polarization, has been very effective for such NMR studies

  2. New method for preparing a liquid crystal polymer that exhibits linearly polarized white fluorescence

    International Nuclear Information System (INIS)

    Zheng Shijun; Kun, Wang; Kobayashi, Takaomi

    2011-01-01

    With the aim of developing a single-chain white-light-emitting polymer, liquid crystal (LC) polymers with a shish-kebab-type moiety on their cross-conjugated (p-phenylene)s-poly(p-phenylenevinylene)s main chain were synthesized by Gilch polymerization. They were characterized by nuclear magnetic resonance (NMR), gel permeation chromatography (GPC), differential scanning calorimetry (DSC), X-ray diffraction (XRD), and polarizing optical microscopy (POM). 1 H-NMR indicated that the polymers had a shish-kebab structure, which strongly suppressed the formation of structural defects in the polymers. DSC revealed that the polymers had thermotropic LC properties, indicating that the LC polymers were enantiotropic. XRD showed that the polymers had a mesophase, which implies that they were in a smectic LC phase. A polymer with 'kebabs' of 2,5-bis(4'-alkoxyphenyl)benzene was combined with an aligned polyimide film with orientated microgrooves. The polymer main chain was aligned due to the orientation of the 'kebabs' of the uniform cross-conjugated structure. It lay between the kebabs and the 'shish' of the polymer main chains. The aligned polymer main chain emitted yellow light while and the oriented LC side chains emitted blue light emission. These two emissions resulted in linearly polarized white fluorescence.

  3. Analysis of polarization methods for elimination of power overshoot in microbial fuel cells

    KAUST Repository

    Watson, Valerie J.; Logan, Bruce E.

    2011-01-01

    Polarization curves from microbial fuel cells (MFCs) often show an unexpectedly large drop in voltage with increased current densities, leading to a phenomenon in the power density curve referred to as "power overshoot". Linear sweep voltammetry (LSV, 1 mV s- 1) and variable external resistances (at fixed intervals of 20 min) over a single fed-batch cycle in an MFC both resulted in power overshoot in power density curves due to anode potentials. Increasing the anode enrichment time from 30 days to 100 days did not eliminate overshoot, suggesting that insufficient enrichment of the anode biofilm was not the primary cause. Running the reactor at a fixed resistance for a full fed-batch cycle (~ 1 to 2 days), however, completely eliminated the overshoot in the power density curve. These results show that long times at a fixed resistance are needed to stabilize current generation by bacteria in MFCs, and that even relatively slow LSV scan rates and long times between switching circuit loads during a fed-batch cycle may produce inaccurate polarization and power density results for these biological systems. © 2010 Elsevier B.V. All rights reserved.

  4. A method for automatic grain segmentation of multi-angle cross-polarized microscopic images of sandstone

    Science.gov (United States)

    Jiang, Feng; Gu, Qing; Hao, Huizhen; Li, Na; Wang, Bingqian; Hu, Xiumian

    2018-06-01

    Automatic grain segmentation of sandstone is to partition mineral grains into separate regions in the thin section, which is the first step for computer aided mineral identification and sandstone classification. The sandstone microscopic images contain a large number of mixed mineral grains where differences among adjacent grains, i.e., quartz, feldspar and lithic grains, are usually ambiguous, which make grain segmentation difficult. In this paper, we take advantage of multi-angle cross-polarized microscopic images and propose a method for grain segmentation with high accuracy. The method consists of two stages, in the first stage, we enhance the SLIC (Simple Linear Iterative Clustering) algorithm, named MSLIC, to make use of multi-angle images and segment the images as boundary adherent superpixels. In the second stage, we propose the region merging technique which combines the coarse merging and fine merging algorithms. The coarse merging merges the adjacent superpixels with less evident boundaries, and the fine merging merges the ambiguous superpixels using the spatial enhanced fuzzy clustering. Experiments are designed on 9 sets of multi-angle cross-polarized images taken from the three major types of sandstones. The results demonstrate both the effectiveness and potential of the proposed method, comparing to the available segmentation methods.

  5. [A non-invasive glucose measurement method based on orthogonal twin-polarized light and its pilot experimental investigation].

    Science.gov (United States)

    Wang, Hong; Wu, Baoming; Liu, Ding

    2010-04-01

    In order to overcome the existing shortcomings of the non-invasive blood glucose polarized light measurement methods of optical heterodyne detection and direct detection, we present in this paper a new orthogonal twin-polarized light (OTPL) non-invasive blood glucose measurement method, which converts the micro-angle rotated by an optical active substance such as glucose to the energy difference of OTPL, amplifies the signals by the high-sensitivity lock-in amplifier made of relevant principle, controls Faraday coil current to compensate the changes in deflection angle caused by blood glucose, and makes use of the linear relationship between blood glucose concentration and Faraday coil current to calculate blood glucose concentration. In our comparative experiment using the data measured by LX-20 automatic biochemical analyzer as a standard, a 0.9777 correlation coefficient is obtained in glucose concentration experiment, and a 0.952 in serum experiment. The result shows that this method has higher detection sensitivity and accuracy and lays a foundation for the development of practical new type of non-invasive blood glucose tester for diabetic patients.

  6. Native Frames: Disentangling Sequential from Concerted Three-Body Fragmentation

    Science.gov (United States)

    Rajput, Jyoti; Severt, T.; Berry, Ben; Jochim, Bethany; Feizollah, Peyman; Kaderiya, Balram; Zohrabi, M.; Ablikim, U.; Ziaee, Farzaneh; Raju P., Kanaka; Rolles, D.; Rudenko, A.; Carnes, K. D.; Esry, B. D.; Ben-Itzhak, I.

    2018-03-01

    A key question concerning the three-body fragmentation of polyatomic molecules is the distinction of sequential and concerted mechanisms, i.e., the stepwise or simultaneous cleavage of bonds. Using laser-driven fragmentation of OCS into O++C++S+ and employing coincidence momentum imaging, we demonstrate a novel method that enables the clear separation of sequential and concerted breakup. The separation is accomplished by analyzing the three-body fragmentation in the native frame associated with each step and taking advantage of the rotation of the intermediate molecular fragment, CO2 + or CS2 + , before its unimolecular dissociation. This native-frame method works for any projectile (electrons, ions, or photons), provides details on each step of the sequential breakup, and enables the retrieval of the relevant spectra for sequential and concerted breakup separately. Specifically, this allows the determination of the branching ratio of all these processes in OCS3 + breakup. Moreover, we find that the first step of sequential breakup is tightly aligned along the laser polarization and identify the likely electronic states of the intermediate dication that undergo unimolecular dissociation in the second step. Finally, the separated concerted breakup spectra show clearly that the central carbon atom is preferentially ejected perpendicular to the laser field.

  7. Method and apparatus for measuring surface movement of an object using a polarizing interferometer

    Science.gov (United States)

    Schultz, T.J.; Kotidis, P.A.; Woodroffe, J.A.; Rostler, P.S.

    1995-05-09

    A system for non-destructively measuring an object and controlling industrial processes in response to the measurement is disclosed in which an impulse laser generates a plurality of sound waves over timed increments in an object. A polarizing interferometer is used to measure surface movement of the object caused by the sound waves and sensed by phase shifts in the signal beam. A photon multiplier senses the phase shift and develops an electrical signal. A signal conditioning arrangement modifies the electrical signals to generate an average signal correlated to the sound waves which in turn is correlated to a physical or metallurgical property of the object, such as temperature, which property may then be used to control the process. External, random vibrations of the workpiece are utilized to develop discernible signals which can be sensed in the interferometer by only one photon multiplier. In addition the interferometer includes an arrangement for optimizing its sensitivity so that movement attributed to various waves can be detected in opaque objects. The interferometer also includes a mechanism for sensing objects with rough surfaces which produce speckle light patterns. Finally the interferometer per se, with the addition of a second photon multiplier is capable of accurately recording beam length distance differences with only one reading. 38 figs.

  8. Fast and Simple Method for Evaluation of Polarization Correction to Propagation Constant of Arbitrary Order Guided Modes in Optical Fibers with Arbitrary Refractive Index Profile

    Directory of Open Access Journals (Sweden)

    Anton Bourdine

    2015-01-01

    Full Text Available This work presents fast and simple method for evaluation of polarization correction to scalar propagation constant of arbitrary order guided modes propagating over weakly guiding optical fibers. Proposed solution is based on earlier on developed modified Gaussian approximation extended for analysis of weakly guiding optical fibers with arbitrary refractive index profile in the core region bounded by single solid outer cladding. Some results are presented that illustrate the decreasing of computational error during the estimation of propagation constant when polarization corrections are taken into account. Analytical expressions for the first and second derivatives of polarization correction are derived and presented.

  9. Determination of the amounts of C, CH, CH/sub 2/, and CH fragments by the spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-01-01

    A new method has been developed for the quantitative determination of the amounts of primary, secondary, tertiary, and quaternary carbon atoms in soluble products of coal origin which is based on pulsed sequence of /sup 13/C NMR spin echo.

  10. A Novel Ship Detection Method Based on Gradient and Integral Feature for Single-Polarization Synthetic Aperture Radar Imagery

    Directory of Open Access Journals (Sweden)

    Hao Shi

    2018-02-01

    Full Text Available With the rapid development of remote sensing technologies, SAR satellites like China’s Gaofen-3 satellite have more imaging modes and higher resolution. With the availability of high-resolution SAR images, automatic ship target detection has become an important topic in maritime research. In this paper, a novel ship detection method based on gradient and integral features is proposed. This method is mainly composed of three steps. First, in the preprocessing step, a filter is employed to smooth the clutters and the smoothing effect can be adaptive adjusted according to the statistics information of the sub-window. Thus, it can retain details while achieving noise suppression. Second, in the candidate area extraction, a sea-land segmentation method based on gradient enhancement is presented. The integral image method is employed to accelerate computation. Finally, in the ship target identification step, a feature extraction strategy based on Haar-like gradient information and a Radon transform is proposed. This strategy decreases the number of templates found in traditional Haar-like methods. Experiments were performed using Gaofen-3 single-polarization SAR images, and the results showed that the proposed method has high detection accuracy and rapid computational efficiency. In addition, this method has the potential for on-board processing.

  11. Polarized particles in storage rings

    International Nuclear Information System (INIS)

    Derbenev, Ya.S.; Kondratenko, A.M.; Serednyakov, S.I.; Skrinskij, A.N.; Tumajkin, G.M.; Shatunov, Yu.M.

    1977-01-01

    Experiments with polarized beams on the VEPP-2M and SPEAK storage rings are described. Possible methods of producing polarized particle beams in storage rings as well as method of polarization monitoring are counted. Considered are the processes of radiation polarization of electrons and positrons. It is shown, that to preserve radiation polarization the introduction of regions with a strong sign-variable magnetic field is recommended. Methods of polarization measurement are counted. It is suggested for high energies to use dependence of synchrotron radiation power on transverse polarization of electrons and positrons. Examples of using polarizability of colliding beams in storage rings are presented

  12. Pyrene absorption can be a convenient method for probing critical micellar concentration (cmc) and indexing micellar polarity.

    Science.gov (United States)

    Basu Ray, Gargi; Chakraborty, Indranil; Moulik, Satya P

    2006-02-01

    The critical micellar concentration (cmc) of both ionic and non-ionic surfactants can be conveniently determined from the measurements of UV absorption of pyrene in surfactant solution. The results on a number of surfactants have agreed with that realized from pyrene fluorescence measurements as well as that obtained following conductometric, tensiometric and calorimetric methods. The absorbance vs [surfactant] profiles for all the major UV spectral peaks of pyrene have been found to be sigmoidal in nature which were analyzed according to Sigmoidal-Boltzmann equation (SBE) to evaluate the cmcs of the studied surfactants. The difference between the initial and the final asymptotes (a(i) and a(f), respectively) of the sigmoidal profile, Delta a = (a(f)-a(i)) and the slope of the sigmoid, S(sig) have been observed to depend on the type of the surfactant. The Delta a has shown a linear correlation with the ratio of the fluorescence intensities of the first and the third vibronic peaks, I1/I3 of pyrene which is considered as a measure of the environmental polarity (herein micellar interior) of the probe (pyrene). Thus, Delta a values have the prospect for use as another index for the estimation of polarity of micellar interior.

  13. Novel method for producing hypoallergenic wheat flour by enzymatic fragmentation of the constituent allergens and its application to food processing

    OpenAIRE

    Watanabe, Michiko; Watanabe, Jun; Sonoyama, Kei; Tanabe, Soichi

    2000-01-01

    A novel method is proposed to produce hypoallergenic wheat flour suitable for patients allergic to wheat. Wheat flour was mixed with a cellulase solution, and the mixture was incubated at 50°C for 1 h to hydrolyze the carbohydrate allergens. The hydrolysate was further incubated with actinase at 40°C for 1 h while gently stirring to decompose the proteinaceous allergens. The product was evaluated for its allergenicity by an enzyme-linked immunosorbent assay, the results of which suggested neg...

  14. An optical liquid level sensor based on core-offset fusion splicing method using polarization-maintaining fiber

    Science.gov (United States)

    Lou, Weimin; Chen, Debao; Shen, Changyu; Lu, Yanfang; Liu, Huanan; Wei, Jian

    2016-01-01

    A simple liquid level sensor using a small piece of hydrofluoric acid (HF) etched polarization maintaining fiber (PMF), with SMF-PMF-SMF fiber structure based on Mach- Zehnder interference (MZI) mechanism is proposed. The core-offset fusion splicing method induced cladding modes interfere with the core mode. Moreover, the changing liquid level would influence the optical path difference of the MZI since the effective refractive indices of the air and the liquid is different. Both the variations of the wavelength shifts and power intensity attenuation corresponding to the liquid level can be obtained with a sensitivity of 0.4956nm/mm and 0.2204dB/mm, respectively.

  15. Distribution of conductive minerals as associated with uranium minerals at Dendang Arai sector by induced polarization method

    International Nuclear Information System (INIS)

    Nurdin, M.; Nikijuluw, N.; Subardjo; Sudarto, S.

    2000-01-01

    Based on previous investigation results, a favourable zone of 20-80 meters in wide, 80-240 meters in length and in the direction of East-West to Northwest-Southeast was found. The favourable zone is conductor, associated with sulfide. Induced polarization method has been applied to find vertical and horizontal sulfide distribution. The measurement was conducted in perpendicular to lateral direction of the conductive zone in an interval of 20 meters. Properties measured are apparent resistivity and charge ability. Measurement results indicated the presence of sulfide zone with the position and dip are sub-vertical. Sulfide zones were found on the fault cross-point with the directions being East-West to East South East-West North West by fault is North-South. This anomalies were then represented in 3 (three) dimension tomographic model. (author)

  16. Heavy quark fragmentation functions in the heavy quark effective theory

    International Nuclear Information System (INIS)

    Martynenko, A.P.; Saleev, V.A.

    1996-01-01

    The fragmentation of b-bar-antiquark into polarized B c * -mesons and b-quark into P-wave (c-bar b) states in the Heavy Quark Effective Theory. The heavy quark fragmentation functions in longitudinally and transversely polarized S-wave b-bar c-states and P-wave mesons containing b-, c-quarks also, with the exact account of corrections of first order in 1/m b . 20 refs., 2 figs

  17. The polarization of fast neutrons

    International Nuclear Information System (INIS)

    Talov, V.V.

    2000-01-01

    The present work is the review of polarization of fast neutrons and methods of polarization analysis. This also includes information about polarization of fast neutrons from first papers, which described polarization in the D(d,n) 3 He, 7 Li(p,n) 7 Be, and T(p,n) 3 He reactions. (authors)

  18. Geometric morphometric methods for three-dimensional virtual reconstruction of a fragmented cranium: the case of Angelo Poliziano.

    Science.gov (United States)

    Benazzi, S; Stansfield, E; Milani, C; Gruppioni, G

    2009-07-01

    The process of forensic identification of missing individuals is frequently reliant on the superimposition of cranial remains onto an individual's picture and/or facial reconstruction. In the latter, the integrity of the skull or a cranium is an important factor in successful identification. Here, we recommend the usage of computerized virtual reconstruction and geometric morphometrics for the purposes of individual reconstruction and identification in forensics. We apply these methods to reconstruct a complete cranium from facial remains that allegedly belong to the famous Italian humanist of the fifteenth century, Angelo Poliziano (1454-1494). Raw data was obtained by computed tomography scans of the Poliziano face and a complete reference skull of a 37-year-old Italian male. Given that the amount of distortion of the facial remains is unknown, two reconstructions are proposed: The first calculates the average shape between the original and its reflection, and the second discards the less preserved left side of the cranium under the assumption that there is no deformation on the right. Both reconstructions perform well in the superimposition with the original preserved facial surface in a virtual environment. The reconstruction by means of averaging between the original and reflection yielded better results during the superimposition with portraits of Poliziano. We argue that the combination of computerized virtual reconstruction and geometric morphometric methods offers a number of advantages over traditional plastic reconstruction, among which are speed, reproducibility, easiness of manipulation when superimposing with pictures in virtual environment, and assumptions control.

  19. Design of a 50/50 splitting ratio non-polarizing beam splitter based on the modal method with fused-silica transmission gratings

    Science.gov (United States)

    Zhao, Huajun; Yuan, Dairong; Ming, Hai

    2011-04-01

    The optical design of a beam splitter that has a 50/50 splitting ratio regardless of the polarization is presented. The non-polarizing beam splitter (NPBS) is based on the fused-silica rectangular transmission gratings with high intensity tolerance. The modal method has been used to estimate the effective index of the modes excited in the grating region for TE and TM polarizations. If a phase difference equals an odd multiples of π/2 for the first two modes (i.e. modes 0 and 1), the incident light will be diffracted into the 0 and -1 orders with about 50% and 50% diffraction efficiency for TM and TE polarizations, respectively.

  20. Impact failure and fragmentation properties of metals

    Energy Technology Data Exchange (ETDEWEB)

    Grady, D.E. [Applied Research Associates, Albuquerque, NM (United States); Kipp, M.E. [Sandia National Labs., Albuquerque, NM (United States)

    1998-03-01

    In the present study we describe the development of an experimental fracture material property test method specific to dynamic fragmentation. Spherical test samples of the metals of interest are subjected to controlled impulsive stress loads by acceleration to high velocities with a light-gas launcher facility and subsequent normal impact on thin plates. Motion, deformation and fragmentation of the test samples are diagnosed with multiple flash radiography methods. The impact plate materials are selected to be transparent to the x-ray method so that only test metal material is imaged. Through a systematic series of such tests both strain-to-failure and fragmentation resistance properties are determined through this experimental method. Fragmentation property data for several steels, copper, aluminum, tantalum and titanium have been obtained to date. Aspects of the dynamic data have been analyzed with computational methods to achieve a better understanding of the processes leading to failure and fragmentation, and to test an existing computational fragmentation model.

  1. Paleointensity determinations during the Akaroa polarity reversal, New Zealand: New input from the multispecimen parallel differential pTRM method

    Science.gov (United States)

    Camps, P.; Fanjat, G.; Poidras, T.; Hoffman, K. A.; Carvallo, C.; kennedy, B.

    2011-12-01

    We resampled two polarity reversals of late Miocene age (~ 9 Ma) recorded successively in the Akaroa volcano (Hoffman, 1986, Nature). Our main objective was to check old paleointensity determinations (Sherwood & Shaw, 1986, J. Geomag. Geoelec.) that yielded stronger values during the transitional period than during stable periods that preceded and followed the reversals. This observation is opposite to what is generally observed. An increase in intensity during the reversal would provide an extreme example of increasing secular variation. However, the experimental method used for determining the paleointensity, method of Shaw, is strongly questioned by the scientific community. A check of these data by the conventional Thellier method was required. Unfortunately, among the 72 sampled flows, only 4 yielded rock magnetic properties well suited for Thellier determinations. In most of the flows, the presence of large Multi-Domain grains of Ti-magnetite, which are frequently associated with Ti-maghemite, precludes any Thellier paleointensity determinations. We implement the domain-state independent paleointensity method (the multispecimen parallel differential pTRM, Dekkers & Bohnel, 2006, EPSL; Fabian & Leonhardt, 2010, EPSL) for 16 lava flows in which the MD Ti-magnetite are not oxidized. Thellier paleointensities obtained do not confirm the Sherwood results but show more scattered values of the intensity even during the stable periods of the field. To complete the data, multispecimen mesearements are being to be done.

  2. Validation of attenuation, beam blockage, and calibration estimation methods using two dual polarization X band weather radars

    Science.gov (United States)

    Diederich, M.; Ryzhkov, A.; Simmer, C.; Mühlbauer, K.

    2011-12-01

    The amplitude a of radar wave reflected by meteorological targets can be misjudged due to several factors. At X band wavelength, attenuation of the radar beam by hydro meteors reduces the signal strength enough to be a significant source of error for quantitative precipitation estimation. Depending on the surrounding orography, the radar beam may be partially blocked when scanning at low elevation angles, and the knowledge of the exact amount of signal loss through beam blockage becomes necessary. The phase shift between the radar signals at horizontal and vertical polarizations is affected by the hydrometeors that the beam travels through, but remains unaffected by variations in signal strength. This has allowed for several ways of compensating for the attenuation of the signal, and for consistency checks between these variables. In this study, we make use of several weather radars and gauge network measuring in the same area to examine the effectiveness of several methods of attenuation and beam blockage corrections. The methods include consistency checks of radar reflectivity and specific differential phase, calculation of beam blockage using a topography map, estimating attenuation using differential propagation phase, and the ZPHI method proposed by Testud et al. in 2000. Results show the high effectiveness of differential phase in estimating attenuation, and potential of the ZPHI method to compensate attenuation, beam blockage, and calibration errors.

  3. Quantum molecular dynamics: Numerical methods and physical study of the structure, thermodynamics, stability and fragmentation of sodium metallic clusters; Dynamique moleculaire quantique: Methodes numeriques et etude physique de la structure, de la thermodynamique, de la stabilite et de la fragmentation des agregats metalliques de sodium

    Energy Technology Data Exchange (ETDEWEB)

    Blaise, Philippe [Universite Joseph Fourier, Grenoble 1, 74 Annecy (France)

    1998-09-29

    The aim of this thesis is to study metallic sodium clusters by numerical simulation. We have developed two ab initio molecular dynamics programs within the formalism of density functional theory. The first is based on the semi-classical extended Thomas-Fermi approach. We use a real-space grid and a Car-Parrinello-like scheme. The computational cost is O(N), and we have built a pseudopotential that speeds up the calculations. By neglecting quantum shell effects, we are able to study a very large set of clusters. We show that sodium cluster energies fit well a liquid drop formula, by adjusting a few parameters. We have investigated breathing modes, surface oscillations and the net charge density. We have shown that the surface energy varies strongly with temperature, and that clusters have a lower melting point than bulk material. We have calculated fission barriers by a constraint method. The second program is based on the quantum Kohn-Sham approach. We use a real-space grid, and combine a generalized Broyden scheme for assuring self-consistency with an iterative Davidson-Lanczos algorithm for solving the Eigen-problem. The cost of the method is much higher. First of all, we have calculated some stable structures for small clusters and their energetics. We obtained very good agreement with previous works. Then, we have investigated highly charged cluster dynamics. We have identified a chaotic fission process. For high fissility systems, we observe a multi-fragmentation dynamics and we find preferential emission of monomers on a characteristic time scale less than a pico-second. This has been simulated for the first time, with the help of our adaptive grid method which follows each fragment as they move apart during the fragmentation. (author) 87 refs., 57 figs., 4 tabs.

  4. Development and validation of polar RP-HPLC method for screening for ectoine high-yield strains in marine bacteria with green chemistry.

    Science.gov (United States)

    Chen, Jun; Chen, Jianwei; Wang, Sijia; Zhou, Guangmin; Chen, Danqing; Zhang, Huawei; Wang, Hong

    2018-04-02

    A novel, green, rapid, and precise polar RP-HPLC method has been successfully developed and screened for ectoine high-yield strain in marine bacteria. Ectoine is a polar and extremely useful solute which allows microorganisms to survive in extreme environmental salinity. This paper describes a polar-HPLC method employed polar RP-C18 (5 μm, 250 × 4.6 mm) using pure water as the mobile phase and a column temperature of 30 °C, coupled with a flow rate at 1.0 mL/min and detected under a UV detector at wavelength of 210 nm. Our method validation demonstrates excellent linearity (R 2  = 0.9993), accuracy (100.55%), and a limit of detection LOQ and LOD of 0.372 and 0.123 μgmL -1 , respectively. These results clearly indicate that the developed polar RP-HPLC method for the separation and determination of ectoine is superior to earlier protocols.

  5. When measured spin polarization is not spin polarization

    International Nuclear Information System (INIS)

    Dowben, P A; Wu Ning; Binek, Christian

    2011-01-01

    Spin polarization is an unusually ambiguous scientific idiom and, as such, is rarely well defined. A given experimental methodology may allow one to quantify a spin polarization but only in its particular context. As one might expect, these ambiguities sometimes give rise to inappropriate interpretations when comparing the spin polarizations determined through different methods. The spin polarization of CrO 2 and Cr 2 O 3 illustrate some of the complications which hinders comparisons of spin polarization values. (viewpoint)

  6. A polar-region-adaptable systematic bias collaborative measurement method for shipboard redundant rotational inertial navigation systems

    Science.gov (United States)

    Wang, Lin; Wu, Wenqi; Wei, Guo; Lian, Junxiang; Yu, Ruihang

    2018-05-01

    The shipboard redundant rotational inertial navigation system (RINS) configuration, including a dual-axis RINS and a single-axis RINS, can satisfy the demand of marine INSs of especially high reliability as well as achieving trade-off between position accuracy and cost. Generally, the dual-axis RINS is the master INS, and the single-axis RINS is the hot backup INS for high reliability purposes. An integrity monitoring system performs a fault detection function to ensure sailing safety. However, improving the accuracy of the backup INS in case of master INS failure has not been given enough attention. Without the aid of any external information, a systematic bias collaborative measurement method based on an augmented Kalman filter is proposed for the redundant RINSs. Estimates of inertial sensor biases can be used by the built-in integrity monitoring system to monitor the RINS running condition. On the other hand, a position error prediction model is designed for the single-axis RINS to estimate the systematic error caused by its azimuth gyro bias. After position error compensation, the position information provided by the single-axis RINS still remains highly accurate, even if the integrity monitoring system detects a dual-axis RINS fault. Moreover, use of a grid frame as a navigation frame makes the proposed method applicable in any area, including the polar regions. Semi-physical simulation and experiments including sea trials verify the validity of the method.

  7. Determination of nitrate and nitrite in Hanford defense waste (HDW) by reverse polarity capillary zone electrophoresis (RPCE) method

    International Nuclear Information System (INIS)

    Metcalf, S.G.

    1998-01-01

    This paper describes the first application of reverse polarity capillary zone electrophoresis (RPCE) for rapid and accurate determination of nitrate and nitrite in Hanford Defense Waste (HDW). The method development was carried out by using Synthetic Hanford Waste (SHW), followed by the analysis of 4 real HDW samples. Hexamethonium bromide (HMB) was used as electroosmotic flow modifier in borate buffer at pH 9.2 to decrease the electroosmotic flow (EOF) in order to enhance the speed of analysis and the resolution of nitrate and nitrite in high ionic strength HDW samples. The application of this capillary zone electrophoresis method, when compared with ion chromatography for two major components of HDW, nitrate and nitrite slightly reduced analysis time, eliminated most pre-analysis handling of the highly radioactive sample, and cut analysis wastes by more than 2 orders of magnitude. The analysis of real HDW samples that were validated by using sample spikes showed a concentration range of 1.03 to 1.42 M for both nitrate. The migration times of the real HDW and the spiked HDW samples were within a precision of less than 3% relative standard deviation. The selectivity ratio test used for peak confirmation of the spiked samples was within 96% of the real sample. Method reliability was tested by spiking the matrix with 72.4 mM nitrate and nitrite. Recoveries for these spiked samples were 93-103%

  8. A liquid chromatography-mass spectrometry method based on class characteristic fragmentation pathways to detect the class of indole-derivative synthetic cannabinoids in biological samples.

    Science.gov (United States)

    Mazzarino, Monica; de la Torre, Xavier; Botrè, Francesco

    2014-07-21

    This article describes a liquid chromatographic/tandem mass spectrometric method, based on the use of precursor ion scan as the acquisition mode, specifically developed to detect indole-derived cannabinoids (phenylacetylindoles, naphthoylindoles and benzoylindoles) in biological fluids (saliva, urine and blood). The method is designed to recognize one or more common "structural markers", corresponding to mass spectral fragments originating from the specific portion of the molecular structure that is common to the aminoalkylindole analogues and that is fundamental for their pharmacological classification. As such, the method is also suitable for detecting unknown substances, provided they contain the targeted portion of the molecular structure. The pre-treatment procedure consists in a liquid/liquid extraction step carried out at neutral pH: this is the only pretreatment in the case of analyses carried out in saliva, while it follows an enzymatic hydrolysis procedure in the case of urine samples, or a protein precipitation step in the case of blood samples. The chromatographic separation is achieved using an octadecyl reverse-phase 5 μm fused-core particle column; while the mass spectrometric detection is carried out by a triple-quadrupole instrument in positive electrospray ionization and precursor ion scan as acquisition mode, selecting, as mass spectral fragments, the indole (m/z 144), the carbonylnaphthalenyl (m/z 155) and the naphthalenyl (m/z 127) moieties. Once developed and optimized, the analytical procedure was validated in term of sensitivity (lower limits of detection in the range of 0.1-0.5 ng mL(-1)), specificity (no interference was detected at the retention times of the analytes under investigation), recovery (higher than 65% with a satisfactory repeatability: CV% lower than 10), matrix effect (lower than 30% for all the biological specimens tested), repeatability of the retention times (CV% lower than 0.1), robustness, and carry over (the positive

  9. Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

    Directory of Open Access Journals (Sweden)

    A. C. Vutha

    2018-01-01

    Full Text Available We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the z ^ -direction by an applied electric field, as has recently been demonstrated by Park et al. The trapped molecules are prepared into a state that has its electron spin perpendicular to z ^ , and a magnetic field along z ^ causes precession of this spin. An electron electric dipole moment d e would affect this precession due to the up to 100 GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring d e to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

  10. Oriented Polar Molecules in a Solid Inert-Gas Matrix: A Proposed Method for Measuring the Electric Dipole Moment of the Electron

    Science.gov (United States)

    Vutha, A.; Horbatsch, M.; Hessels, E.

    2018-01-01

    We propose a very sensitive method for measuring the electric dipole moment of the electron using polar molecules embedded in a cryogenic solid matrix of inert-gas atoms. The polar molecules can be oriented in the $\\hat{\\rm{z}}$ direction by an applied electric field, as has recently been demonstrated by Park, et al. [Angewandte Chemie {\\bf 129}, 1066 (2017)]. The trapped molecules are prepared into a state which has its electron spin perpendicular to $\\hat{\\rm{z}}$, and a magnetic field along $\\hat{\\rm{z}}$ causes precession of this spin. An electron electric dipole moment $d_e$ would affect this precession due to the up to 100~GV/cm effective electric field produced by the polar molecule. The large number of polar molecules that can be embedded in a matrix, along with the expected long coherence times for the precession, allows for the possibility of measuring $d_e$ to an accuracy that surpasses current measurements by many orders of magnitude. Because the matrix can inhibit molecular rotations and lock the orientation of the polar molecules, it may not be necessary to have an electric field present during the precession. The proposed technique can be applied using a variety of polar molecules and inert gases, which, along with other experimental variables, should allow for careful study of systematic uncertainties in the measurement.

  11. Hydrogen/deuterium exchange, a unique and effective method for MS fragmentation behavior elucidation of ginkgolides and its application to systematic research in Ginkgo biloba.

    Science.gov (United States)

    Niu, Xingliang; Luo, Jun; Xu, Deran; Zou, Hongyan; Kong, Lingyi

    2017-02-05

    Ginkgolides, the main active constituents of Ginkgo biloba, possess significant selectively inhibition on platelet-activating factor and pancreatic lipase and attract wide attention in pharmacological research area. In our study, an effective hydrogen/deuterium (H/D) exchange method was developed by exchanging the α-Hs of lactone groups in ginkgolides with Ds, which was very useful for the elucidation of the fragmentation patterns of ginkgolides in Quadrupole Time-of-flight Mass Spectrometry (Q-TOF-MS), especially in accurately distinguishing the type and position of substituent in framework of ginkgolides. Then, a systematic research strategy for qualitative and quantitative analysis of ginkgolides, based on H/D exchange, tandem solid-phase extraction and LC-Q-TOF-MS, was developed, which was successfully applied in each medicinal part of G. biloba, which indicated that ginkgolide B was the most abundant ginkgolide in the seeds of G. biloba (60.6μg/g). This research was the successful application of H/D exchange in natural products, and proved that H/D exchange is a potential method for analysis research of complex TCMs active constituents. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Theodolite Polar measurements system and definition of the grid-lines method

    Directory of Open Access Journals (Sweden)

    Andréa de Seixas

    2004-12-01

    Full Text Available The requirements of construction quality, mainly in the car and airplane industries, accelerate the development of new 3D-Measurement Systems and Measurement Processes that make possible the automatic object recording and it’s post-processing on the basis, for example, on deformations. The geometrical reconstruction of objects or surface requires a minimal number of points, which abstracts and will be fulfill through interpolation its exact form and quality of the object in each case. The applications of the laser for the active signalization of a point object in combination with the directional measurement make possible in such way the determination of objects or surfaces, including also, places where the use of artificial targets is dangerous or impossible. This work describes the development of such measurement system based on two measurement robots or a reflector-free measuring tachymeter. The system is capable of reaching the intersections points of a grid-line that is defined in an appropriate coordinate system. The aim of this paper is to present the development of measurement methods that can reconstruct unknown three-dimensional and not signalized objects. The existing deformation-measurement, based on Pointer Theodolite and a Video Theodolite Measurement System and the other reflector-free Tachymeter Measurement System in context with the problematic analysis of deformation will be presented. The grid-lines Methods appear a solution and stand as new alternative for the geometrical reconstruction of the object surfaces. Its definition and preparations in a suitable coordinate system are discussed in detail.

  13. Universal elements of fragmentation

    International Nuclear Information System (INIS)

    Yanovsky, V. V.; Tur, A. V.; Kuklina, O. V.

    2010-01-01

    A fragmentation theory is proposed that explains the universal asymptotic behavior of the fragment-size distribution in the large-size range, based on simple physical principles. The basic principles of the theory are the total mass conservation in a fragmentation process and a balance condition for the energy expended in increasing the surface of fragments during their breakup. A flux-based approach is used that makes it possible to supplement the basic principles and develop a minimal theory of fragmentation. Such a supplementary principle is that of decreasing fragment-volume flux with increasing energy expended in fragmentation. It is shown that the behavior of the decreasing flux is directly related to the form of a power-law fragment-size distribution. The minimal theory is used to find universal asymptotic fragment-size distributions and to develop a natural physical classification of fragmentation models. A more general, nonlinear theory of strong fragmentation is also developed. It is demonstrated that solutions to a nonlinear kinetic equation consistent with both basic principles approach a universal asymptotic size distribution. Agreement between the predicted asymptotic fragment-size distributions and experimental observations is discussed.

  14. A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model. Application to calculations of U and Pu charge yields

    Energy Technology Data Exchange (ETDEWEB)

    Moeller, Peter [Los Alamos National Laboratory, Theoretical Division, Los Alamos, NM (United States); Ichikawa, Takatoshi [Kyoto University, Yukawa Institute for Theoretical Physics, Kyoto (Japan)

    2015-12-15

    We propose a method to calculate the two-dimensional (2D) fission-fragment yield Y(Z,N) versus both proton and neutron number, with inclusion of odd-even staggering effects in both variables. The approach is to use the Brownian shape-motion on a macroscopic-microscopic potential-energy surface which, for a particular compound system is calculated versus four shape variables: elongation (quadrupole moment Q{sub 2}), neck d, left nascent fragment spheroidal deformation ε{sub f1}, right nascent fragment deformation ε{sub f2} and two asymmetry variables, namely proton and neutron numbers in each of the two fragments. The extension of previous models 1) introduces a method to calculate this generalized potential-energy function and 2) allows the correlated transfer of nucleon pairs in one step, in addition to sequential transfer. In the previous version the potential energy was calculated as a function of Z and N of the compound system and its shape, including the asymmetry of the shape. We outline here how to generalize the model from the ''compound-system'' model to a model where the emerging fragment proton and neutron numbers also enter, over and above the compound system composition. (orig.)

  15. Ejectile polarization and nuclear orbitals

    International Nuclear Information System (INIS)

    Ohnishi, A.; Maruyama, T.; Horiuchi, H.

    1992-01-01

    Ejectile polarization phenomena are studied by the use of 'Quantum Molecular Dynamics plus external mean field' model. It is shown that the far-side contribution increases as the incident energy increases or the target charge decreases. The incident energy and the target dependence of ejectile polarization data is reproduced qualitatively. The near- and far-side contributions themselves are calculated to be almost monotone functions of ejectile momentum as is predicted in a simple projectile fragmentation scheme without the assumption that the linear and angular momentum transfers are negligible, and their statistical average results in various shapes in ejectile polarization

  16. An on-line normal-phase high performance liquid chromatography method for the rapid detection of radical scavengers in non-polar food matrixes

    NARCIS (Netherlands)

    Zhang, Q.; Klift, van der E.J.C.; Janssen, H.G.; Beek, van T.A.

    2009-01-01

    An on-line method for the rapid pinpointing of radical scavengers in non-polar mixtures like vegetable oils was developed. To avoid problems with dissolving the sample, normal-phase chromatography on bare silica gel was used with mixtures of hexane and methyl tert-butyl ether as the eluent. The high

  17. Chiroptical methods in a wide wavelength range for obtaining Ln3+ complexes with circularly polarized luminescence of practical interest.

    Science.gov (United States)

    Górecki, Marcin; Carpita, Luca; Arrico, Lorenzo; Zinna, Francesco; Di Bari, Lorenzo

    2018-05-29

    We studied enantiopure chiral trivalent lanthanide (Ln3+ = La3+, Sm3+, Eu3+, Gd3+, Tm3+, and Yb3+) complexes with two fluorinated achiral tris(β-diketonate) ligands (HFA = hexafluoroacetylacetonate and TTA = 2-thenoyltrifluoroacetonate), incorporating a chiral bis(oxazolinyl)pyridine (PyBox) unit as a neutral ancillary ligand, by the combined use of optical and chiroptical methods, ranging from UV to IR both in absorption and circular dichroism (CD), and including circularly polarized luminescence (CPL). Ultimately, all the spectroscopic information is integrated into a total and a chiroptical super-spectrum, which allows one to characterize a multidimensional chemical space, spanned by the different Ln3+ ions, the acidity and steric demand of the diketone and the chirality of the PyBox ligand. In all cases, the Ln3+ ions endow the systems with peculiar chiroptical properties, either allied to f-f transitions or induced by the metal onto the ligand. In more detail, we found that Sm3+ complexes display interesting CPL features, which partly superimpose and partly integrate the more common Eu3+ properties. Especially, in the context of security tags, the pair Sm/Eu may be a winning choice for chiroptical barcoding.

  18. Source of spin polarized electrons

    International Nuclear Information System (INIS)

    Pierce, D.T.; Meier, F.A.; Siegmann, H.C.

    1976-01-01

    A method is described of producing intense beams of polarized free electrons in which a semiconductor with a spin orbit split valence band and negative electron affinity is used as a photocathode and irradiated with circularly polarized light

  19. Determination of antimicrobial resistance of Enterococcus strains isolated from pigs and their genotypic characterization by method of amplification of DNA fragments surrounding rare restriction sites (ADSRRS fingerprinting).

    Science.gov (United States)

    Nowakiewicz, Aneta; Ziółkowska, Grażyna; Trościańczyk, Aleksandra; Zięba, Przemysław; Gnat, Sebastian

    2017-03-01

    In this study, we analysed phenotypic resistance profiles and their reflection in the genomic profiles of Enterococcus spp. strains isolated from pigs raised on different farms. Samples were collected from five pig farms (n=90 animals) and tested for Enterococcus. MICs of 12 antimicrobials were determined using the broth microdilution method, and epidemiological molecular analysis of strains belonging to selected species (faecalis, faecium and hirae) was performed using the ADSRRS-fingerprinting (amplification of DNA fragments surrounding rare restriction sites) method with a few modifications. The highest percentage of strains was resistant to tetracycline (73.4 %), erythromycin and tylosin (42.5 %) and rifampin (25.2 %), and a large number of strains exhibited high-level resistance to both kanamycin (25.2 %) and streptomycin (27.6 %). The strains of E. faecalis, E. faecium and E. hirae (n=184) revealed varied phenotypic resistance profiles, among which as many as seven met the criteria for multidrug resistance (30.4 % of strains tested). ADSRRS-fingerprinting analysis produced 17 genotypic profiles of individual strains which were correlated with their phenotypic resistance profiles. Only E. hirae strains susceptible to all of the chemotherapeutics tested had two different ADSRRS profiles. Moreover, eight animals were carriers of more than one genotype belonging to the same Enterococcus spp., mainly E. faecalis. Given the possibility of transmission to humans of the high-resistance/multidrug resistance enterococci and the significant role of pigs as food animals in this process, it is necessary to introduce a multilevel control strategy by carrying out research on the resistance and molecular characteristics of indicator bacterial strains isolated from animals on individual farms.

  20. Universality of fragment shapes.

    Science.gov (United States)

    Domokos, Gábor; Kun, Ferenc; Sipos, András Árpád; Szabó, Tímea

    2015-03-16

    The shape of fragments generated by the breakup of solids is central to a wide variety of problems ranging from the geomorphic evolution of boulders to the accumulation of space debris orbiting Earth. Although the statistics of the mass of fragments has been found to show a universal scaling behavior, the comprehensive characterization of fragment shapes still remained a fundamental challenge. We performed a thorough experimental study of the problem fragmenting various types of materials by slowly proceeding weathering and by rapid breakup due to explosion and hammering. We demonstrate that the shape of fragments obeys an astonishing universality having the same generic evolution with the fragment size irrespective of materials details and loading conditions. There exists a cutoff size below which fragments have an isotropic shape, however, as the size increases an exponential convergence is obtained to a unique elongated form. We show that a discrete stochastic model of fragmentation reproduces both the size and shape of fragments tuning only a single parameter which strengthens the general validity of the scaling laws. The dependence of the probability of the crack plan orientation on the linear extension of fragments proved to be essential for the shape selection mechanism.

  1. Research of nuclear fragmentation characteristics

    International Nuclear Information System (INIS)

    Richert, J.

    1989-01-01

    Motivations for the study of nuclear fragmentation are presented. Different models and methods which were developed in the past are reviewed, critically discussed and confronted in connection with the experimental information gathered over the past years. Specific aspects related to the onset of the process, its characteristics and the mechanism which governs it are discussed [fr

  2. Knowledge-based Fragment Binding Prediction

    Science.gov (United States)

    Tang, Grace W.; Altman, Russ B.

    2014-01-01

    Target-based drug discovery must assess many drug-like compounds for potential activity. Focusing on low-molecular-weight compounds (fragments) can dramatically reduce the chemical search space. However, approaches for determining protein-fragment interactions have limitations. Experimental assays are time-consuming, expensive, and not always applicable. At the same time, computational approaches using physics-based methods have limited accuracy. With increasing high-resolution structural data for protein-ligand complexes, there is now an opportunity for data-driven approaches to fragment binding prediction. We present FragFEATURE, a machine learning approach to predict small molecule fragments preferred by a target protein structure. We first create a knowledge base of protein structural environments annotated with the small molecule substructures they bind. These substructures have low-molecular weight and serve as a proxy for fragments. FragFEATURE then compares the structural environments within a target protein to those in the knowledge base to retrieve statistically preferred fragments. It merges information across diverse ligands with shared substructures to generate predictions. Our results demonstrate FragFEATURE's ability to rediscover fragments corresponding to the ligand bound with 74% precision and 82% recall on average. For many protein targets, it identifies high scoring fragments that are substructures of known inhibitors. FragFEATURE thus predicts fragments that can serve as inputs to fragment-based drug design or serve as refinement criteria for creating target-specific compound libraries for experimental or computational screening. PMID:24762971

  3. Exact Solutions of Fragmentation Equations with General Fragmentation Rates and Separable Particles Distribution Kernels

    Directory of Open Access Journals (Sweden)

    S. C. Oukouomi Noutchie

    2014-01-01

    Full Text Available We make use of Laplace transform techniques and the method of characteristics to solve fragmentation equations explicitly. Our result is a breakthrough in the analysis of pure fragmentation equations as this is the first instance where an exact solution is provided for the fragmentation evolution equation with general fragmentation rates. This paper is the key for resolving most of the open problems in fragmentation theory including “shattering” and the sudden appearance of infinitely many particles in some systems with initial finite particles number.

  4. Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

    Science.gov (United States)

    Wang, Bo; Truhlar, Donald G

    2013-02-12

    Tuned and balanced redistributed charge schemes have been developed for modeling the electrostatic fields of bonds that are cut by a quantum mechanical-molecular mechanical boundary in combined quantum mechanical and molecular mechanical (QM/MM) methods. First, the charge is balanced by adjusting the charge on the MM boundary atom to conserve the total charge of the entire QM/MM system. In the balanced smeared redistributed charge (BSRC) scheme, the adjusted MM boundary charge is smeared with a smearing width of 1.0 Å and is distributed in equal portions to the midpoints of the bonds between the MM boundary atom and the MM atoms bonded to it; in the balanced redistributed charge-2 (BRC2) scheme, the adjusted MM boundary charge is distributed as point charges in equal portions to the MM atoms that are bonded to the MM boundary atom. The QM subsystem is capped by a fluorine atom that is tuned to reproduce the sum of partial atomic charges of the uncapped portion of the QM subsystem. The new aspect of the present study is a new way to carry out the tuning process; in particular, the CM5 charge model, rather than the Mulliken population analysis applied in previous studies, is used for tuning the capping atom that terminates the dangling bond of the QM region. The mean unsigned error (MUE) of the QM/MM deprotonation energy for a 15-system test suite of deprotonation reactions is 2.3 kcal/mol for the tuned BSRC scheme (TBSRC) and 2.4 kcal/mol for the tuned BRC2 scheme (TBRC2). As was the case for the original tuning method based on Mulliken charges, the new tuning method performs much better than using conventional hydrogen link atoms, which have an MUE on this test set of about 7 kcal/mol. However, the new scheme eliminates the need to use small basis sets, which can be problematic, and it allows one to be more consistent by tuning the parameters with whatever basis set is appropriate for applications. (Alternatively, since the tuning parameters and partial charges

  5. Anomalous nuclear fragments

    International Nuclear Information System (INIS)

    Karmanov, V.A.

    1983-01-01

    Experimental data are given, the status of anomalon problem is discussed, theoretical approaches to this problem are outlined. Anomalons are exotic objects formed following fragmentation of nuclei-targets under the effect of nuclei - a beam at the energy of several GeV/nucleon. These nuclear fragments have an anomalously large cross section of interaction and respectively, small free path, considerably shorter than primary nuclei have. The experimental daa are obtained in accelerators following irradiation of nuclear emulsions by 16 O, 56 Fe, 40 Ar beams, as well as propane by 12 C beams. The experimental data testify to dependence of fragment free path on the distance L from the point of the fragment formation. A decrease in the fragment free path is established more reliably than its dependence on L. The problem of the anomalon existence cannot be yet considered resolved. Theoretical models suggested for explanation of anomalously large cross sections of nuclear fragment interaction are variable and rather speculative

  6. Fragment-based approaches to TB drugs.

    Science.gov (United States)

    Marchetti, Chiara; Chan, Daniel S H; Coyne, Anthony G; Abell, Chris

    2018-02-01

    Tuberculosis is an infectious disease associated with significant mortality and morbidity worldwide, particularly in developing countries. The rise of antibiotic resistance in Mycobacterium tuberculosis (Mtb) urgently demands the development of new drug leads to tackle resistant strains. Fragment-based methods have recently emerged at the forefront of pharmaceutical development as a means to generate more effective lead structures, via the identification of fragment molecules that form weak but high quality interactions with the target biomolecule and subsequent fragment optimization. This review highlights a number of novel inhibitors of Mtb targets that have been developed through fragment-based approaches in recent years.

  7. Pion content of the nucleon in polarized semi-inclusive DIS

    Energy Technology Data Exchange (ETDEWEB)

    Melnitchouk, W. [Univ. of Regensburg (Germany); Thomas, A.W. [Univ. of Adelaide (Australia)

    1994-04-01

    An explicit pionic component of the nucleon may be identified by measuring polarized {Delta}{sup ++} fragments produced in deep-inelastic scattering (DIS) off polarized protons. The pion-exchange model predicts highly correlated polarizations of the {Delta}{sup ++} and target proton, in marked contrast with the competing diquark fragmentation process.

  8. Polarized BRDF measurement of steel E235B in the near-infrared region: Based on a self-designed instrument with absolute measuring method

    Science.gov (United States)

    Liu, Yanlei; Yu, Kun; Liu, Zilong; Zhao, Yuejin; Liu, Yufang

    2018-06-01

    The spectral bidirectional reflectance distribution (BRDF) offers a complete description of the optical properties of the opaque material. Numerous studies on BRDF have been conducted for its important role in scientific research and industrial production. However, most of these studies focus on the visible region and unpolarized BRDF, and the spectral polarized BRDF in the near-infrared region is rarely reported. In this letter, we propose an absolute method to measure the spectral BRDF in the near-infrared region, and the detailed derivation is presented. A self-designed instrument is set up for the absolute measurement of BRDF. The reliability of this method is verified by comparing the experimental data of the three metal (aluminum, silver and gold) mirrors with the reference data. The in-plane polarized BRDF of steel E235B are measured, and the influence of incident angle and roughness on the BRDF are discussed. The degree of linear polarization (DOLP) are determined based on the polarized BRDF. The results indicate that both the roughness and incident angle have distinct influence on the BRDF and DOLP.

  9. A rapid and sensitive method for the simultaneous analysis of aliphatic and polar molecules containing free carboxyl groups in plant extracts by LC-MS/MS

    Directory of Open Access Journals (Sweden)

    Bonaventure Gustavo

    2009-11-01

    Full Text Available Abstract Background Aliphatic molecules containing free carboxyl groups are important intermediates in many metabolic and signalling reactions, however, they accumulate to low levels in tissues and are not efficiently ionized by electrospray ionization (ESI compared to more polar substances. Quantification of aliphatic molecules becomes therefore difficult when small amounts of tissue are available for analysis. Traditional methods for analysis of these molecules require purification or enrichment steps, which are onerous when multiple samples need to be analyzed. In contrast to aliphatic molecules, more polar substances containing free carboxyl groups such as some phytohormones are efficiently ionized by ESI and suitable for analysis by LC-MS/MS. Thus, the development of a method with which aliphatic and polar molecules -which their unmodified forms differ dramatically in their efficiencies of ionization by ESI- can be simultaneously detected with similar sensitivities would substantially simplify the analysis of complex biological matrices. Results A simple, rapid, specific and sensitive method for the simultaneous detection and quantification of free aliphatic molecules (e.g., free fatty acids (FFA and small polar molecules (e.g., jasmonic acid (JA, salicylic acid (SA containing free carboxyl groups by direct derivatization of leaf extracts with Picolinyl reagent followed by LC-MS/MS analysis is presented. The presence of the N atom in the esterified pyridine moiety allowed the efficient ionization of 25 compounds tested irrespective of their chemical structure. The method was validated by comparing the results obtained after analysis of Nicotiana attenuata leaf material with previously described analytical methods. Conclusion The method presented was used to detect 16 compounds in leaf extracts of N. attenuata plants. Importantly, the method can be adapted based on the specific analytes of interest with the only consideration that the

  10. Simple and efficient method of spin-polarizing a metastable helium beam by diode laser optical pumping

    International Nuclear Information System (INIS)

    Granitza, B.; Salvietti, M.; Torello, E.; Mattera, L.; Sasso, A.

    1995-01-01

    Diode laser optical pumping to produce a highly spin-polarized metastable He beam to be used in a spin-polarized metastable atom deexcitation spectroscopy experiment on magnetized surfaces is described. Efficient pumping of the beam is performed by means of an SDL-6702 distributed Bragg reflector diode laser which yields 50 mW of output power in a single longitudinal mode at 1083 nm, the resonance wavelength for the 2 3 S→2 3 P 0,1,2 (D 0 , D 1 , and D 2 ) transitions of He*. The light is circularly polarized by a quarter-wave plate, allowing easy change of the sense of atomic polarization. The laser frequency can be locked to the atomic transition for several hours by phase-sensitive detection of the saturated absorption signal in a He discharge cell. Any of the three transitions of the triplet system can be pumped with the laser but the maximum level of atomic polarization of 98.5% is found pumping the D 2 line. copyright 1995 American Institute of Physics

  11. On the use of polar coordinate system in the projective graphic drawings

    Directory of Open Access Journals (Sweden)

    Ivashchenko Andrey Viktorovich

    2016-11-01

    Full Text Available Projective graphics is a polyhedra simulation method, which is based on the use of trace diagrams of initial polyhedron. Previously developed computer software allows using Cartesian coordinates. In some cases it is advisable to use polar coordinate system for description of projective graphics drawings. Using the example of icosahedron the authors analyzed the advantages of using projective graphics drawings in the polar coordinate system. The transition to the polar coordinate system is a tool that allows using certain patterns of projective graphics drawings in the process of calculation. When using polar coordinate system the search of Polar correspondence for the directs is simplified. In order to analyze the two lines in the polar coordinate system it is enough to compare the corresponding coefficients of the equations of these lines. The authors consider a diagram of the icosahedron in polar coordinates, and a corresponding fragment of calculation program in the Mathematica system. Some examples of forming based on icosahedrons are offered. Optimization of computer programs using polar coordinate system will simplifies the calculations of projective graphics drawings, accelerates the process of constructing three-dimensional models, which expand the possibilities of selecting original solutions. Finally, the authors conclude that it is appropriate to use the polar coordinate system only in the construction of projective graphics diagrams of the planes system having rich symmetry. All Platonic and Archimedean solids, Catalan solid possess this property.

  12. Fission fragment angular momentum

    International Nuclear Information System (INIS)

    Frenne, D. De

    1991-01-01

    Most of the energy released in fission is converted into translational kinetic energy of the fragments. The remaining excitation energy will be distributed among neutrons and gammas. An important parameter characterizing the scission configuration is the primary angular momentum of the nascent fragments. Neutron emission is not expected to decrease the spin of the fragments by more than one unit of angular momentum and is as such of less importance in the determination of the initial fragment spins. Gamma emission is a suitable tool in studying initial fragment spins because the emission time, number, energy, and multipolarity of the gammas strongly depend on the value of the primary angular momentum. The main conclusions of experiments on gamma emission were that the initial angular momentum of the fragments is large compared to the ground state spin and oriented perpendicular to the fission axis. Most of the recent information concerning initial fragment spin distributions comes from the measurement of isomeric ratios for isomeric pairs produced in fission. Although in nearly every mass chain isomers are known, only a small number are suitable for initial fission fragment spin studies. Yield and half-life considerations strongly limit the number of candidates. This has the advantage that the behavior of a specific isomeric pair can be investigated for a number of fissioning systems at different excitation energies of the fragments and fissioning nuclei. Because most of the recent information on primary angular momenta comes from measurements of isomeric ratios, the global deexcitation process of the fragments and the calculation of the initial fragment spin distribution from measured isomeric ratios are discussed here. The most important results on primary angular momentum determinations are reviewed and some theoretical approaches are given. 45 refs., 7 figs., 2 tabs

  13. Polarization developments

    International Nuclear Information System (INIS)

    Prescott, C.Y.

    1993-07-01

    Recent developments in laser-driven photoemission sources of polarized electrons have made prospects for highly polarized electron beams in a future linear collider very promising. This talk discusses the experiences with the SLC polarized electron source, the recent progress with research into gallium arsenide and strained gallium arsenide as a photocathode material, and the suitability of these cathode materials for a future linear collider based on the parameters of the several linear collider designs that exist

  14. Metabolomic method: UPLC-q-ToF polar and non-polar metabolites in the healthy rat cerebellum using an in-vial dual extraction.

    Directory of Open Access Journals (Sweden)

    Amera A Ebshiana

    Full Text Available Unbiased metabolomic analysis of biological samples is a powerful and increasingly commonly utilised tool, especially for the analysis of bio-fluids to identify candidate biomarkers. To date however only a small number of metabolomic studies have been applied to studying the metabolite composition of tissue samples, this is due, in part to a number of technical challenges including scarcity of material and difficulty in extracting metabolites. The aim of this study was to develop a method for maximising the biological information obtained from small tissue samples by optimising sample preparation, LC-MS analysis and metabolite identification. Here we describe an in-vial dual extraction (IVDE method, with reversed phase and hydrophilic liquid interaction chromatography (HILIC which reproducibly measured over 4,000 metabolite features from as little as 3mg of brain tissue. The aqueous phase was analysed in positive and negative modes following HILIC separation in which 2,838 metabolite features were consistently measured including amino acids, sugars and purine bases. The non-aqueous phase was also analysed in positive and negative modes following reversed phase separation gradients respectively from which 1,183 metabolite features were consistently measured representing metabolites such as phosphatidylcholines, sphingolipids and triacylglycerides. The described metabolomics method includes a database for 200 metabolites, retention time, mass and relative intensity, and presents the basal metabolite composition for brain tissue in the healthy rat cerebellum.

  15. PEPSI: a Monte Carlo generator for polarized leptoproduction

    International Nuclear Information System (INIS)

    Mankiewicz, L.

    1992-01-01

    We describe PEPSI (Polarized Electron Proton Scattering Interactions) a Monte Carlo program for the polarized deep inelastic leptoproduction mediated by electromagnetic interaction. The code is a modification of the LEPTO 4.3 Lund Monte Carlo for unpolarized scattering and requires the standard polarization-independent JETSET routines to perform fragmentation into final hadrons. (orig.)

  16. Fragmentation measurement using image processing

    Directory of Open Access Journals (Sweden)

    Farhang Sereshki

    2016-12-01

    Full Text Available In this research, first of all, the existing problems in fragmentation measurement are reviewed for the sake of its fast and reliable evaluation. Then, the available methods used for evaluation of blast results are mentioned. The produced errors especially in recognizing the rock fragments in computer-aided methods, and also, the importance of determination of their sizes in the image analysis methods are described. After reviewing the previous work done, an algorithm is proposed for the automated determination of rock particles’ boundary in the Matlab software. This method can determinate automatically the particles boundary in the minimum time. The results of proposed method are compared with those of Split Desktop and GoldSize software in two automated and manual states. Comparing the curves extracted from different methods reveals that the proposed approach is accurately applicable in measuring the size distribution of laboratory samples, while the manual determination of boundaries in the conventional software is very time-consuming, and the results of automated netting of fragments are very different with the real value due to the error in separation of the objects.

  17. Characterization of textural and hydric heterogeneities in argillaceous geo-materials using induced polarization method: application to the excavation damaged zone (EDZ) of the Tournemire experimental station

    International Nuclear Information System (INIS)

    Okay, Gonca

    2011-01-01

    This Ph-D thesis investigates the potential of clay rocks for deep geological disposal of radioactive waste. Underground excavations are responsible in their vicinity a region, where the clay-rock is damaged or disturbed. This region must to be characterized to ensure the safety of repositories. The extension of the excavation damaged zone (EDZ) and its evolution over time have been investigated thought electrical resistivity and induced polarization methods from three galleries belonging to the French Institute of Radioprotection and Nuclear Safety (IRSN)'s experimental underground research laboratory of Tournemire (Aveyron, France). Time domain induced polarisation indicates the presence of mineralization (e.g., especially pyrite) located in the structural discontinuities such as tectonic fractures (mm-cm), tectonic fault (m) and calcareous nodules (cm). Combined electrical resistivity and Induced Polarization methods show the possibility to delineate textural changes associated to desaturation of the clay-rock induced by the ventilation of galleries. The impact of the desaturation is particularly observed on the gallery's walls. In addition, Spectral Induced Polarization (SIP) tomography results can be used to discriminate the responses of the de-saturated zones from the fractured zones. We have performed laboratory experiments (in the range 1.4 mHz - 12 kHz) using saturated unconsolidated sand-clay mixtures. The results illustrate that the amplitude of polarization is strongly affected by the surface properties of these mixtures (e.g., cation exchange capacity, specific surface area) and by the volumetric clay content. However, the amplitude of polarization is independent of the concentration of electrolyte. The SIP response is also strongly sensitive to the mineralogy of the clays. (author)

  18. Parallel Polarization State Generation.

    Science.gov (United States)

    She, Alan; Capasso, Federico

    2016-05-17

    The control of polarization, an essential property of light, is of wide scientific and technological interest. The general problem of generating arbitrary time-varying states of polarization (SOP) has always been mathematically formulated by a series of linear transformations, i.e. a product of matrices, imposing a serial architecture. Here we show a parallel architecture described by a sum of matrices. The theory is experimentally demonstrated by modulating spatially-separated polarization components of a laser using a digital micromirror device that are subsequently beam combined. This method greatly expands the parameter space for engineering devices that control polarization. Consequently, performance characteristics, such as speed, stability, and spectral range, are entirely dictated by the technologies of optical intensity modulation, including absorption, reflection, emission, and scattering. This opens up important prospects for polarization state generation (PSG) with unique performance characteristics with applications in spectroscopic ellipsometry, spectropolarimetry, communications, imaging, and security.

  19. Pulsed Polarization-Based NOx Sensors of YSZ Films Produced by the Aerosol Deposition Method and by Screen-Printing.

    Science.gov (United States)

    Exner, Jörg; Albrecht, Gaby; Schönauer-Kamin, Daniela; Kita, Jaroslaw; Moos, Ralf

    2017-07-26

    The pulsed polarization technique on solid electrolytes is based on alternating potential pulses interrupted by self-discharge pauses. Since even small concentrations of nitrogen oxides (NO x ) in the ppm range significantly change the polarization and discharge behavior, pulsed polarization sensors are well suited to measure low amounts of NO x . In contrast to all previous investigations, planar pulsed polarization sensors were built using an electrolyte thick film and platinum interdigital electrodes on alumina substrates. Two different sensor layouts were investigated, the first with buried Pt electrodes under the electrolyte and the second one with conventional overlying Pt electrodes. Electrolyte thick films were either formed by aerosol deposition or by screen-printing, therefore exhibiting a dense or porous microstructure, respectively. For screen-printed electrolytes, the influence of the electrolyte resistance on the NO x sensing ability was investigated as well. Sensors with buried electrodes showed little to no response even at higher NO x concentrations, in good agreement with the intended sensor mechanism. Electrolyte films with overlying electrodes, however, allowed the quantitative detection of NO x . In particular, aerosol deposited electrolytes exhibited high sensitivities with a sensor output signal Δ U of 50 mV and 75 mV for 3 ppm of NO and NO₂, respectively. For screen-printed electrolytes, a clear trend indicated a decrease in sensitivity with increased electrolyte resistance.

  20. Neutron polarization

    International Nuclear Information System (INIS)

    Firk, F.W.K.

    1976-01-01

    Some recent experiments involving polarized neutrons are discussed; they demonstrate how polarization studies provide information on fundamental aspects of nuclear structure that cannot be obtained from more traditional neutron studies. Until recently, neutron polarization studies tended to be limited either to very low energies or to restricted regions at higher energies, determined by the kinematics of favorable (p, vector n) and (d, vector n) reactions. With the advent of high intensity pulsed electron and proton accelerators and of beams of vector polarized deuterons, this is no longer the case. One has entered an era in which neutron polarization experiments are now being carried out, in a routine way, throughout the entire range from thermal energies to tens-of-MeV. The significance of neutron polarization studies is illustrated in discussions of a wide variety of experiments that include the measurement of T-invariance in the β-decay of polarized neutrons, a search for the effects of meson exchange currents in the photo-disintegration of the deuteron, the determination of quantum numbers of states in the fission of aligned 235 U and 237 Np induced by polarized neutrons, and the double- and triple-scattering of fast neutrons by light nuclei

  1. Polarization holography

    DEFF Research Database (Denmark)

    Nikolova, L.; Ramanujam, P.S.

    Current research into holography is concerned with applications in optically storing, retrieving, and processing information. Polarization holography has many unique properties compared to conventional holography. It gives results in high efficiency, achromaticity, and special polarization...... properties. This books reviews the research carried out in this field over the last 15 years. The authors provide basic concepts in polarization and the propagation of light through anisotropic materials, before presenting a sound theoretical basis for polarization holography. The fabrication...... and characterization of azobenzene based materials, which remain the most efficient for the purpose, is described in detail. This is followed by a description of other materials that are used in polarization holography. An in-depth description of various applications, including display holography and optical storage...

  2. String fragmentation; La fragmentation des cordes

    Energy Technology Data Exchange (ETDEWEB)

    Drescher, H.J.; Werner, K. [Laboratoire de Physique Subatomique et des Technologies Associees - SUBATECH, Centre National de la Recherche Scientifique, 44 - Nantes (France)

    1997-10-01

    The classical string model is used in VENUS as a fragmentation model. For the soft domain simple 2-parton strings were sufficient, whereas for higher energies up to LHC, the perturbative regime of the QCD gives additional soft gluons, which are mapped on the string as so called kinks, energy singularities between the leading partons. The kinky string model is chosen to handle fragmentation of these strings by application of the Lorentz invariant area law. The `kinky strings` model, corresponding to the perturbative gluons coming from pQCD, takes into consideration this effect by treating the partons and gluons on the same footing. The decay law is always the Artru-Menessier area law which is the most realistic since it is invariant to the Lorentz and gauge transformations. For low mass strings a manipulation of the rupture point is necessary if the string corresponds already to an elementary particle determined by the mass and the flavor content. By means of the fragmentation model it will be possible to simulate the data from future experiments at LHC and RHIC 3 refs.

  3. Dimensional crossover in fragmentation

    Science.gov (United States)

    Sotolongo-Costa, Oscar; Rodriguez, Arezky H.; Rodgers, G. J.

    2000-11-01

    Experiments in which thick clay plates and glass rods are fractured have revealed different behavior of fragment mass distribution function in the small and large fragment regions. In this paper we explain this behavior using non-extensive Tsallis statistics and show how the crossover between the two regions is caused by the change in the fragments’ dimensionality during the fracture process. We obtain a physical criterion for the position of this crossover and an expression for the change in the power-law exponent between the small and large fragment regions. These predictions are in good agreement with the experiments on thick clay plates.

  4. A new method based on low background instrumental neutron activation analysis for major, trace and ultra-trace element determination in atmospheric mineral dust from polar ice cores

    Energy Technology Data Exchange (ETDEWEB)

    Baccolo, Giovanni, E-mail: giovanni.baccolo@mib.infn.it [Graduate School in Polar Sciences, University of Siena, Via Laterina 8, 53100, Siena (Italy); Department of Environmental Sciences, University of Milano-Bicocca, P.zza della Scienza 1, 20126, Milano (Italy); INFN, Section of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy); Clemenza, Massimiliano [INFN, Section of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy); Department of Physics, University of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy); Delmonte, Barbara [Department of Environmental Sciences, University of Milano-Bicocca, P.zza della Scienza 1, 20126, Milano (Italy); Maffezzoli, Niccolò [Centre for Ice and Climate, Niels Bohr Institute, Juliane Maries Vej, 30, 2100, Copenhagen (Denmark); Nastasi, Massimiliano; Previtali, Ezio [INFN, Section of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy); Department of Physics, University of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy); Prata, Michele; Salvini, Andrea [LENA, University of Pavia, Pavia (Italy); Maggi, Valter [Department of Environmental Sciences, University of Milano-Bicocca, P.zza della Scienza 1, 20126, Milano (Italy); INFN, Section of Milano-Bicocca, P.zza della Scienza 3, 20126, Milano (Italy)

    2016-05-30

    Dust found in polar ice core samples present extremely low concentrations, in addition the availability of such samples is usually strictly limited. For these reasons the chemical and physical analysis of polar ice cores is an analytical challenge. In this work a new method based on low background instrumental neutron activation analysis (LB-INAA) for the multi-elemental characterization of the insoluble fraction of dust from polar ice cores is presented. Thanks to an accurate selection of the most proper materials and procedures it was possible to reach unprecedented analytical performances, suitable for ice core analyses. The method was applied to Antarctic ice core samples. Five samples of atmospheric dust (μg size) from ice sections of the Antarctic Talos Dome ice core were prepared and analyzed. A set of 37 elements was quantified, spanning from all the major elements (Na, Mg, Al, Si, K, Ca, Ti, Mn and Fe) to trace ones, including 10 (La, Ce, Nd, Sm, Eu, Tb, Ho, Tm, Yb and Lu) of the 14 natural occurring lanthanides. The detection limits are in the range of 10{sup −13}–10{sup −6} g, improving previous results of 1–3 orders of magnitude depending on the element; uncertainties lies between 4% and 60%. - Highlights: • A new method based on neutron activation for the multi-elemental characterization of atmospheric dust entrapped in polar ice cores is proposed. • 37 elements were quantified in μg size dust samples with detection limits ranging from 10{sup −13} to 10{sup −6} g. • A low background approach and a clean analytical protocol improved INAA performances to unprecedented levels for multi-elemental analyses.

  5. Embedded Fragments Registry (EFR)

    Data.gov (United States)

    Department of Veterans Affairs — In 2009, the Department of Defense estimated that approximately 40,000 service members who served in OEF/OIF may have embedded fragment wounds as the result of small...

  6. Fragmentation Main Model

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — The fragmentation model combines patch size and patch continuity with diversity of vegetation types per patch and rarity of vegetation types per patch. A patch was...

  7. Stone fragmentation by ultrasound

    Indian Academy of Sciences (India)

    Unknown

    In the present work, enhancement of the kidney stone fragmentation by using ultrasound is studied. The cavi- ... ment system like radiation pressure balance, the power is given by ... Thus the bubble size has direct relationship with its life and.

  8. Fragment capture device

    Science.gov (United States)

    Payne, Lloyd R.; Cole, David L.

    2010-03-30

    A fragment capture device for use in explosive containment. The device comprises an assembly of at least two rows of bars positioned to eliminate line-of-sight trajectories between the generation point of fragments and a surrounding containment vessel or asset. The device comprises an array of at least two rows of bars, wherein each row is staggered with respect to the adjacent row, and wherein a lateral dimension of each bar and a relative position of each bar in combination provides blockage of a straight-line passage of a solid fragment through the adjacent rows of bars, wherein a generation point of the solid fragment is located within a cavity at least partially enclosed by the array of bars.

  9. DNA fragmentation in spermatozoa

    DEFF Research Database (Denmark)

    Rex, A S; Aagaard, J.; Fedder, J

    2017-01-01

    Sperm DNA Fragmentation has been extensively studied for more than a decade. In the 1940s the uniqueness of the spermatozoa protein complex which stabilizes the DNA was discovered. In the fifties and sixties, the association between unstable chromatin structure and subfertility was investigated....... In the seventies, the impact of induced DNA damage was investigated. In the 1980s the concept of sperm DNA fragmentation as related to infertility was introduced as well as the first DNA fragmentation test: the Sperm Chromatin Structure Assay (SCSA). The terminal deoxynucleotidyl transferase nick end labelling...... (TUNEL) test followed by others was introduced in the nineties. The association between DNA fragmentation in spermatozoa and pregnancy loss has been extensively investigated spurring the need for a therapeutic tool for these patients. This gave rise to an increased interest in the aetiology of DNA damage...

  10. Corrosion evaluation of heat recovery steam generator superheater tube in two methods of testing: Tafel polarization and electrochemical impedance spectroscopy (EIS)

    Science.gov (United States)

    Santoso, Rio Pudjidarma; Riastuti, Rini

    2018-05-01

    The purpose of this research is to evaluate the corrosion process which occurs on the water side of Heat Recovery Steam Generator (HRSG) superheater tube. The tube was 13CrMo44 and divided into 3 types of specimen: new tube, used tube (with oxide layer on surface), cleaned-used tube (without oxide layer on surface). The evaluation of corrosion parameters wasperformed using deaerated ultra-high purity water (boiler feed water) in two methods of testing: Tafel polarization and Electrochemical Impedance Spectroscopy (EIS). Tafel polarization was excellent as its capability to show the value of corrosion current and the corrosion rate explicitly, on the other hand, EIS was excellent as its capability to explain for corrosion mechanism on metal interface in detail. Both methods showed that the increase of electrolyte temperature from 25°C to 55°C would increase the corrosion rate with the mechanism of decreasing polarization resistance due to thinning out the passive film thickness and enlarge the area of reduction reaction of cathode. Magnetite oxide scale which is laid on the surface of used tube specimen shows protective nature to reduce the corrosion rate, and clear up this oxide would increase the corrosion rate back as new tube.

  11. Graph Theory. 1. Fragmentation of Structural Graphs

    Directory of Open Access Journals (Sweden)

    Lorentz JÄNTSCHI

    2002-12-01

    Full Text Available The investigation of structural graphs has many fields of applications in engineering, especially in applied sciences like as applied chemistry and physics, computer sciences and automation, electronics and telecommunication. The main subject of the paper is to express fragmentation criteria in graph using a new method of investigation: terminal paths. Using terminal paths are defined most of the fragmentation criteria that are in use in molecular topology, but the fields of applications are more generally than that, as I mentioned before. Graphical examples of fragmentation are given for every fragmentation criteria. Note that all fragmentation is made with a computer program that implements a routine for every criterion.[1] A web routine for tracing all terminal paths in graph can be found at the address: http://vl.academicdirect.ro/molecular_topology/tpaths/ [1] M. V. Diudea, I. Gutman, L. Jäntschi, Molecular Topology, Nova Science, Commack, New York, 2001, 2002.

  12. Fragment Impact Toolkit (FIT)

    Energy Technology Data Exchange (ETDEWEB)

    Shevitz, Daniel Wolf [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Key, Brian P. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Garcia, Daniel B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-09-05

    The Fragment Impact Toolkit (FIT) is a software package used for probabilistic consequence evaluation of fragmenting sources. The typical use case for FIT is to simulate an exploding shell and evaluate the consequence on nearby objects. FIT is written in the programming language Python and is designed as a collection of interacting software modules. Each module has a function that interacts with the other modules to produce desired results.

  13. Effective inclusion of polarization effects in calculations of the oscillator strengths and transition energies in atoms and molecules using the equation-of-motion method

    International Nuclear Information System (INIS)

    Glushkov, A.V.; Kol'tsova, N.Yu.

    1994-01-01

    Equations of motion were solved by a modified method in a quasi-particle representation of the density functional taking into account the most important polarization effects, including the so-called 2p-2h two-particle-two-hole interactions. Based on these calculations, spectroscopic data on energies and oscillator strengths of the helium atom (the test computation), carbon monoxide, nitrogen molecule, and ethylene are presented that refine some previously reported experimental and theoretical results. It is shown that in some cases the inclusion of polarization corrections introduced by 2p-2h effects is of basic importance because it provides up to ∼30% contribution to the energies and oscillator strengths. 23 refs., 5 tabs

  14. A new high accuracy non-polynomial tension spline method for the solution of one dimensional wave equation in polar co-ordinates

    Directory of Open Access Journals (Sweden)

    Venu Gopal

    2014-07-01

    Full Text Available In this paper, we propose a new three-level implicit nine point compact finite difference formulation of O(k2 + h4 based on non-polynomial tension spline approximation in r-direction and finite difference approximation in t-direction for the numerical solution of one dimensional wave equation in polar co-ordinates. We describe the mathematical formulation procedure in details and also discuss the stability of the method. Numerical results are provided to justify the usefulness of the proposed method.

  15. Telomere Restriction Fragment (TRF) Analysis.

    Science.gov (United States)

    Mender, Ilgen; Shay, Jerry W

    2015-11-20

    While telomerase is expressed in ~90% of primary human tumors, most somatic tissue cells except transiently proliferating stem-like cells do not have detectable telomerase activity (Shay and Wright, 1996; Shay and Wright, 2001). Telomeres progressively shorten with each cell division in normal cells, including proliferating stem-like cells, due to the end replication (lagging strand synthesis) problem and other causes such as oxidative damage, therefore all somatic cells have limited cell proliferation capacity (Hayflick limit) (Hayflick and Moorhead, 1961; Olovnikov, 1973). The progressive telomere shortening eventually leads to growth arrest in normal cells, which is known as replicative senescence (Shay et al. , 1991). Once telomerase is activated in cancer cells, telomere length is stabilized by the addition of TTAGGG repeats to the end of chromosomes, thus enabling the limitless continuation of cell division (Shay and Wright, 1996; Shay and Wright, 2001). Therefore, the link between aging and cancer can be partially explained by telomere biology. There are many rapid and convenient methods to study telomere biology such as Telomere Restriction Fragment (TRF), Telomere Repeat Amplification Protocol (TRAP) (Mender and Shay, 2015b) and Telomere dysfunction Induced Foci (TIF) analysis (Mender and Shay, 2015a). In this protocol paper we describe Telomere Restriction Fragment (TRF) analysis to determine average telomeric length of cells. Telomeric length can be indirectly measured by a technique called Telomere Restriction Fragment analysis (TRF). This technique is a modified Southern blot, which measures the heterogeneous range of telomere lengths in a cell population using the length distribution of the terminal restriction fragments (Harley et al. , 1990; Ouellette et al. , 2000). This method can be used in eukaryotic cells. The description below focuses on the measurement of human cancer cells telomere length. The principle of this method relies on the lack of

  16. Polarization experiments

    International Nuclear Information System (INIS)

    Halzen, F.

    1977-02-01

    In a theoretical review of polarization experiments two important points are emphasized: (a) their versatility and their relevance to a large variety of aspects of hadron physics (tests of basic symmetries; a probe of strong interaction dynamics; a tool for hadron spectroscopy); (b) the wealth of experimental data on polarization parameters in pp and np scattering in the Regge language and in the diffraction language. (author)

  17. Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.

    Science.gov (United States)

    Kutchukian, Peter S; So, Sung-Sau; Fischer, Christian; Waller, Chris L

    2015-01-01

    Fragment based screening (FBS) has emerged as a mainstream lead discovery strategy in academia, biotechnology start-ups, and large pharma. As a prerequisite of FBS, a structurally diverse library of fragments is desirable in order to identify chemical matter that will interact with the range of diverse target classes that are prosecuted in contemporary screening campaigns. In addition, it is also desirable to offer synthetically amenable starting points to increase the probability of a successful fragment evolution through medicinal chemistry. Herein we describe a method to identify biologically relevant chemical substructures that are missing from an existing fragment library (chemical gaps), and organize these chemical gaps hierarchically so that medicinal chemists can efficiently navigate the prioritized chemical space and subsequently select purchasable fragments for inclusion in an enhanced fragment library.

  18. High efficiency hydrodynamic DNA fragmentation in a bubbling system

    NARCIS (Netherlands)

    Li, Lanhui; Jin, Mingliang; Sun, Chenglong; Wang, Xiaoxue; Xie, Shuting; Zhou, Guofu; Van Den Berg, Albert; Eijkel, Jan C.T.; Shui, Lingling

    2017-01-01

    DNA fragmentation down to a precise fragment size is important for biomedical applications, disease determination, gene therapy and shotgun sequencing. In this work, a cheap, easy to operate and high efficiency DNA fragmentation method is demonstrated based on hydrodynamic shearing in a bubbling

  19. Polarized epithermal neutron spectrometer at KENS

    International Nuclear Information System (INIS)

    Kohgi, M.

    1983-01-01

    A spectrometer employing a white, epithermal, polarized neutron beam is under construction at KENS. The neutron polarization is achieved by passage through a dynamically polarized proton filter (DPPF). The results of the test experiments show that the DPPF method is promising in obtaining polarized epithermal neutron beam. The basic design of the spectrometer is described

  20. Fragment separator momentum compression schemes

    Energy Technology Data Exchange (ETDEWEB)

    Bandura, Laura, E-mail: bandura@anl.gov [Facility for Rare Isotope Beams (FRIB), 1 Cyclotron, East Lansing, MI 48824-1321 (United States); National Superconducting Cyclotron Lab, Michigan State University, 1 Cyclotron, East Lansing, MI 48824-1321 (United States); Erdelyi, Bela [Argonne National Laboratory, Argonne, IL 60439 (United States); Northern Illinois University, DeKalb, IL 60115 (United States); Hausmann, Marc [Facility for Rare Isotope Beams (FRIB), 1 Cyclotron, East Lansing, MI 48824-1321 (United States); Kubo, Toshiyuki [RIKEN Nishina Center, RIKEN, Wako (Japan); Nolen, Jerry [Argonne National Laboratory, Argonne, IL 60439 (United States); Portillo, Mauricio [Facility for Rare Isotope Beams (FRIB), 1 Cyclotron, East Lansing, MI 48824-1321 (United States); Sherrill, Bradley M. [National Superconducting Cyclotron Lab, Michigan State University, 1 Cyclotron, East Lansing, MI 48824-1321 (United States)

    2011-07-21

    We present a scheme to use a fragment separator and profiled energy degraders to transfer longitudinal phase space into transverse phase space while maintaining achromatic beam transport. The first order beam optics theory of the method is presented and the consequent enlargement of the transverse phase space is discussed. An interesting consequence of the technique is that the first order mass resolving power of the system is determined by the first dispersive section up to the energy degrader, independent of whether or not momentum compression is used. The fragment separator at the Facility for Rare Isotope Beams is a specific application of this technique and is described along with simulations by the code COSY INFINITY.

  1. Fragment separator momentum compression schemes

    International Nuclear Information System (INIS)

    Bandura, Laura; Erdelyi, Bela; Hausmann, Marc; Kubo, Toshiyuki; Nolen, Jerry; Portillo, Mauricio; Sherrill, Bradley M.

    2011-01-01

    We present a scheme to use a fragment separator and profiled energy degraders to transfer longitudinal phase space into transverse phase space while maintaining achromatic beam transport. The first order beam optics theory of the method is presented and the consequent enlargement of the transverse phase space is discussed. An interesting consequence of the technique is that the first order mass resolving power of the system is determined by the first dispersive section up to the energy degrader, independent of whether or not momentum compression is used. The fragment separator at the Facility for Rare Isotope Beams is a specific application of this technique and is described along with simulations by the code COSY INFINITY.

  2. Review of polarized ammonium target

    International Nuclear Information System (INIS)

    Matsuda, Tatsuo

    1987-01-01

    Recently, ammonia (NH 3 ) and deutron ammonia (ND 3 ), instead of conventional alcohol substances, have been used more frequently as a polarized target substance for experiments of polarization at high energy regions. This article reviews major features of the polarized (deutron) ammonia targets. The dynamic nuclear polarization (DNT) method is widely used in high energy polarization experiments. While only a low polarization degree of hydrogen nucleus of 1.7 percent can be obtained by the Brute force method, DNP can produce polarization as high as ∼ 90 percent (2.5 T, ∼ 200 mK). In 1979, ammonia was irradiated with radiations to form NH 2 free radicals, resulting in the achievement of a high polarization degree of greater than 90 percent (hydrogen). Since then, ammonia and deutron ammonia have increasingly been replacing alcohols including butanol. Irradiation of a target substance with radiations destroys the structure of the substance, leading to a decrease in polarization degree. However, ammonia produces unpaired electrons as a result of irradiation, allowing it to be highly resistant to radiation. This report also present some study results, including observations on effects of radiation on the polarization degree of a target, effects of annealing, and polarization of 14 N. A process for producing an ammonia target is also described. (Nogami, K.)

  3. Revisiting the Lund Fragmentation Model

    International Nuclear Information System (INIS)

    Andersson, B.; Nilsson, A.

    1992-10-01

    We present a new method to implement the Lund Model fragmentation distributions for multi-gluon situations. The method of Sjoestrand, implemented in the well-known Monte Carlo simulation program JETSET, is robust and direct and according to his findings there are no observable differences between different ways to implement his scheme. His method can be described as a space-time method because the breakup proper time plays a major role. The method described in this paper is built on energy-momentum space methods. We make use of the χ-curve, which is defined directly from the energy momentum vectors of the partons. We have shown that the χ-curve describes the breakup properties and the final state energy momentum distributions in the mean. We present a method to find the variations around the χ-curve, which also implements the basic Lund Model fragmentation distributions (the area-law and the corresponding iterative cascade). We find differences when comparing the corresponding Monte Carlo implementation REVJET to the JETSET distributions inside the gluon jets. (au)

  4. Dynamic nuclear spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Stuhrmann, H B [GKSS-Forschungszentrum Geesthacht GmbH (Germany)

    1996-11-01

    Polarized neutron scattering from dynamic polarized targets has been applied to various hydrogenous materials at different laboratories. In situ structures of macromolecular components have been determined by nuclear spin contrast variation with an unprecedented precision. The experiments of selective nuclear spin depolarisation not only opened a new dimension to structural studies but also revealed phenomena related to propagation of nuclear spin polarization and the interplay of nuclear polarisation with the electronic spin system. The observation of electron spin label dependent nuclear spin polarisation domains by NMR and polarized neutron scattering opens a way to generalize the method of nuclear spin contrast variation and most importantly it avoids precontrasting by specific deuteration. It also likely might tell us more about the mechanism of dynamic nuclear spin polarisation. (author) 4 figs., refs.

  5. Fragmentation of relativistic nuclei

    International Nuclear Information System (INIS)

    Cork, B.

    1975-06-01

    Nuclei with energies of several GeV/n interact with hadrons and produce fragments that encompass the fields of nuclear physics, meson physics, and particle physics. Experimental results are now available to explore problems in nuclear physics such as the validity of the shell model to explain the momentum distribution of fragments, the contribution of giant dipole resonances to fragment production cross sections, the effective Coulomb barrier, and nuclear temperatures. A new approach to meson physics is possible by exploring the nucleon charge-exchange process. Particle physics problems are explored by measuring the energy and target dependence of isotope production cross sections, thus determining if limiting fragmentation and target factorization are valid, and measuring total cross sections to determine if the factorization relation, sigma/sub AB/ 2 = sigma/sub AA/ . sigma/sub BB/, is violated. Also, new experiments have been done to measure the angular distribution of fragments that could be explained as nuclear shock waves, and to explore for ultradense matter produced by very heavy ions incident on heavy atoms. (12 figures, 2 tables)

  6. The polarization modulation and fabrication method of two dimensional silica photonic crystals based on UV nanoimprint lithography and hot imprint.

    Science.gov (United States)

    Guo, Shuai; Niu, Chunhui; Liang, Liang; Chai, Ke; Jia, Yaqing; Zhao, Fangyin; Li, Ya; Zou, Bingsuo; Liu, Ruibin

    2016-10-04

    Based on a silica sol-gel technique, highly-structurally ordered silica photonic structures were fabricated by UV lithography and hot manual nanoimprint efforts, which makes large-scale fabrication of silica photonic crystals easy and results in low-cost. These photonic structures show perfect periodicity, smooth and flat surfaces and consistent aspect ratios, which are checked by scanning electron microscopy (SEM) and atomic force microscopy (AFM). In addition, glass substrates with imprinted photonic nanostructures show good diffraction performance in both transmission and reflection mode. Furthermore, the reflection efficiency can be enhanced by 5 nm Au nanoparticle coating, which does not affect the original imprint structure. Also the refractive index and dielectric constant of the imprinted silica is close to that of the dielectric layer in nanodevices. In addition, the polarization characteristics of the reflected light can be modulated by stripe nanostructures through changing the incident light angle. The experimental findings match with theoretical results, making silica photonic nanostructures functional integration layers in many optical or optoelectronic devices, such as LED and microlasers to enhance the optical performance and modulate polarization properties in an economical and large-scale way.

  7. A pseudo-spectral method for the simulation of poro-elastic seismic wave propagation in 2D polar coordinates using domain decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Sidler, Rolf, E-mail: rsidler@gmail.com [Center for Research of the Terrestrial Environment, University of Lausanne, CH-1015 Lausanne (Switzerland); Carcione, José M. [Istituto Nazionale di Oceanografia e di Geofisica Sperimentale (OGS), Borgo Grotta Gigante 42c, 34010 Sgonico, Trieste (Italy); Holliger, Klaus [Center for Research of the Terrestrial Environment, University of Lausanne, CH-1015 Lausanne (Switzerland)

    2013-02-15

    We present a novel numerical approach for the comprehensive, flexible, and accurate simulation of poro-elastic wave propagation in 2D polar coordinates. An important application of this method and its extensions will be the modeling of complex seismic wave phenomena in fluid-filled boreholes, which represents a major, and as of yet largely unresolved, computational problem in exploration geophysics. In view of this, we consider a numerical mesh, which can be arbitrarily heterogeneous, consisting of two or more concentric rings representing the fluid in the center and the surrounding porous medium. The spatial discretization is based on a Chebyshev expansion in the radial direction and a Fourier expansion in the azimuthal direction and a Runge–Kutta integration scheme for the time evolution. A domain decomposition method is used to match the fluid–solid boundary conditions based on the method of characteristics. This multi-domain approach allows for significant reductions of the number of grid points in the azimuthal direction for the inner grid domain and thus for corresponding increases of the time step and enhancements of computational efficiency. The viability and accuracy of the proposed method has been rigorously tested and verified through comparisons with analytical solutions as well as with the results obtained with a corresponding, previously published, and independently benchmarked solution for 2D Cartesian coordinates. Finally, the proposed numerical solution also satisfies the reciprocity theorem, which indicates that the inherent singularity associated with the origin of the polar coordinate system is adequately handled.

  8. The polarization of fast neutrons

    International Nuclear Information System (INIS)

    Talov, V.V.

    2001-01-01

    It is insufficient to know coordinates and momentum to describe a state of a neutron. It is necessary to define a spin orientation. As far as it is known from quantum mechanics, a half spin has a projection in the positive direction or in the negative direction. The probability of both projections in an unpolarized beam is equal. If a direction exists, in which the projection is more probably then beam is called polarized in this direction. It is essential to know polarization of neutrons for characteristics of a neutron source, which is emitting it. The question of polarization of fast neutrons came up in 50's. The present work is the review of polarization of fast neutrons and methods of polarization analysis. This also includes information about polarization of fast neutrons from first papers, which described polarization in the D(d,n) 3 He, 7 Li (p,n) 7 Be, T(p,n) 3 He reactions. (authors)

  9. Sources of polarized neutrons

    International Nuclear Information System (INIS)

    Walter, L.

    1983-01-01

    Various sources of polarized neutrons are reviewed. Monoenergetic source produced with unpolarized or polarized beams, white sources of polarized neutrons, production by transmissions through polarized hydrogen targets and polarized thermal neutronsare discussed, with appropriate applications included. (U.K.)

  10. A Simultaneous Analytical Method to Profile Non-Volatile Components with Low Polarity Elucidating Differences Between Tobacco Leaves Using Atmospheric Pressure Chemical Ionization Mass Spectrometry Detection

    Directory of Open Access Journals (Sweden)

    Ishida Naoyuki

    2016-04-01

    Full Text Available A comprehensive analytical method using liquid chromatography atmospheric pressure chemical ionization mass spectrometry detector (LC/APCI-MSD was developed to determine key non-volatile components with low polarity elucidating holistic difference among tobacco leaves. Nonaqueous reversed-phase chromatography (NARPC using organic solvent ensured simultaneous separation of various components with low polarity in tobacco resin. Application of full-scan mode to APCI-MSD hyphenated with NARPC enabled simultaneous detection of numerous intense product ions given by APCI interface. Parameters for data processing to filter, feature and align peaks were adjusted in order to strike a balance between comprehensiveness and reproducibility in analysis. 63 types of components such as solanesols, chlorophylls, phytosterols, triacylglycerols, solanachromene and others were determined on total ion chromatograms according to authentic components, wavelength spectrum and mass spectrum. The whole area of identified entities among the ones detected on total ion chromatogram reached to over 60% and major entities among those identified showed favorable linearity of determination coefficient of over 0.99. The developed method and data processing procedure were therefore considered feasible for subsequent multivariate analysis. Data matrix consisting of a number of entities was then subjected to principal component analysis (PCA and hierarchical clustering analysis. Cultivars of tobacco leaves were distributed far from each cultivar on PCA score plot and each cluster seemed to be characterized by identified non-volatile components with low polarity. While fluecured Virginia (FCV was loaded by solanachromene, phytosterol esters and triacylglycerols, free phytosterols and chlorophylls loaded Burley (BLY and Oriental (ORI respectively. Consequently the whole methodology consisting of comprehensive method and data processing procedure proved useful to determine key

  11. An improved algorithm for MFR fragment assembly

    International Nuclear Information System (INIS)

    Kontaxis, Georg

    2012-01-01

    A method for generating protein backbone models from backbone only NMR data is presented, which is based on molecular fragment replacement (MFR). In a first step, the PDB database is mined for homologous peptide fragments using experimental backbone-only data i.e. backbone chemical shifts (CS) and residual dipolar couplings (RDC). Second, this fragment library is refined against the experimental restraints. Finally, the fragments are assembled into a protein backbone fold using a rigid body docking algorithm using the RDCs as restraints. For improved performance, backbone nuclear Overhauser effects (NOEs) may be included at that stage. Compared to previous implementations of MFR-derived structure determination protocols this model-building algorithm offers improved stability and reliability. Furthermore, relative to CS-ROSETTA based methods, it provides faster performance and straightforward implementation with the option to easily include further types of restraints and additional energy terms.

  12. Land fragmentation and production diversification

    NARCIS (Netherlands)

    Ciaian, Pavel; Guri, Fatmir; Rajcaniova, Miroslava; Drabik, Dusan; Paloma, Sergio Gomez Y.

    2018-01-01

    We analyze the impact of land fragmentation on production diversification in rural Albania. Albania represents a particularly interesting case for studying land fragmentation as the fragmentation is a direct outcome of land reforms. The results indicate that land fragmentation is an important driver

  13. H- ion current from a polarized vapor target

    International Nuclear Information System (INIS)

    Cornelius, W.D.

    1984-01-01

    A method of determining the polarization transferred to hydrogen atoms in charge-exchange reactions is outlined. The method also provides a means of determining target polarizations once the polarization transfer function is known

  14. Heavy fragment radioactivity

    International Nuclear Information System (INIS)

    Silisteanu, I.

    1991-06-01

    The effect of collective mode excitation in heavy fragment radioactivity (HFR) is explored and discussed in the light of current experimental data. It is found that the coupling and resonance effects in fragment interaction and also the proper angular momentum effects may lead to an important enhancing of the emission process. New useful procedures are proposed for the study of nuclear decay properties. The relations between different decay processes are investigated in detail. We are also trying to understand and explain in a unified way the reaction mechanisms in decay phenomena. (author). 17 refs, 4 figs, 3 tabs

  15. Polarized Neutron Scattering

    OpenAIRE

    Roessli, B.; Böni, P.

    2000-01-01

    The technique of polarized neutron scattering is reviewed with emphasis on applications. Many examples of the usefulness of the method in various fields of physics are given like the determination of spin density maps, measurement of complex magnetic structures with spherical neutron polarimetry, inelastic neutron scattering and separation of coherent and incoherent scattering with help of the generalized XYZ method.

  16. Heart Rate Fragmentation: A Symbolic Dynamical Approach

    Directory of Open Access Journals (Sweden)

    Madalena D. Costa

    2017-11-01

    Full Text Available Background: We recently introduced the concept of heart rate fragmentation along with a set of metrics for its quantification. The term was coined to refer to an increase in the percentage of changes in heart rate acceleration sign, a dynamical marker of a type of anomalous variability. The effort was motivated by the observation that fragmentation, which is consistent with the breakdown of the neuroautonomic-electrophysiologic control system of the sino-atrial node, could confound traditional short-term analysis of heart rate variability.Objective: The objectives of this study were to: (1 introduce a symbolic dynamical approach to the problem of quantifying heart rate fragmentation; (2 evaluate how the distribution of the different dynamical patterns (“words” varied with the participants' age in a group of healthy subjects and patients with coronary artery disease (CAD; and (3 quantify the differences in the fragmentation patterns between the two sample populations.Methods: The symbolic dynamical method employed here was based on a ternary map of the increment NN interval time series and on the analysis of the relative frequency of symbolic sequences (words with a pre-defined set of features. We analyzed annotated, open-access Holter databases of healthy subjects and patients with CAD, provided by the University of Rochester Telemetric and Holter ECG Warehouse (THEW.Results: The degree of fragmentation was significantly higher in older individuals than in their younger counterparts. However, the fragmentation patterns were different in the two sample populations. In healthy subjects, older age was significantly associated with a higher percentage of transitions from acceleration/deceleration to zero acceleration and vice versa (termed “soft” inflection points. In patients with CAD, older age was also significantly associated with higher percentages of frank reversals in heart rate acceleration (transitions from acceleration to

  17. Predicting "Hot" and "Warm" Spots for Fragment Binding.

    Science.gov (United States)

    Rathi, Prakash Chandra; Ludlow, R Frederick; Hall, Richard J; Murray, Christopher W; Mortenson, Paul N; Verdonk, Marcel L

    2017-05-11

    Computational fragment mapping methods aim to predict hotspots on protein surfaces where small fragments will bind. Such methods are popular for druggability assessment as well as structure-based design. However, to date researchers developing or using such tools have had no clear way of assessing the performance of these methods. Here, we introduce the first diverse, high quality validation set for computational fragment mapping. The set contains 52 diverse examples of fragment binding "hot" and "warm" spots from the Protein Data Bank (PDB). Additionally, we describe PLImap, a novel protocol for fragment mapping based on the Protein-Ligand Informatics force field (PLIff). We evaluate PLImap against the new fragment mapping test set, and compare its performance to that of simple shape-based algorithms and fragment docking using GOLD. PLImap is made publicly available from https://bitbucket.org/AstexUK/pli .

  18. Polarization: A must for fusion

    Directory of Open Access Journals (Sweden)

    Didelez J.-P.

    2013-11-01

    Full Text Available The complete polarization of DT fuel would increase the fusion reactivity by 50% in magnetic as well as in inertial confinements. The persistence of polarization in a fusion process could be tested, using a terawatt laser hitting a polarized HD target. The polarized deuterons heated in the plasma induced by the laser can fuse producing a 3He and a neutron in the final state. The angular distribution of the emitted neutrons and the change in the corresponding total Cross Section (CS can sign the polarization persistence. The polarization of solid H2, D2 or T2 Hydrogen isotopes is very difficult. However, it has been possible to polarize HD, a hetero-molecular form of Hydrogen, by static polarization, at very low temperature and very high field. The radioactivity of DT molecules forbids there high polarization by the static method, therefore one has to develop the Dynamic Nuclear Polarization (DNP by RF transitions. The DNP of HD has been investigated in the past. The magnetic properties of HD and DT molecules are very similar, it is therefore expected that any polarization result obtained with HD could be extrapolated to DT.

  19. Blazed vector grating liquid crystal cells with photocrosslinkable polymeric alignment films fabricated by one-step polarizer rotation method

    Science.gov (United States)

    Kawai, Kotaro; Kuzuwata, Mitsuru; Sasaki, Tomoyuki; Noda, Kohei; Kawatsuki, Nobuhiro; Ono, Hiroshi

    2014-12-01

    Blazed vector grating liquid crystal (LC) cells, in which the directors of low-molar-mass LCs are antisymmetrically distributed, were fabricated by one-step exposure of an empty glass cell inner-coated with a photocrosslinkable polymer LC (PCLC) to UV light. By adopting a LC cell structure, twisted nematic (TN) and homogeneous (HOMO) alignments were obtained in the blazed vector grating LC cells. Moreover, the diffraction efficiency of the blazed vector grating LC cells was greatly improved by increasing the thickness of the device in comparison with that of a blazed vector grating with a thin film structure obtained in our previous study. In addition, the diffraction efficiency and polarization states of ±1st-order diffracted beams from the resultant blazed vector grating LC cells were controlled by designing a blazed pattern in the alignment films, and these diffraction properties were well explained on the basis of Jones calculus and the elastic continuum theory of nematic LCs.

  20. Fragmentation in DNA double-strand breaks

    International Nuclear Information System (INIS)

    Wei Zhiyong; Suzhou Univ., Suzhou; Zhang Lihui; Li Ming; Fan Wo; Xu Yujie

    2005-01-01

    DNA double strand breaks are important lesions induced by irradiations. Random breakage model or quantification supported by this concept is suitable to analyze DNA double strand break data induced by low LET radiation, but deviation from random breakage model is more evident in high LET radiation data analysis. In this work we develop a new method, statistical fragmentation model, to analyze the fragmentation process of DNA double strand breaks. After charged particles enter the biological cell, they produce ionizations along their tracks, and transfer their energies to the cells and break the cellular DNA strands into fragments. The probable distribution of the fragments is obtained under the condition in which the entropy is maximum. Under the approximation E≅E 0 + E 1 l + E 2 l 2 , the distribution functions are obtained as exp(αl + βl 2 ). There are two components, the one proportional to exp(βl 2 ), mainly contributes to the low mass fragment yields, the other component, proportional to exp(αl), decreases slowly as the mass of the fragments increases. Numerical solution of the constraint equations provides parameters α and β. Experimental data, especially when the energy deposition is higher, support the statistical fragmentation model. (authors)

  1. NMR dispersion measurement of dynamic nuclear polarization

    International Nuclear Information System (INIS)

    Davies, K.; Cox, S.F.J.

    1978-01-01

    The feasibility of monitoring dynamic nuclear polarization from the NMR dispersive susceptibility is examined. Two prototype instruments are tested in a polarized proton target using organic target material. The more promising employs a tunnel diode oscillator, inside the target cavity, and should provide a precise polarization measurement working at a frequency far enough from the main resonance for the disturbance of the measured polarization to be negligible. Other existing methods for measuring target polarization are briefly reviewed. (author)

  2. PELE fragmentation dynamics

    NARCIS (Netherlands)

    Verreault, J.; Hinsberg, N.P. van; Abadjieva, E.

    2013-01-01

    An analytical model that describes the PELE fragmentation dynamics is presented and compared with experimental results from literature. The model accounts for strong shock effects and detailed interactions taking place between the filling – the inner core of the ammunition – and the target

  3. Cryobiology of coral fragments.

    Science.gov (United States)

    Hagedorn, Mary; Farrell, Ann; Carter, Virginia L

    2013-02-01

    Around the world, coral reefs are dying due to human influences, and saving habitat alone may not stop this destruction. This investigation focused on the biological processes that will provide the first steps in understanding the cryobiology of whole coral fragments. Coral fragments are a partnership of coral tissue and endosymbiotic algae, Symbiodinium sp., commonly called zooxanthellae. These data reflected their separate sensitivities to chilling and a cryoprotectant (dimethyl sulfoxide) for the coral Pocillopora damicornis, as measured by tissue loss and Pulse Amplitude Modulated fluorometry 3weeks post-treatment. Five cryoprotectant treatments maintained the viability of the coral tissue and zooxanthellae at control values (1M dimethyl sulfoxide at 1.0, 1.5 and 2.0h exposures, and 1.5M dimethyl sulfoxide at 1.0 and 1.5h exposures, P>0.05, ANOVA), whereas 2M concentrations did not (Pzooxanthellae. During the winter when the fragments were chilled, the coral tissue remained relatively intact (∼25% loss) post-treatment, but the zooxanthellae numbers in the tissue declined after 5min of chilling (Pzooxanthellae numbers declined in response to chilling alone (P0.05, ANOVA), but it did not protect against the loss of zooxanthellae (Pzooxanthellae are the most sensitive element in the coral fragment complex and future cryopreservation protocols must be guided by their greater sensitivity. Copyright © 2012 Elsevier Inc. All rights reserved.

  4. Fragments of the Past

    OpenAIRE

    Peter Szende; Annie Holcombe

    2016-01-01

    With travel being made more accessible throughout the decades, the hospitality industry constantly evolved their practices as society and technology progressed. Hotels looked for news ways up service their customers, which led to the invention of the Servidor in 1918. Once revolutionary innovations have gone extinct, merely becoming fragments of the past.

  5. Synthesis of arabinoxylan fragments

    DEFF Research Database (Denmark)

    Underlin, Emilie Nørmølle; Böhm, Maximilian F.; Madsen, Robert

    , or production of commercial chemicals which are mainly obtained from fossil fuels today.The arbinoxylan fragments have a backbone of β-1,4-linked xylans with α-L-arabinose units attached at specific positions. The synthesis ultilises an efficient synthetic route, where all the xylan units can be derived from D...

  6. Fragmented Work Stories

    DEFF Research Database (Denmark)

    Humle, Didde Maria; Reff Pedersen, Anne

    2015-01-01

    stories. We argue that meaning by story making is not always created by coherence and causality; meaning is created by different types of fragmentation: discontinuities, tensions and editing. The objective of this article is to develop and advance antenarrative practice analysis of work stories...

  7. Fragments of the Past

    Directory of Open Access Journals (Sweden)

    Peter Szende

    2016-10-01

    Full Text Available With travel being made more accessible throughout the decades, the hospitality industry constantly evolved their practices as society and technology progressed. Hotels looked for news ways up service their customers, which led to the invention of the Servidor in 1918. Once revolutionary innovations have gone extinct, merely becoming fragments of the past.

  8. Measuring fluorescence polarization with a dichrometer.

    Science.gov (United States)

    Sutherland, John C

    2017-09-01

    A method for obtaining fluorescence polarization data from an instrument designed to measure circular and linear dichroism is compared with a previously reported approach. The new method places a polarizer between the sample and a detector mounted perpendicular to the direction of the incident beam and results in determination of the fluorescence polarization ratio, whereas the previous method does not use a polarizer and yields the fluorescence anisotropy. A similar analysis with the detector located axially with the excitation beam demonstrates that there is no frequency modulated signal due to fluorescence polarization in the absence of a polarizer. Copyright © 2017. Published by Elsevier Inc.

  9. On the use of the polarization method of remote indication of oil pollutants on the sea surface under different hydrometerological conditions and at different altitudes of the sun

    Energy Technology Data Exchange (ETDEWEB)

    Buznikov, A A; Lakhtanov, G A

    1980-01-01

    Results of experimental investigations of water areas of the Caspian sea with the aid of a specially developed shipboard polarimeter. Interpretation of the remote measurements was carried out by laboratory analysis of the thickness of the oil film and the amount of dissolved oil in samples gathered from the surface of the sea. Analysis of the influence of weather conditions and of the composition of the petroleum products on the results of remote indications made it possible to formulate concrete methodical recommendations for achieving optimum results in remote assessment of oil pollutants of seawater areas. The effectiveness of the polarization method under different hydrometerological conditions makes it possible to regard it as a good supplementation to the traditional visual and instrumental methods of monitoring pollution of bodies of water.

  10. Polarization study

    International Nuclear Information System (INIS)

    Nurushev, S.B.

    1989-01-01

    Brief review is presented of the high energy polarization study including experimental data and the theoretical descriptions. The mostimportant proposals at the biggest accelerators and the crucial technical developments are also listed which may become a main-line of spin physics. 35 refs.; 10 figs.; 4 tabs

  11. Polar Stratigraphy

    Science.gov (United States)

    1999-01-01

    These three images were taken on three different orbits over the north polar cap in April 1999. Each shows a different part of the same ice-free trough. The left and right images are separated by a distance of more than 100 kilometers (62 miles). Note the similar layers in each image.

  12. Parton fragmentation and string dynamics

    International Nuclear Information System (INIS)

    Andersson, B.; Gustafson, G.; Ingelman, G.; Sjoestrand, T.

    1983-01-01

    While much has been learned recently about quark and gluon interactions in the framework of perturbative Quantum Chromodynamics, the relation between calculated parton properties and observed hadron densities involves models where dynamics and jet empirical rules have to be combined. The purpose of this article is to describe a presently successful approach which is based on a cascade jet model using String dynamics. It can readily lead to Monte Carlo jet programmes of great use when analyzing data. Production processes in an iterative cascade approach, with tunneling in a constant force field, are reviewed. Expected differences between quark and gluon jets are discussed. Low transverse momentum phenomena are also reviewed with emphasis on hyperon polarization. In so far as this approach uses a fragmentation scheme based on String dynamics, it was deemed appropriate to also include under the same cover a special report on the Classical theory of relativistic Strings, seen as the classical limit of the Dual Resonance model. The Equations of motion and interaction among strings are presented. (orig.)

  13. Catalyst of a metal heteropoly acid salt that is insoluble in a polar solvent on a non-metallic porous support and method of making

    Science.gov (United States)

    Wang, Yong [Richland, WA; Peden, Charles H. F. [West Richland, WA; Choi, Saemin [Richland, WA

    2002-10-29

    The present invention includes a catalyst having (a) a non-metallic support having a plurality of pores; (b) a metal heteropoly acid salt that is insoluble in a polar solvent on the non-metallic support; wherein at least a portion of the metal heteropoly acid salt is dispersed within said plurality of pores. The present invention also includes a method of depositing a metal heteropoly acid salt that is insoluble in a polar solvent onto a non-metallic support having a plurality of pores. The method has the steps of: (a) obtaining a first solution containing a first precursor of a metal salt cation; (b) obtaining a second solution containing a second precursor of a heteropoly acid anion in a solvent having a limited dissolution potential for said first precursor; (c) impregnating the non-metallic support with the first precursor forming a first precursor deposit within the plurality of pores, forming a first precursor impregnated support; (d) heating said first precursor impregnated support forming a bonded first precursor impregnated support; (e) impregnating the second precursor that reacts with the precursor deposit and forms the metal heteropoly acid salt.

  14. Fission fragment excited laser system

    Science.gov (United States)

    McArthur, David A.; Tollefsrud, Philip B.

    1976-01-01

    A laser system and method for exciting lasing action in a molecular gas lasing medium which includes cooling the lasing medium to a temperature below about 150 K and injecting fission fragments through the lasing medium so as to preferentially excite low lying vibrational levels of the medium and to cause population inversions therein. The cooled gas lasing medium should have a mass areal density of about 5 .times. 10.sup.-.sup.3 grams/square centimeter, relaxation times of greater than 50 microseconds, and a broad range of excitable vibrational levels which are excitable by molecular collisions.

  15. Simulation of natural fragmentation of rings cut from warheads

    Directory of Open Access Journals (Sweden)

    John F. Moxnes

    2015-12-01

    Full Text Available Natural fragmentation of warheads that detonates causes the casing of the warhead to split into various sized fragments through shear or radial fractures depending on the toughness, density, and grain size of the material. The best known formula for the prediction of the size distribution is the Mott formulae, which is further examined by Grady and Kipp by investigating more carefully the statistical most random way of portioning a given area into a number of entities. We examine the fragmentation behavior of radially expanding steel rings cut from a 25 mm warhead by using an in house smooth particle hydrodynamic (SPH simulation code called REGULUS. Experimental results were compared with numerical results applying varying particle size and stochastic fracture strain. The numerically obtained number of fragments was consistent with experimental results. Increasing expansion velocity of the rings increases the number of fragments. Statistical variation of the material parameters influences the fragment characteristics, especially for low expansion velocities. A least square regression fit to the cumulative number of fragments by applying a generalized Mott distribution shows that the shape parameter is around 4 for the rings, which is in contrast to the Mott distribution with a shape parameter of ½. For initially polar distributed particles, we see signs of a bimodal cumulative fragment distribution. Adding statistical variation in material parameters of the fracture model causes the velocity numerical solutions to become less sensitive to changes in resolution for Cartesian distributed particles.

  16. $\\Lambda$ and $\\bar{\\Lambda}$ polarization at COMPASS

    CERN Document Server

    Kang, Donghee

    2010-01-01

    At the COMPASS experiment $\\Lambda$ and $\\bar{\\Lambda}$ particles are produced with high statistics in deep inelastic scattering (DIS) processes of 160 GeV/c polarized muons. Since both, beam and target, are polarized, various studies on the $\\Lambda$ polarization are possible. We present results on the longitudinal polarization transfer from muons to $\\Lambda$ hyperons produced by scattering off an unpolarized isoscalar target and preliminary results on the transverse $\\Lambda$ polarization with a transversely polarized proton target. The $\\Lambda$ and $\\bar{\\Lambda}$ polarization can be studied by measuring the acceptance corrected angular distribution of its decay products. The longitudinal spin transfers to $\\Lambda$ and $\\bar{\\Lambda}$ produced in the current fragmentation region exhibit different behaviours as a function of $x_{Bj}$ and $x_{F}$. The $x_{Bj}$ and $x_{F}$ dependences of $\\Lambda$ polarization are compatible with zero, while $\\bar{\\Lambda}$ polarization tends to increase with $x_{F}$. Info...

  17. Study by polarized muon

    International Nuclear Information System (INIS)

    Yamazaki, Toshimitsu

    1977-01-01

    Experiments by using polarized muon beam are reported. The experiments were performed at Berkeley, U.S.A., and at Vancouver, Canada. The muon spin rotation is a useful method for the study of the spin polarization of conductive electrons in paramagnetic Pd metal. The muon Larmor frequency and the relaxation time can be obtained by measuring the time distribution of decay electrons of muon-electron process. The anomalous depolarization of negative muon spin rotation in the transitional metal was seen. The circular polarization of the negative muon X-ray was measured to make clear this phenomena. The experimental results show that the anomalous depolarization is caused at the 1-S-1/2 state. For the purpose to obtain the strong polarization of negative muon, a method of artificial polarization is proposed, and the test experiments are in progress. The study of the hyperfine structure of mu-mesic atoms is proposed. The muon capture rate was studied systematically. (Kato, T.)

  18. Polarization reversal in BaTiO{sub 3} nanostructures synthesized by microwave-assisted hydrothermal method

    Energy Technology Data Exchange (ETDEWEB)

    Velasco-Davalos, Ivan; Ambriz-Vargas, Fabian [Centre Énergie, Matériaux et Télécommunications, INRS, 1650 Lionel-Boulet, Varennes, Québec J3X1S2 (Canada); Gómez-Yáñez, Carlos [Departamento de Ingeniería en Metalurgia y Materiales, ESIQIE, Instituto Politécnico Nacional, UPALM, Zacatenco, CP 07738 DF, México (Mexico); Thomas, Reji, E-mail: reji.thomas@emt.inrs.ca [Centre Énergie, Matériaux et Télécommunications, INRS, 1650 Lionel-Boulet, Varennes, Québec J3X1S2 (Canada); Ruediger, Andreas, E-mail: ruediger@emt.inrs.ca [Centre Énergie, Matériaux et Télécommunications, INRS, 1650 Lionel-Boulet, Varennes, Québec J3X1S2 (Canada)

    2016-05-15

    Ferroelectric BaTiO{sub 3} nanostructures and thin films were deposited by a microwave assisted hydrothermal process at low temperatures (<250 °C) on metallic Pt/Al{sub 2}O{sub 3}/SiO{sub 2}/Si and Nb:SrTiO{sub 3} (100) substrates. TiO{sub 2} nanoparticles dispersed in the Ba(OH){sub 2} alkaline solution are used as the precursors without any mineralizers. The incorporation of H{sub 2}O{sub 2} into precursor solution served as a strong oxidant and catalyst for the uniform nucleation of BaTiO{sub 3} on the substrate surface. The polycrystalline and epitaxial nature of the films were confirmed by atomic force microscopy and x-ray diffraction studies. We report the ferroelectric behavior of BaTiO{sub 3} films on Nb:SrTiO{sub 3} (100) substrates by piezoresponse force microscopy. - Highlights: • Microwave assisted hydrothermal deposition of highly ordered BaTiO{sub 3} thin films on single crystal substrates. • Fast growth without the needof any mineralizers. • Moderate addition of H{sub 2}O{sub 2} significantly improves the surface coverage. • H{sub 2}O{sub 2} substantially reduces hydrogen incorporation into the film and the associated leakage current. • Out-of-plane polarization reversal demonstrated locally.

  19. Assessment of fragment projection hazard: probability distributions for the initial direction of fragments.

    Science.gov (United States)

    Tugnoli, Alessandro; Gubinelli, Gianfilippo; Landucci, Gabriele; Cozzani, Valerio

    2014-08-30

    The evaluation of the initial direction and velocity of the fragments generated in the fragmentation of a vessel due to internal pressure is an important information in the assessment of damage caused by fragments, in particular within the quantitative risk assessment (QRA) of chemical and process plants. In the present study an approach is proposed to the identification and validation of probability density functions (pdfs) for the initial direction of the fragments. A detailed review of a large number of past accidents provided the background information for the validation procedure. A specific method was developed for the validation of the proposed pdfs. Validated pdfs were obtained for both the vertical and horizontal angles of projection and for the initial velocity of the fragments. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. Polarization recovery through scattering media.

    Science.gov (United States)

    de Aguiar, Hilton B; Gigan, Sylvain; Brasselet, Sophie

    2017-09-01

    The control and use of light polarization in optical sciences and engineering are widespread. Despite remarkable developments in polarization-resolved imaging for life sciences, their transposition to strongly scattering media is currently not possible, because of the inherent depolarization effects arising from multiple scattering. We show an unprecedented phenomenon that opens new possibilities for polarization-resolved microscopy in strongly scattering media: polarization recovery via broadband wavefront shaping. We demonstrate focusing and recovery of the original injected polarization state without using any polarizing optics at the detection. To enable molecular-level structural imaging, an arbitrary rotation of the input polarization does not degrade the quality of the focus. We further exploit the robustness of polarization recovery for structural imaging of biological tissues through scattering media. We retrieve molecular-level organization information of collagen fibers by polarization-resolved second harmonic generation, a topic of wide interest for diagnosis in biomedical optics. Ultimately, the observation of this new phenomenon paves the way for extending current polarization-based methods to strongly scattering environments.

  1. Novel amide polar-embedded reversed-phase column for the fast liquid chromatography-tandem mass spectrometry method to determine polyether ionophores in environmental waters.

    Science.gov (United States)

    Herrero, P; Borrull, F; Pocurull, E; Marcé, R M

    2012-11-09

    A fast chromatographic method has been developed that takes less than 5 min per run to determine five polyether ionophores with a novel amide polar-embedded reversed-phase column coupled to a triple quadrupole mass spectrometer. A comparison between Oasis HLB and Oasis MAX sorbents for the solid-phase extraction was done. Oasis HLB sorbent gave recoveries close to 90% and the repeatability (%RSD, 25-100 ng/L, n=3) of the method was less than 7% for all compounds in all matrices. The presence of polyether ionophores in environmental waters such as river water and sewage was investigated. Monensin and narasin were frequently determined in influent and effluent sewage at concentrations from 10 ng/L to 47 ng/L in influents and from 6 ng/L to 34 ng/L in effluents. In river waters, polyether ionophores were not detected in any sample. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Study of ciclosporine blood levels in patients after kidney or bone-marrow transplantation. Comparison between the two methods, fluorescence polarization immunoassay and radioimmunoassay

    International Nuclear Information System (INIS)

    Sadeg, N.; Pham Huy, C.; Claude, J.R.; Postaire, M.; Lebrec, H.; Hamon, M.; Broyer, M.; Gagnadoux, M.F.; Fischer, A.

    1989-01-01

    The apparition of ciclosporine, immunodepressive drug, has largely improved the organ transplantations. However, the range of blood concentrations must be defined to allow the efficacity of ciclosporine therapy and to avoid toxic reactions, because there are very important variations for a same dosage according to the individuals and the diseases. Relative to the low concentrations to be determined (about one hundred ng/ml), the most useful methods for ciclosporine measurement are based on immunochemical assays. This work compares the two methods: radioimmunoassay (RIA) and fluorescence polarization immunoassay (FPIA) simultaneously performed on several hundred samples. A very significant correlation exists between the two techniques (r = 0.80). The advantages of immunofluorescent assay consists in rapidity, sensibility and facility to realize emergency analysis [fr

  3. Fragments of Time

    DEFF Research Database (Denmark)

    Christiansen, Steen Ledet

    Time travel films necessarily fragment linear narratives, as scenes are revisited with differences from the first time we saw it. Popular films such as Back to the Future mine comedy from these visitations, but there are many different approaches. One extreme is Chris Marker's La Jetée - a film...... made almost completely of still images, recounting the end of the world. These stills can be viewed as fragments that have survived the end of the world and now provide the only access to the events that occured. Shane Carruth's Primer has a different approach to time travel, the narrative diegesis...... that is presented; how do we understand such films and to what extent is it even possible to make sense of a film that has no real beginning, middle or end?...

  4. Evaluation of in vitro antioxidant potential of different polarities stem crude extracts by different extraction methods of Adenium obesum

    Directory of Open Access Journals (Sweden)

    Mohammad Amzad Hossain

    2014-09-01

    Full Text Available Objective: To select best extraction method for the isolated antioxidant compounds from the stems of Adenium obesum. Methods: Two methods used for the extraction are Soxhlet and maceration methods. Methanol solvent was used for both extraction method. The methanol crude extract was defatted with water and extracted successively with hexane, chloroform, ethyl acetate and butanol solvents. The antioxidant potential for all crude extracts were determined by using 1, 1-diphenyl-2- picrylhydrazyl method. Results: The percentage of extraction yield by Soxhlet method is higher compared to maceration method. The antioxidant potential for methanol and its derived fractions by Soxhlet extractor method was highest in ethyl acetate and lowest in hexane crude extracts and found in the order of ethyl acetate>butanol>water>chloroform>methanol>hexane. However, the antioxidant potential for methanol and its derived fractions by maceration method was highest in butanol and lowest in hexane followed in the order of butanol>methanol>chloroform>water>ethyl acetate>hexane. Conclusions: The results showed that isolate antioxidant compounds effected on the extraction method and condition of extraction.

  5. Fragmentation of atomic systems

    International Nuclear Information System (INIS)

    Bohn, J.L.; Fano, U.

    1996-01-01

    We report recent progress toward a nonperturbative formulation of many-body quantum dynamics that treats all constituent particles on an equal footing. This formulation is capable of detailing the evolution of a system toward the diverse fragments into which it can break up. We illustrate the general concept with the simple example of the simultaneous excitation of both electrons in a helium atom. copyright 1996 The American Physical Society

  6. Modelling the fragmentation mechanisms

    International Nuclear Information System (INIS)

    Bougault, R.; Durand, D.; Gulminelli, F.

    1998-01-01

    We have investigated the role of high amplitude collective motion in the nuclear fragmentation by using semi-classical macroscopic, as well as, microscopic simulations (BUU). These studies are motivated by the search of instabilities responsible for nuclear fragmentation. Two cases were examined: the bubble formation following the collective expansion of the compressed nucleus in case of very central reactions and, in the case of the semi-central collisions, the fast fission of the two partners issued from a binary reaction, in their corresponding Coulomb field. In the two cases the fragmentation channel is dominated by the inter-relation between the Coulomb and nuclear fields, and it is possible to obtain semi-quantitative predictions as functions of interaction parameters. The transport equations of BUU type predicts for central reactions formation of a high density transient state. Of much interest is the mechanism subsequent to de-excitation. It seems reasonable to conceive that the pressure stocked in the compressional mode manifests itself as a collective expansion of the system. As the pressure is a increasing function of the available energy one can conceive a variety of energy depending exit channels, starting from the fragmentation due the amplification of fluctuations interior to the spinodal zone up to the complete vaporization of the highly excited system. If the reached pressure is sufficiently high the reaction final state may preserve the memory of the entrance channel as a collective radial energy superimposed to the thermal disordered motion. Distributions of particles in the configuration space for both central and semi-central reactions for the Pb+Au system are presented. The rupture time is estimated to the order of 300 fm/c, and is strongly dependent on the initial temperature. The study of dependence of the rupture time on the interaction parameters is under way

  7. Hot nuclei and fragmentation

    International Nuclear Information System (INIS)

    Guerreau, D.

    1993-01-01

    A review is made of the present status concerning the production of nuclei above 5 MeV temperature. Considerable progress has been made recently on the understanding of the formation and the fate of such hot nuclei. It appears that the nucleus seems more stable against temperature than predicted by static calculations. However, the occurrence of multifragment production at high excitation energies is now well established. The various experimental features of the fragmentation process are discussed. (author) 59 refs., 12 figs

  8. Excited nuclei fragmentation

    International Nuclear Information System (INIS)

    Ngo, C.

    1986-11-01

    Experimental indications leading to the thought of a very excited nucleus fragmentation are resumed. Theoretical approaches are briefly described; they are used to explain the phenomenon in showing off they are based on a minimum information principle. This model is based on time dependent Thomas-Fermi calculation which allows the mean field effect description, and with a site-bound percolation model which allows the fluctuation description [fr

  9. Polarized proton collider at RHIC

    International Nuclear Information System (INIS)

    Alekseev, I.; Allgower, C.; Bai, M.; Batygin, Y.; Bozano, L.; Brown, K.; Bunce, G.; Cameron, P.; Courant, E.; Erin, S.; Escallier, J.; Fischer, W.; Gupta, R.; Hatanaka, K.; Huang, H.; Imai, K.; Ishihara, M.; Jain, A.; Lehrach, A.; Kanavets, V.; Katayama, T.; Kawaguchi, T.; Kelly, E.; Kurita, K.; Lee, S.Y.; Luccio, A.; MacKay, W.W.; Mahler, G.; Makdisi, Y.; Mariam, F.; McGahern, W.; Morgan, G.; Muratore, J.; Okamura, M.; Peggs, S.; Pilat, F.; Ptitsin, V.; Ratner, L.; Roser, T.; Saito, N.; Satoh, H.; Shatunov, Y.; Spinka, H.; Syphers, M.; Tepikian, S.; Tominaka, T.; Tsoupas, N.; Underwood, D.; Vasiliev, A.; Wanderer, P.; Willen, E.; Wu, H.; Yokosawa, A.; Zelenski, A.N.

    2003-01-01

    In addition to heavy ion collisions (RHIC Design Manual, Brookhaven National Laboratory), RHIC will also collide intense beams of polarized protons (I. Alekseev, et al., Design Manual Polarized Proton Collider at RHIC, Brookhaven National Laboratory, 1998, reaching transverse energies where the protons scatter as beams of polarized quarks and gluons. The study of high energy polarized protons beams has been a long term part of the program at BNL with the development of polarized beams in the Booster and AGS rings for fixed target experiments. We have extended this capability to the RHIC machine. In this paper we describe the design and methods for achieving collisions of both longitudinal and transverse polarized protons in RHIC at energies up to √s=500 GeV

  10. SCEDS: protein fragments for molecular replacement in Phaser

    Energy Technology Data Exchange (ETDEWEB)

    McCoy, Airlie J., E-mail: ajm201@cam.ac.uk [University of Cambridge, Hills Road, Cambridge CB2 0XY (United Kingdom); Nicholls, Robert A. [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom); Schneider, Thomas R. [Hamburg Unit c/o DESY, Notkestrasse 85, 22603 Hamburg (Germany); University of Cambridge, Hills Road, Cambridge CB2 0XY (United Kingdom)

    2013-11-01

    Protein fragments suitable for use in molecular replacement can be generated by normal-mode perturbation, analysis of the difference distance matrix of the original versus normal-mode perturbed structures, and SCEDS, a score that measures the sphericity, continuity, equality and density of the resulting fragments. A method is described for generating protein fragments suitable for use as molecular-replacement (MR) template models. The template model for a protein suspected to undergo a conformational change is perturbed along combinations of low-frequency normal modes of the elastic network model. The unperturbed structure is then compared with each perturbed structure in turn and the structurally invariant regions are identified by analysing the difference distance matrix. These fragments are scored with SCEDS, which is a combined measure of the sphericity of the fragments, the continuity of the fragments with respect to the polypeptide chain, the equality in number of atoms in the fragments and the density of C{sup α} atoms in the triaxial ellipsoid of the fragment extents. The fragment divisions with the highest SCEDS are then used as separate template models for MR. Test cases show that where the protein contains fragments that undergo a change in juxtaposition between template model and target, SCEDS can identify fragments that lead to a lower R factor after ten cycles of all-atom refinement with REFMAC5 than the original template structure. The method has been implemented in the software Phaser.

  11. SCEDS: protein fragments for molecular replacement in Phaser

    International Nuclear Information System (INIS)

    McCoy, Airlie J.; Nicholls, Robert A.; Schneider, Thomas R.

    2013-01-01

    Protein fragments suitable for use in molecular replacement can be generated by normal-mode perturbation, analysis of the difference distance matrix of the original versus normal-mode perturbed structures, and SCEDS, a score that measures the sphericity, continuity, equality and density of the resulting fragments. A method is described for generating protein fragments suitable for use as molecular-replacement (MR) template models. The template model for a protein suspected to undergo a conformational change is perturbed along combinations of low-frequency normal modes of the elastic network model. The unperturbed structure is then compared with each perturbed structure in turn and the structurally invariant regions are identified by analysing the difference distance matrix. These fragments are scored with SCEDS, which is a combined measure of the sphericity of the fragments, the continuity of the fragments with respect to the polypeptide chain, the equality in number of atoms in the fragments and the density of C α atoms in the triaxial ellipsoid of the fragment extents. The fragment divisions with the highest SCEDS are then used as separate template models for MR. Test cases show that where the protein contains fragments that undergo a change in juxtaposition between template model and target, SCEDS can identify fragments that lead to a lower R factor after ten cycles of all-atom refinement with REFMAC5 than the original template structure. The method has been implemented in the software Phaser

  12. Flashed-feed VMD configuration as a novel method for eliminating temperature polarization effect and enhancing water vapor flux

    KAUST Repository

    Alsaadi, Ahmad Salem

    2018-05-28

    The coupling of heat and mass transfer in membrane distillation (MD) process makes enhancing water vapor flux and determining MD membrane mass transfer coefficient (MTC) fairly challenging due to the development of temperature gradient near the membrane surface, referred to as temperature polarization (TP). As a result, the change in feed temperature at the membrane surface will be difficult to measure accurately. In this paper, the effect of TP was decoupled from the membrane MTC by preventing the liquid feed stream from contacting the membrane surface through the use of a novel custom-made vacuum MD (VMD) module design. Results showed that a temperature difference of 10°C between the feed bulk and feed temperatures at the membrane surface/interface is estimated to take place in the typical VMD configuration, while the proposed flashed-feed VMD configuration eliminates TP effect and gives a flux 3.5-fold higher (200kg/m2.hr) under similar operating conditions. Therefore, it can be concluded that heat transfer coefficient is considered to be the main factor controlling resistance of water vapor flux in the typical VMD configuration. The measured MTC of the tested commercial membrane was found to be more accurate and the highest among all reported MTCs in the MD literature (2.44×10−6kg/m2.s.Pa). Additionally, a transmembrane temperature difference of 5°C and 10°C in the novel configuration can produce water vapor fluxes of about 9kg/m2.hr and 40kg/m2.hr, respectively, at a feed temperature of 70°C, which is very attractive for scaling-up the process.

  13. Sources of polarized ions and atoms

    International Nuclear Information System (INIS)

    Cornelius, W.D.

    1988-01-01

    In this presentation we discuss methods of producing large quantities of polarized atoms and ions (Stern-Gerlach separation, optical pumping, and spin-exchange) as well as experimental methods of measuring the degree of polarization of atomic systems. The usefulness of polarized atoms in probing the microscopic magnetic surface properties of materials will also be discussed. 39 refs., 5 figs., 2 tabs

  14. Quantification and micron-scale imaging of spatial distribution of trace beryllium in shrapnel fragments and metallurgic samples with correlative fluorescence detection method and secondary ion mass spectrometry (SIMS)

    Science.gov (United States)

    Abraham, Jerrold L.; Chandra, Subhash; Agrawal, Anoop

    2014-01-01

    Recently, a report raised the possibility of shrapnel-induced chronic beryllium disease (CBD) from long-term exposure to the surface of retained aluminum shrapnel fragments in the body. Since the shrapnel fragments contained trace beryllium, methodological developments were needed for beryllium quantification and to study its spatial distribution in relation to other matrix elements, such as aluminum and iron, in metallurgic samples. In this work, we developed methodology for quantification of trace beryllium in samples of shrapnel fragments and other metallurgic sample-types with main matrix of aluminum (aluminum cans from soda, beer, carbonated water, and aluminum foil). Sample preparation procedures were developed for dissolving beryllium for its quantification with the fluorescence detection method for homogenized measurements. The spatial distribution of trace beryllium on the sample surface and in 3D was imaged with a dynamic secondary ion mass spectrometry (SIMS) instrument, CAMECA IMS 3f SIMS ion microscope. The beryllium content of shrapnel (~100 ppb) was the same as the trace quantities of beryllium found in aluminum cans. The beryllium content of aluminum foil (~25 ppb) was significantly lower than cans. SIMS imaging analysis revealed beryllium to be distributed in the form of low micron-sized particles and clusters distributed randomly in X-Y-and Z dimensions, and often in association with iron, in the main aluminum matrix of cans. These observations indicate a plausible formation of Be-Fe or Al-Be alloy in the matrix of cans. Further observations were made on fluids (carbonated water) for understanding if trace beryllium in cans leached out and contaminated the food product. A direct comparison of carbonated water in aluminum cans and plastic bottles revealed that beryllium was below the detection limits of the fluorescence detection method (~0.01 ppb). These observations indicate that beryllium present in aluminum matrix was either present in an

  15. Quantification and micron-scale imaging of spatial distribution of trace beryllium in shrapnel fragments and metallurgic samples with correlative fluorescence detection method and secondary ion mass spectrometry (SIMS).

    Science.gov (United States)

    Abraham, J L; Chandra, S; Agrawal, A

    2014-11-01

    Recently, a report raised the possibility of shrapnel-induced chronic beryllium disease from long-term exposure to the surface of retained aluminum shrapnel fragments in the body. Since the shrapnel fragments contained trace beryllium, methodological developments were needed for beryllium quantification and to study its spatial distribution in relation to other matrix elements, such as aluminum and iron, in metallurgic samples. In this work, we developed methodology for quantification of trace beryllium in samples of shrapnel fragments and other metallurgic sample-types with main matrix of aluminum (aluminum cans from soda, beer, carbonated water and aluminum foil). Sample preparation procedures were developed for dissolving beryllium for its quantification with the fluorescence detection method for homogenized measurements. The spatial distribution of trace beryllium on the sample surface and in 3D was imaged with a dynamic secondary ion mass spectrometry instrument, CAMECA IMS 3f secondary ion mass spectrometry ion microscope. The beryllium content of shrapnel (∼100 ppb) was the same as the trace quantities of beryllium found in aluminum cans. The beryllium content of aluminum foil (∼25 ppb) was significantly lower than cans. SIMS imaging analysis revealed beryllium to be distributed in the form of low micron-sized particles and clusters distributed randomly in X-Y- and Z dimensions, and often in association with iron, in the main aluminum matrix of cans. These observations indicate a plausible formation of Be-Fe or Al-Be alloy in the matrix of cans. Further observations were made on fluids (carbonated water) for understanding if trace beryllium in cans leached out and contaminated the food product. A direct comparison of carbonated water in aluminum cans and plastic bottles revealed that beryllium was below the detection limits of the fluorescence detection method (∼0.01 ppb). These observations indicate that beryllium present in aluminum matrix was either

  16. Dynamic polarization of radioactive nuclei

    International Nuclear Information System (INIS)

    Kiselev, Yu.F.; Lyuboshits, V.L.; )

    2001-01-01

    Radioactive nuclei, embedded into a frozen polarized proton target, atr proposed to polarize by means of some dynamic polarization methods. Angular distributions of γ-quanta emitted ny 22 Na(3 + ) in the cascade β-γ-radiation are calculated. It is shown that this distribution does not depend on the spin temperature sing at the Boltzmann distribution of populations among the Zeeman magnetic substates, whereas the tensor polarization of quadrupole nuclei, placed in the electric field of the crystal, causes the considerable sing dependence. The new method promises wide opportunities for the magnetic structure investigations as well as for the study of spin-spin interaction dynamics of rare nuclei in dielectrics. Physical-technical advantages and disadvantages of the given method are discussed for the polarization of heavy nuclei in the on-line implantation mode [ru

  17. TESLA-N electron scattering with polarized targets at TESLA

    International Nuclear Information System (INIS)

    Korotokov, V.

    2001-01-01

    Measurements of polarized eN scattering can be realized at the TESLA linear collider facility at DESY with luminosities that are about two orders of magnitude higher than those expected for other experiments at comparable energies. A large variety of polarized parton distribution and fragmentation functions can be determined with unprecedented accuracy, many of them for the first time

  18. Determination of the amounts of C, CH, CH/sub 2/ and CH/sub 3/ fragments by the spin echo method

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-01-01

    A new method is presented for the quantitative determination of primary, secondary, tertiary and quarternary carbon atoms in soluble coal products. The method is based on pulsed spin echo of /sup 13/C nuclear magnetic resonance.

  19. Imaging with Polarized Neutrons

    Directory of Open Access Journals (Sweden)

    Nikolay Kardjilov

    2018-01-01

    Full Text Available Owing to their zero charge, neutrons are able to pass through thick layers of matter (typically several centimeters while being sensitive to magnetic fields due to their intrinsic magnetic moment. Therefore, in addition to the conventional attenuation contrast image, the magnetic field inside and around a sample can be visualized by detecting changes of polarization in a transmitted beam. The method is based on the spatially resolved measurement of the cumulative precession angles of a collimated, polarized, monochromatic neutron beam that traverses a magnetic field or sample.

  20. Azimuthal Anisotropies in Nuclear Fragmentation

    International Nuclear Information System (INIS)

    Dabrowska, A.; Szarska, M.; Trzupek, A.; Wolter, W.; Wosiek, B.

    2002-01-01

    The directed and elliptic flow of fragments emitted from the excited projectile nuclei has been observed for 158 AGeV Pb collisions with the lead and plastic targets. For comparison the flow analysis has been performed for 10.6 AGeV Au collisions with the emulsion target. The strong directed flow of heaviest fragments is found. Light fragments exhibit directed flow opposite to that of heavy fragments. The elliptic flow for all multiply charged fragments is positive and increases with the charge of the fragment. The observed flow patterns in the fragmentation of the projectile nucleus are practically independent of the mass of the target nucleus and the collision energy. Emission of fragments in nuclear multifragmentation shows similar, although weaker, flow effects. (author)

  1. The method of local increments for the calculation of adsorption energies of atoms and small molecules on solid surfaces. Part I. A single Cu atom on the polar surfaces of ZnO.

    Science.gov (United States)

    Schmitt, Ilka; Fink, Karin; Staemmler, Volker

    2009-12-21

    The method of local increments is used in connection with the supermolecule approach and an embedded cluster model to calculate the adsorption energy of single Cu atoms at different adsorption sites at the polar surfaces of ZnO. Hartree-Fock calculations for the full system, adsorbed atom and solid surface, and for the fragments are the first step in this approach. In the present study, restricted open-shell Hartree-Fock (ROHF) calculations are performed since the Cu atom possesses a singly-occupied 4s orbital. The occupied Hartree-Fock orbitals are then localized by means of the Foster-Boys localization procedure. The correlation energies are expanded into a series of many-body increments which are evaluated separately and independently. In this way, the very time-consuming treatment of large systems is replaced with a series of much faster calculations for small subunits. In the present application, these subunits consist of the orbitals localized at the different atoms. Three adsorption situations with rather different bonding characteristics have been studied: a Cu atom atop a threefold-coordinated O atom of an embedded Zn(4)O(4) cluster, a Cu atom in an O vacancy site at the O-terminated ZnO(000-1) surface, and a Cu atom in a Zn vacancy site at the Zn-terminated ZnO(0001) surface. The following properties are analyzed in detail: convergence of the many-body expansion, contributions of the different n-body increments to the adsorption energy, treatment of the singly-occupied orbital as "localized" or "delocalized". Big savings in computer time can be achieved by this approach, particularly if only the localized orbitals in the individual increment under consideration are described by a large correlation adapted basis set, while all other orbitals are treated by a medium-size Hartree-Fock-type basis set. In this way, the method of local increments is a powerful alternative to the widely used methods like DFT or RI-MP2.

  2. Universality of projectile fragmentation model

    International Nuclear Information System (INIS)

    Chaudhuri, G.; Mallik, S.; Das Gupta, S.

    2012-01-01

    Presently projectile fragmentation reaction is an important area of research as it is used for the production of radioactive ion beams. In this work, the recently developed projectile fragmentation model with an universal temperature profile is used for studying the charge distributions of different projectile fragmentation reactions with different projectile target combinations at different incident energies. The model for projectile fragmentation consists of three stages: (i) abrasion, (ii) multifragmentation and (iii) evaporation

  3. A validated stability-indicating LC method for the separation of enantiomer and potential impurities of Linezolid using polar organic mode

    Directory of Open Access Journals (Sweden)

    T. Satyanarayana Raju

    2012-08-01

    Full Text Available Although a number of methods are available for evaluating Linezolid and its possible impurities, a common method for separation if its potential impurities, degradants and enantiomer in a single method with good efficiency remain unavailable. With the objective of developing an advanced method with shorter runtimes, a simple, precise, accurate stability-indicating LC method was developed for the determination of purity of Linezolid drug substance and drug products in bulk samples and pharmaceutical dosage forms in the presence of its impurities and degradation products. This method is capable of separating all the related substances of Linezolid along with the chiral impurity. This method can also be used for the estimation of assay of Linezolid in drug substance as well as in drug product. The method was developed using Chiralpak IA (250 mm×4.6 mm, 5 μm column. A mixture of acetonitrile, ethanol, n-butyl amine and trifluoro acetic acid in 96:4:0.10:0.16 (v/v/v/v ratio was used as a mobile phase. The eluted compounds were monitored at 254 nm. Linezolid was subjected to the stress conditions of oxidative, acid, base, hydrolytic, thermal and photolytic degradation. The degradation products were well resolved from main peak and its impurities, proving the stability-indicating power of the method. The developed method was validated as per International Conference on Harmonization (ICH guidelines with respect to specificity, limit of detection, limit of quantification, precision, linearity, accuracy, robustness and system suitability. Keywords: HPLC, Linezolid, Validation, Polar organic mode, Stability-indicating

  4. Heavy-quark fragmentation functions in the effective theory of heavy quarks

    International Nuclear Information System (INIS)

    Martynenko, A.P.; Saleev, V.A.

    1996-01-01

    The effective theory of heavy quarks is used to study b-bar-antiquark fragmentation in polarized Bc* mesons and b-quark fragmentation into P-wave (c-barb) states. The functions of heavy-quark fragmentation into longitudinally and transversely polarized S-wave (b-barc) states and into P-wave mesons containing b and c quarks are calculated. First-order corrections in 1/mb are taken into account exactly in these calculations. The results are shown to be consistent with the corresponding QCD calculations

  5. Virtual fragment preparation for computational fragment-based drug design.

    Science.gov (United States)

    Ludington, Jennifer L

    2015-01-01

    Fragment-based drug design (FBDD) has become an important component of the drug discovery process. The use of fragments can accelerate both the search for a hit molecule and the development of that hit into a lead molecule for clinical testing. In addition to experimental methodologies for FBDD such as NMR and X-ray Crystallography screens, computational techniques are playing an increasingly important role. The success of the computational simulations is due in large part to how the database of virtual fragments is prepared. In order to prepare the fragments appropriately it is necessary to understand how FBDD differs from other approaches and the issues inherent in building up molecules from smaller fragment pieces. The ultimate goal of these calculations is to link two or more simulated fragments into a molecule that has an experimental binding affinity consistent with the additive predicted binding affinities of the virtual fragments. Computationally predicting binding affinities is a complex process, with many opportunities for introducing error. Therefore, care should be taken with the fragment preparation procedure to avoid introducing additional inaccuracies.This chapter is focused on the preparation process used to create a virtual fragment database. Several key issues of fragment preparation which affect the accuracy of binding affinity predictions are discussed. The first issue is the selection of the two-dimensional atomic structure of the virtual fragment. Although the particular usage of the fragment can affect this choice (i.e., whether the fragment will be used for calibration, binding site characterization, hit identification, or lead optimization), general factors such as synthetic accessibility, size, and flexibility are major considerations in selecting the 2D structure. Other aspects of preparing the virtual fragments for simulation are the generation of three-dimensional conformations and the assignment of the associated atomic point charges.

  6. Polar Polygons

    Science.gov (United States)

    2005-01-01

    18 August 2005 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image shows dark-outlined polygons on a frost-covered surface in the south polar region of Mars. In summer, this surface would not be bright and the polygons would not have dark outlines--these are a product of the presence of seasonal frost. Location near: 77.2oS, 204.8oW Image width: width: 3 km (1.9 mi) Illumination from: upper left Season: Southern Spring

  7. An Archeology of Fragments

    Directory of Open Access Journals (Sweden)

    Gerald L. Bruns

    2014-10-01

    Full Text Available This is a short (fragmentary history of fragmentary writing from the German Romantics (F. W. Schlegel, Friedrich Hölderlin to modern and contemporary concrete or visual poetry. Such writing is (often deliberately a critique of the logic of subsumption that tries to assimilate whatever is singular and irreducible into totalities of various categorical or systematic sorts. Arguably, the fragment (parataxis is the distinctive feature of literary Modernism, which is a rejection, not of what precedes it, but of what Max Weber called “the rationalization of the world” (or Modernity whose aim is to keep everything, including all that is written, under surveillance and control.

  8. Improved description of the fragmentation of nuclear collective states

    International Nuclear Information System (INIS)

    Soloviev, V.G.

    1984-01-01

    A mathematical method is deveioped for a more accurate description of the fragmentation of one-phonon states forming giant resonances. The method consists in that the one-phonon states already fragmented are used in the two-phonon terms of wave functions. Strength functions are obtained for the exci excitation of collective charge-exchange states ano giant resonances in spherical nuclei

  9. Fragmentation processes in nuclear reactions

    International Nuclear Information System (INIS)

    Legrain, R.

    1984-08-01

    Projectile and nuclear fragmentation are defined and processes referred to are recalled. The two different aspects of fragmentation are considered but the emphasis is also put on heavy ion induced reactions. The preliminary results of an experiment performed at GANIL to study peripheral heavy ions induced reactions at intermediate energy are presented. The results of this experiment will illustrate the characteristics of projectile fragmentation and this will also give the opportunity to study projectile fragmentation in the transition region. Then nuclear fragmentation is considered which is associated with more central collisions in the case of heavy ion induced reactions. This aspect of fragmentation is also ilustrated with two heavy ion experiments in which fragments emitted at large angle have been observed

  10. Strategic Polarization.

    Science.gov (United States)

    Kalai, Adam; Kalai, Ehud

    2001-08-01

    In joint decision making, similarly minded people may take opposite positions. Consider the example of a marriage in which one spouse gives generously to charity while the other donates nothing. Such "polarization" may misrepresent what is, in actuality, a small discrepancy in preferences. It may be that the donating spouse would like to see 10% of their combined income go to charity each year, while the apparently frugal spouse would like to see 8% donated. A simple game-theoretic analysis suggests that the spouses will end up donating 10% and 0%, respectively. By generalizing this argument to a larger class of games, we provide strategic justification for polarization in many situations such as debates, shared living accommodations, and disciplining children. In some of these examples, an arbitrarily small disagreement in preferences leads to an arbitrarily large loss in utility for all participants. Such small disagreements may also destabilize what, from game-theoretic point of view, is a very stable equilibrium. Copyright 2001 Academic Press.

  11. Fragment informatics and computational fragment-based drug design: an overview and update.

    Science.gov (United States)

    Sheng, Chunquan; Zhang, Wannian

    2013-05-01

    Fragment-based drug design (FBDD) is a promising approach for the discovery and optimization of lead compounds. Despite its successes, FBDD also faces some internal limitations and challenges. FBDD requires a high quality of target protein and good solubility of fragments. Biophysical techniques for fragment screening necessitate expensive detection equipment and the strategies for evolving fragment hits to leads remain to be improved. Regardless, FBDD is necessary for investigating larger chemical space and can be applied to challenging biological targets. In this scenario, cheminformatics and computational chemistry can be used as alternative approaches that can significantly improve the efficiency and success rate of lead discovery and optimization. Cheminformatics and computational tools assist FBDD in a very flexible manner. Computational FBDD can be used independently or in parallel with experimental FBDD for efficiently generating and optimizing leads. Computational FBDD can also be integrated into each step of experimental FBDD and help to play a synergistic role by maximizing its performance. This review will provide critical analysis of the complementarity between computational and experimental FBDD and highlight recent advances in new algorithms and successful examples of their applications. In particular, fragment-based cheminformatics tools, high-throughput fragment docking, and fragment-based de novo drug design will provide the focus of this review. We will also discuss the advantages and limitations of different methods and the trends in new developments that should inspire future research. © 2012 Wiley Periodicals, Inc.

  12. Sex identification of polar bears from blood and tissue samples

    Science.gov (United States)

    Amstrup, Steven C.; Garner, G.W.; Cronin, M.A.; Patton, J.C.

    1993-01-01

    Polar bears (Ursus maritimus) can be adversely affected by hunting and other human perturbations because of low population densities and low reproduction rates. The sustainable take of adult females may be as low as 1.5% of the population. Females and accompanying young are most vulnerable to hunting, and hunters have not consistently reported the sex composition of the harvest, therefore a method to confirm the sexes of polar bears harvested in Alaska is needed. Evidence of the sex of harvested animals is often not available, but blood or other tissue samples often are. We extracted DNA from tissue and blood samples, and amplified segments of zinc finger (ZFX and ZFY) genes from both X and Y chromosomes with the polymerase chain reaction. Digestion of amplified portions of the X chromosome with the restriction enzyme HaeIII resulted in subdivision of the original amplified segment into four smaller fragments. Digestion with HaeIII did not subdivide the original segment amplified from the Y chromosome. The differing fragment sizes produced patterns in gel electrophoresis that distinguished samples from male and female bears 100% of the time. This technique is applicable to the investigation of many wildlife management and research questions.

  13. Fragmentation of random trees

    International Nuclear Information System (INIS)

    Kalay, Z; Ben-Naim, E

    2015-01-01

    We study fragmentation of a random recursive tree into a forest by repeated removal of nodes. The initial tree consists of N nodes and it is generated by sequential addition of nodes with each new node attaching to a randomly-selected existing node. As nodes are removed from the tree, one at a time, the tree dissolves into an ensemble of separate trees, namely, a forest. We study statistical properties of trees and nodes in this heterogeneous forest, and find that the fraction of remaining nodes m characterizes the system in the limit N→∞. We obtain analytically the size density ϕ s of trees of size s. The size density has power-law tail ϕ s ∼s −α with exponent α=1+(1/m). Therefore, the tail becomes steeper as further nodes are removed, and the fragmentation process is unusual in that exponent α increases continuously with time. We also extend our analysis to the case where nodes are added as well as removed, and obtain the asymptotic size density for growing trees. (paper)

  14. Photonic Crystal Polarizing and Non-Polarizing Beam Splitters

    International Nuclear Information System (INIS)

    Chun-Ying, Guan; Jin-Hui, Shi; Li-Boo, Yuan

    2008-01-01

    A polarizing beam splitter (PBS) and a non-polarizing beam splitter (NPBS) based on a photonic crystal (PC) directional coupler are demonstrated. The photonic crystal directional coupler consists of a hexagonal lattice of dielectric pillars in air and has a complete photonic band gap. The photonic band structure and the band gap map are calculated using the plane wave expansion (PWE) method. The splitting properties of the splitter are investigated numerically using the finite difference time domain (FDTD) method

  15. Back-echo method for determining the content of C, CH, CH/sub 2/ and CH/sub 3/ fragments

    Energy Technology Data Exchange (ETDEWEB)

    Polonov, V.M.; Kalabin, G.A.; Kushnarev, D.F.; Latyshev, V.P.

    1984-07-01

    Possibility was investigated of determining the content of quaternary, tertiary, secondary and primary carbon atoms in soluble products from coal. Cubed residues of medium resin oil from semicoking Cheremkhovskii coals, hydrogenation products from mixtures of medium oil and light dephenolized oil, and asphaltenes separated from the hydrogenation products of Berezovsk coals were used as samples. A new method of quantitative analysis based on the pulse sequence of the back echo from the nuclear magnetic resonance of /sup 13/C was used. The method can be applied in the analysis of light and heavy products from coal, petroleum, shales and complex mixtures of organic substances. The method is limited by a decrease in accuracy when the heteroatom content in the samples increases, causing deterioration in the quality of spectra separation. 13 references.

  16. Application of vertical electrical sounding combined with induced polarization method in ground water exploration; IP koka wo koryoshita hiteikoho suichoku tansa no chikasui chosa eno tekiyo

    Energy Technology Data Exchange (ETDEWEB)

    Kondo, M; Sakurada, H [Sumiko Consultants Co. Ltd., Tokyo (Japan); Suzuki, T [Hokkaido Development Bureau, Hokkaido Development Agency, Sapporo (Japan)

    1996-10-01

    For ground water exploration using vertical Schlumberger exploration method, measurement and analysis combined with induced polarization (IP) effect were conducted as trial. For the Schlumberger method, potential is measured at the center between potential electrodes during flow of dc current between current electrodes. In the case of vertical exploration, measurements are repeated with fixed potential electrodes by extending the distance between current electrodes. Ground water exploration was conducted using this method at Otaki village, Hokkaido. Geology of surveyed plateau consists of a basement of Pliocene tuffs and Quaternary Pleistocene sediments covering on the surface. For the results of analysis, four to seven beds were detected from the resistivity. The depth up to the lowest bed was between 25 and 85 m, the resistivity of each bed was between 9 and 8,000 ohm{times}m, and the polarizability was between 1 and 15 mV/V. Among these resistivity zones, it was judged that zones satisfying following three conditions correspond to coarse grain sediments saturated with ground water, and can be expected as aquifers; having resistivity ranging between 100 and 1,000 ohm{times}m, polarizability higher than 10 mV/V, and relatively large thickness. 11 refs., 6 figs.

  17. Microwave-gated dynamic nuclear polarization

    DEFF Research Database (Denmark)

    Bornet, Aurélien; Pinon, Arthur; Jhajharia, Aditya

    2016-01-01

    Dissolution dynamic nuclear polarization (D-DNP) has become a method of choice to enhance signals in nuclear magnetic resonance (NMR). Recently, we have proposed to combine cross-polarization (CP) with D-DNP to provide high polarization P((13)C) in short build-up times. In this paper, we show...

  18. Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology

    Science.gov (United States)

    Neumann, Lars; Ritscher, Allegra; Müller, Gerhard; Hafenbradl, Doris

    2009-08-01

    For the detection of the precise and unambiguous binding of fragments to a specific binding site on the target protein, we have developed a novel reporter displacement binding assay technology. The application of this technology for the fragment screening as well as the fragment evolution process with a specific modelling based design strategy is demonstrated for inhibitors of the protein kinase p38alpha. In a fragment screening approach seed fragments were identified which were then used to build compounds from the deep-pocket towards the hinge binding area of the protein kinase p38alpha based on a modelling approach. BIRB796 was used as a blueprint for the alignment of the fragments. The fragment evolution of these deep-pocket binding fragments towards the fully optimized inhibitor BIRB796 included the modulation of the residence time as well as the affinity. The goal of our study was to evaluate the robustness and efficiency of our novel fragment screening technology at high fragment concentrations, compare the screening data with biochemical activity data and to demonstrate the evolution of the hit fragments with fast kinetics, into slow kinetic inhibitors in an in silico approach.

  19. Toward metrological traceability for DNA fragment ratios in GM quantification. 1. Effect of DNA extraction methods on the quantitative determination of Bt176 corn by real-time PCR.

    Science.gov (United States)

    Corbisier, Philippe; Broothaerts, Wim; Gioria, Sabrina; Schimmel, Heinz; Burns, Malcolm; Baoutina, Anna; Emslie, Kerry R; Furui, Satoshi; Kurosawa, Yasunori; Holden, Marcia J; Kim, Hyong-Ha; Lee, Yun-Mi; Kawaharasaki, Mamoru; Sin, Della; Wang, Jing

    2007-05-02

    An international CCQM-P60 pilot study involving eight national metrological institutes was organized to investigate if the quantification of genetically modified (GM) corn powder by real-time PCR was affected by the DNA extraction method applied. Four commonly used extraction methods were compared for the extraction of DNA from a GM Bt176 corn powder. The CTAB-based method yielded the highest DNA template quantity and quality. A difference in the 260 nm/230 nm absorbance ratio was observed among the different extraction methods. Real-time amplification of sequences specific for endogenous genes zein and hmg as well as transgenic sequences within the cryIA(b) gene and a fragment covering the junction between the transformed DNA and the plant genome were used to determine the GM percentage. The detection of the transgenic gene was affected by the quantity and quality of template used for the PCR reaction. The Bt176 percentages measured on diluted or purified templates were statistically different depending on the extraction method applied.

  20. Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.

    Science.gov (United States)

    Woods, Lucy A; Dolezal, Olan; Ren, Bin; Ryan, John H; Peat, Thomas S; Poulsen, Sally-Ann

    2016-03-10

    Fragment-based drug discovery (FBDD) is contingent on the development of analytical methods to identify weak protein-fragment noncovalent interactions. Herein we have combined an underutilized fragment screening method, native state mass spectrometry, together with two proven and popular fragment screening methods, surface plasmon resonance and X-ray crystallography, in a fragment screening campaign against human carbonic anhydrase II (CA II). In an initial fragment screen against a 720-member fragment library (the "CSIRO Fragment Library") seven CA II binding fragments, including a selection of nonclassical CA II binding chemotypes, were identified. A further 70 compounds that comprised the initial hit chemotypes were subsequently sourced from the full CSIRO compound collection and screened. The fragment results were extremely well correlated across the three methods. Our findings demonstrate that there is a tremendous opportunity to apply native state mass spectrometry as a complementary fragment screening method to accelerate drug discovery.

  1. Polar crane

    International Nuclear Information System (INIS)

    Makosinski, S.

    1981-01-01

    In many applications polar cranes have to be repeatedly positioned with high accuracy. A guidance system is disclosed which has two pairs of guides. Each guide consists of two rollers carried by a sheave rotatable mounted on the crane bridge, the rollers being locatable one on each side of a guideway, e.g. the circular track on which the bridge runs. The pairs of guides are interconnected by respective rope loops which pass around and are locked to the respective pairs of sheaves in such a manner that movement of one guide results in equal movement of the other guide in a sense to maintain the repeatability of positioning of the centre of the bridge. A hydraulically-linked guide system is also described. (author)

  2. Generalized Expression for Polarization Density

    International Nuclear Information System (INIS)

    Wang, Lu; Hahm, T.S.

    2009-01-01

    A general polarization density which consists of classical and neoclassical parts is systematically derived via modern gyrokinetics and bounce-kinetics by employing a phase-space Lagrangian Lie-transform perturbation method. The origins of polarization density are further elucidated. Extending the work on neoclassical polarization for long wavelength compared to ion banana width [M. N. Rosenbluth and F. L. Hinton, Phys. Rev. Lett. 80, 724 (1998)], an analytical formula for the generalized neoclassical polarization including both finite-banana-width (FBW) and finite-Larmor-radius (FLR) effects for arbitrary radial wavelength in comparison to banana width and gyroradius is derived. In additional to the contribution from trapped particles, the contribution of passing particles to the neoclassical polarization is also explicitly calculated. Our analytic expression agrees very well with the previous numerical results for a wide range of radial wavelength.

  3. Prediction of non-polar gas solubilities in water, alcohols and aqueous alcohol solutions by the modified ASOG method

    Energy Technology Data Exchange (ETDEWEB)

    Tochigi, K.; Kojima, K.

    1982-07-01

    This study evaluated a technique for predicting gas solubilities based on a modified ASOG group-contribution method, considering water, alcohols, and aqueous alcohol solutions as the solvents. The nonpolar gaseous solutes considered were oxygen, nitrogen, hydrogen, carbon dioxide, argon, methane, ethane, ethylene, propane, and butane. Gas solubilities were correlated and predicted for a partial gas pressure of 1 atm and a temperature range of 50/sup 0/-100/sup 0/F (10/sup 0/-40/sup 0/C) in pure solvents, and then predicted for the same pressure and temperature range in mixed solvents using only the solubility data for the pure solvents. The deviations between the observed and predicted solubilities averaged 6.0% in pure systems and 10.2% in mixed solvents.

  4. Research on generating various polarization-modes in polarized illumination system

    Science.gov (United States)

    Huang, Jinping; Lin, Wumei; Fan, Zhenjie

    2013-08-01

    With the increase of the numerical aperture (NA), the polarization of light affects the imaging quality of projection lens more significantly. On the contrary, according to the mask pattern, the resolution of projection lens can be improved by using the polarized illumination. That is to say, using the corresponding polarized beam (or polarization-mode) along with the off-axis illumination will improve the resolution and the imaging quality of the of projection lens. Therefore, the research on the generation of various polarization modes and its conversion methods become more and more important. In order to realize various polarization modes in polarized illumination system, after read a lot of references, we provide a way that fitting for the illumination system with the wavelength of 193nm.Six polarization-modes and a depolarized mode are probably considered. Wave-plate stack is used to generate linearly polarization-mode, which have a higher degree polarization. In order to generate X-Y and Y-X polarization mode, the equipment consisting of four sectors of λ/2 wave plate was used. We combined 16 sectors of λ/2 wave plate which have different orientations of the "slow" axis to generate radial and azimuthal polarization. Finally, a multi-polarization control device was designed. Using the kind of multi-polarization control device which applying this method could help to choose the polarization modes conveniently and flexibility for the illumination system.

  5. Dynamics and instabilities in nuclear fragmentation

    International Nuclear Information System (INIS)

    Colonna, M.; Guarnera, A.; Di Toro, M.; Latora, V.; Smerzi, A.; Catania Univ.

    1993-01-01

    A general procedure to identify instability regions which lead to multifragmentation events is presented. The method covers all possible sources of dynamical instabilities. Informations on the instability point, like the time when the nuclear system enters the critical region, the most unstable modes and the time constant of the exponential growing of the relative variances, are deduced without any numerical bias. Important memory effects in the fragmentation pattern are revealed. Some hints towards a fully dynamical picture of fragmentation processes are finally suggested. (author) 7 refs., 3 figs

  6. Simulations of High Speed Fragment Trajectories

    Science.gov (United States)

    Yeh, Peter; Attaway, Stephen; Arunajatesan, Srinivasan; Fisher, Travis

    2017-11-01

    Flying shrapnel from an explosion are capable of traveling at supersonic speeds and distances much farther than expected due to aerodynamic interactions. Predicting the trajectories and stable tumbling modes of arbitrary shaped fragments is a fundamental problem applicable to range safety calculations, damage assessment, and military technology. Traditional approaches rely on characterizing fragment flight using a single drag coefficient, which may be inaccurate for fragments with large aspect ratios. In our work we develop a procedure to simulate trajectories of arbitrary shaped fragments with higher fidelity using high performance computing. We employ a two-step approach in which the force and moment coefficients are first computed as a function of orientation using compressible computational fluid dynamics. The force and moment data are then input into a six-degree-of-freedom rigid body dynamics solver to integrate trajectories in time. Results of these high fidelity simulations allow us to further understand the flight dynamics and tumbling modes of a single fragment. Furthermore, we use these results to determine the validity and uncertainty of inexpensive methods such as the single drag coefficient model.

  7. Fragmented medial coronoid process

    International Nuclear Information System (INIS)

    Juhasz, Cs.; Juhasz, T.

    1997-01-01

    Fragmented medial coronoid process: (FCP) is often considered to be part of the osteochondrosis dissecans complex, but trauma and growth discrepancies between the radius and ulna are proposed as causes. There is little to clinically differentiate FCP, from osteochondrosis dissecans (OCD) of the elbow. Pain on, flexion-extension of the elbow and lateral rotation of the paw is a little more consistent in FCP. Radiographic examination of the elbow is important despite the, fact that radiographic signs of the FCP are often nonspecific. Excessive osteoarthrosis and superimposition of the radial head and coronoid process make identification of the FCP difficult. Craniocaudal, flexed mediolateral and 25 degree craniocaudal-lateromedial views are necessary for diagnosis. Osteophyte production is more dramatic with FCP than with OCD and suggests therefore the occurrence of OCP in many cases. Although the detached process may be seen on any view, the oblique projection offers the least obstructed view. Exposure of the joint is identical to that for OCD, that means a medial approach with osteotomy of the epicondyle. In most cases the process is loose enough to be readily apparent, but in some it is necessary to exert force on the process in order to find the cleavage plane. It is necessary to remove the osteophytes as well and to inspect and irrigate the joint carefully to remove cartilage fragments before closure. Confinement is advisable for 4 weeks before returning the dog to normal activity. The outlook for function is good if the FCP is removed before secondary degenerative joint disease is well established

  8. Optical neutron polarizers

    International Nuclear Information System (INIS)

    Hayter, J.B.

    1990-01-01

    A neutron wave will be refracted by an appropriately varying potential. Optical neutron polarizers use spatially varying, spin- dependent potentials to refract neutrons of opposite spin states into different directions, so that an unpolarized beam will be split into two beams of complementary polarization by such a device. This paper will concentrate on two methods of producing spin-dependent potentials which are particularly well-suited to polarizing cold neutron beams, namely thin-film structures and field-gradient techniques. Thin-film optical devices, such as supermirror multilayer structures, are usually designed to deviate only one spin-state, so that they offer the possibility of making insertion (transmission) polarizers. Very good supermirrors may now be designed and fabricated, but it is not always straightforward to design mirror-based devices which are useful in real (divergent beam) applications, and some practical configurations will be discussed. Field-gradient devices, which are usually based on multipolar magnets, have tended to be too expensive for general use, but this may change with new developments in superconductivity. Dipolar and hexapolar configurations will be considered, with emphasis on the focusing characteristics of the latter. 21 refs., 7 figs

  9. Critical Features of Fragment Libraries for Protein Structure Prediction.

    Science.gov (United States)

    Trevizani, Raphael; Custódio, Fábio Lima; Dos Santos, Karina Baptista; Dardenne, Laurent Emmanuel

    2017-01-01

    The use of fragment libraries is a popular approach among protein structure prediction methods and has proven to substantially improve the quality of predicted structures. However, some vital aspects of a fragment library that influence the accuracy of modeling a native structure remain to be determined. This study investigates some of these features. Particularly, we analyze the effect of using secondary structure prediction guiding fragments selection, different fragments sizes and the effect of structural clustering of fragments within libraries. To have a clearer view of how these factors affect protein structure prediction, we isolated the process of model building by fragment assembly from some common limitations associated with prediction methods, e.g., imprecise energy functions and optimization algorithms, by employing an exact structure-based objective function under a greedy algorithm. Our results indicate that shorter fragments reproduce the native structure more accurately than the longer. Libraries composed of multiple fragment lengths generate even better structures, where longer fragments show to be more useful at the beginning of the simulations. The use of many different fragment sizes shows little improvement when compared to predictions carried out with libraries that comprise only three different fragment sizes. Models obtained from libraries built using only sequence similarity are, on average, better than those built with a secondary structure prediction bias. However, we found that the use of secondary structure prediction allows greater reduction of the search space, which is invaluable for prediction methods. The results of this study can be critical guidelines for the use of fragment libraries in protein structure prediction.

  10. Experiences in fragment-based drug discovery.

    Science.gov (United States)

    Murray, Christopher W; Verdonk, Marcel L; Rees, David C

    2012-05-01

    Fragment-based drug discovery (FBDD) has become established in both industry and academia as an alternative approach to high-throughput screening for the generation of chemical leads for drug targets. In FBDD, specialised detection methods are used to identify small chemical compounds (fragments) that bind to the drug target, and structural biology is usually employed to establish their binding mode and to facilitate their optimisation. In this article, we present three recent and successful case histories in FBDD. We then re-examine the key concepts and challenges of FBDD with particular emphasis on recent literature and our own experience from a substantial number of FBDD applications. Our opinion is that careful application of FBDD is living up to its promise of delivering high quality leads with good physical properties and that in future many drug molecules will be derived from fragment-based approaches. Copyright © 2012 Elsevier Ltd. All rights reserved.

  11. Carbon nanotube fiber terahertz polarizer

    Energy Technology Data Exchange (ETDEWEB)

    Zubair, Ahmed [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Tsentalovich, Dmitri E.; Young, Colin C. [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Heimbeck, Martin S. [Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Everitt, Henry O. [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Charles M. Bowden Laboratory, Aviation & Missile Research, Development, and Engineering Center (AMRDEC), Redstone Arsenal, Alabama 35898 (United States); Pasquali, Matteo [Department of Chemical and Biomolecular Engineering, Rice University, Houston, Texas 77005 (United States); Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Kono, Junichiro, E-mail: kono@rice.edu [Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005 (United States); Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

    2016-04-04

    Conventional, commercially available terahertz (THz) polarizers are made of uniformly and precisely spaced metallic wires. They are fragile and expensive, with performance characteristics highly reliant on wire diameters and spacings. Here, we report a simple and highly error-tolerant method for fabricating a freestanding THz polarizer with nearly ideal performance, reliant on the intrinsically one-dimensional character of conduction electrons in well-aligned carbon nanotubes (CNTs). The polarizer was constructed on a mechanical frame over which we manually wound acid-doped CNT fibers with ultrahigh electrical conductivity. We demonstrated that the polarizer has an extinction ratio of ∼−30 dB with a low insertion loss (<0.5 dB) throughout a frequency range of 0.2–1.1 THz. In addition, we used a THz ellipsometer to measure the Müller matrix of the CNT-fiber polarizer and found comparable attenuation to a commercial metallic wire-grid polarizer. Furthermore, based on the classical theory of light transmission through an array of metallic wires, we demonstrated the most striking difference between the CNT-fiber and metallic wire-grid polarizers: the latter fails to work in the zero-spacing limit, where it acts as a simple mirror, while the former continues to work as an excellent polarizer even in that limit due to the one-dimensional conductivity of individual CNTs.

  12. Fractal statistics of brittle fragmentation

    Directory of Open Access Journals (Sweden)

    M. Davydova

    2013-04-01

    Full Text Available The study of fragmentation statistics of brittle materials that includes four types of experiments is presented. Data processing of the fragmentation of glass plates under quasi-static loading and the fragmentation of quartz cylindrical rods under dynamic loading shows that the size distribution of fragments (spatial quantity is fractal and can be described by a power law. The original experimental technique allows us to measure, apart from the spatial quantity, the temporal quantity - the size of time interval between the impulses of the light reflected from the newly created surfaces. The analysis of distributions of spatial (fragment size and temporal (time interval quantities provides evidence of obeying scaling laws, which suggests the possibility of self-organized criticality in fragmentation.

  13. Determining Polarities Of Distant Lightning Strokes

    Science.gov (United States)

    Blakeslee, Richard J.; Brook, Marx

    1990-01-01

    Method for determining polarities of lightning strokes more than 400 km away. Two features of signal from each stroke correlated. New method based on fact each stroke observed thus far for which polarity determined unambiguously, initial polarity of tail same as polarity of initial deflection before initial-deflection signal altered by propagation effects. Receiving station equipped with electric-field-change antenna coupled to charge amplifier having time constant of order of 1 to 10 seconds. Output of amplifier fed to signal-processing circuitry, which determines initial polarity of tail.

  14. A new method for the precise absolute calibration of polarization effects in spin-1/2-spin-0 scattering applied to p-. alpha. scattering at 25. 68 MeV and. theta. sub lab =117. 5 sup 0

    Energy Technology Data Exchange (ETDEWEB)

    Clajus, M.; Egun, P.; Grueebler, W.; Hautle, P.; Weber, A. (Eidgenoessische Technische Hochschule, Zurich (Switzerland). Inst. fuer Mittelenergiephysik); Schmelzbach, P.A. (Paul Scherrer Inst., Villigen (Switzerland)); Kretschmer, W.; Haller, M.; Prenzel, C.J.; Rauscher, A.; Schuster, W.; Weidmann, R. (Erlangen-Nuernberg Univ., Erlangen (Germany, F.R.). Physikalisches Inst.)

    1989-08-20

    A new general method for the precise calibration of beam polarization or analyzing power in spin-1/2-spin-0 elastic scattering has been developed. This absolute calibration method uses the double scattering technique in connection with modern polarized ion source technology. It is based on an incident beam with at least two different polarization states and its independent of beam energy and scattering angle. The application to p-{alpha} elastic scattering at 25.68 MeV and a lab. angle of 117.5{sup 0} is described. The result is a new determination of the analyzing power to an accuracy of better than 1%, i.e. A{sub y}=0.8119+-0.0076. Systematic errors are extensively discussed. (orig.).

  15. Fluctuations in the fragmentation process

    International Nuclear Information System (INIS)

    Botet, R.; Ploszajczak, M.

    1993-01-01

    Some general framework of sequential fragmentation is presented, as provided by the newly proposed Fragmentation - Inactivation - Binary model, and to study briefly its basic and universal features. This model includes as particular cases most of the previous kinetic fragmentation models. In particular it is discussed how one arrives in this framework to the critical behaviour, called the shattering transition. This model is then compared to recent data on gold multifragmentation at 600 MeV/nucl. (authors) 20 refs., 5 figs

  16. MRI of displaced meniscal fragments

    International Nuclear Information System (INIS)

    Dunoski, Brian; Zbojniewicz, Andrew M.; Laor, Tal

    2012-01-01

    A torn meniscus frequently requires surgical fixation or debridement as definitive treatment. Meniscal tears with associated fragment displacement, such as bucket handle and flap tears, can be difficult to recognize and accurately describe on MRI, and displaced fragments can be challenging to identify at surgery. A displaced meniscal fragment can be obscured by synovium or be in a location not usually evaluated at arthroscopy. We present a pictorial essay of meniscal tears with displaced fragments in patients referred to a pediatric hospital in order to increase recognition and accurate interpretation by the radiologist, who in turn can help assist the surgeon in planning appropriate therapy. (orig.)

  17. MRI of displaced meniscal fragments

    Energy Technology Data Exchange (ETDEWEB)

    Dunoski, Brian [University of Cincinnati College of Medicine, Department of Radiology, Cincinnati Children' s Hospital Medical Center, Cincinnati, OH (United States); Children' s Hospital of Michigan, Department of Radiology, Detroit, MI (United States); Zbojniewicz, Andrew M.; Laor, Tal [University of Cincinnati College of Medicine, Department of Radiology, Cincinnati Children' s Hospital Medical Center, Cincinnati, OH (United States)

    2012-01-15

    A torn meniscus frequently requires surgical fixation or debridement as definitive treatment. Meniscal tears with associated fragment displacement, such as bucket handle and flap tears, can be difficult to recognize and accurately describe on MRI, and displaced fragments can be challenging to identify at surgery. A displaced meniscal fragment can be obscured by synovium or be in a location not usually evaluated at arthroscopy. We present a pictorial essay of meniscal tears with displaced fragments in patients referred to a pediatric hospital in order to increase recognition and accurate interpretation by the radiologist, who in turn can help assist the surgeon in planning appropriate therapy. (orig.)

  18. Development of an enantioseparation method for novel psychoactive drugs by HPLC using a Lux® Cellulose-2 column in polar organic phase mode.

    Science.gov (United States)

    Taschwer, Magdalena; Grascher, Jörg; Schmid, Martin G

    2017-01-01

    Since the last decade, the hype of the recreational use of novel psychoactive drugs is still on its top in entire Europe. Every year, new derivatives enter the drug market and enlarge the broad spectrum of misused drugs. Many of these compounds contain a stereogenic centre and therefore two enantiomers exist. It is obvious that the pharmacological potency of the isomers differ as it is already known from various pharmaceutical ingredients. Therefore, the development of analytical methods for the chiral separation of new psychoactive substances is of great medical and forensic interest. The aim of this study was to establish an enantioseparation method, which is applicable at equal conditions for different drug compound classes including cathinones, amphetamines, benzofurans, thiophenes, phenidine and phenidate derivatives. A commercially available Lux ® Cellulose-2 column consisting of cellulose tris(3-chloro-4-methylphenylcarbamate) coated on silica gel was found to be appropriate for the chiral separation of the mentioned drug classes. Experiments were performed under isocratic conditions in polar organic phase mode using UV-detection. With a mobile phase consisting of acetonitrile:isopropanol:diethylamine:formic acid (100%) (95:5:0.1:0.1) 40 out of 43 psychoactive compounds were successfully baseline or partially separated. 3-Fluoroamphetamine, 4-fluoroamphetamine and 1-(benzofuran-6-yl)-N-ethylpropan-2-amine were not chirally separated. The established method enabled enantioseparation of a broad spectrum of different psychoactive compounds under equal conditions. Forty of forty-three compounds were separated in their enantiomers, thus this method has a wide applicability for the enantioseparation of novel psychoactive drugs. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  19. Polar stratospheric cloud observations by MIPAS on ENVISAT: detection method, validation and analysis of the northern hemisphere winter 2002/2003

    Directory of Open Access Journals (Sweden)

    R. Spang

    2005-01-01

    Full Text Available The Michelson Interferometer for Passive Atmospheric Sounding (MIPAS on ENVISAT has made extensive measurements of polar stratospheric clouds (PSCs in the northern hemisphere winter 2002/2003. A PSC detection method based on a ratio of radiances (the cloud index has been implemented for MIPAS and is validated in this study with respect to ground-based lidar and space borne occultation measurements. A very good correspondence in PSC sighting and cloud altitude between MIPAS detections and those of other instruments is found for cloud index values of less than four. Comparisons with data from the Stratospheric Aerosol and Gas Experiment (SAGE III are used to further show that the sensitivity of the MIPAS detection method for this threshold value of cloud index is approximately equivalent to an extinction limit of 10-3km-1 at 1022nm, a wavelength used by solar occultation experiments. The MIPAS cloud index data are subsequently used to examine, for the first time with any technique, the evolution of PSCs throughout the Arctic polar vortex up to a latitude close to 90° north on a near-daily basis. We find that the winter of 2002/2003 is characterised by three phases of very different PSC activity. First, an unusual, extremely cold phase in the first three weeks of December resulted in high PSC occurrence rates. This was followed by a second phase of only moderate PSC activity from 5-13 January, separated from the first phase by a minor warming event. Finally there was a third phase from February to the end of March where only sporadic and mostly weak PSC events took place. The composition of PSCs during the winter period has also been examined, exploiting in particular an infra-red spectral signature which is probably characteristic of NAT. The MIPAS observations show the presence of these particles on a number of occasions in December but very rarely in January. The PSC type differentiation from MIPAS indicates that future comparisons of PSC

  20. Production of a phage-displayed single chain variable fragment ...

    African Journals Online (AJOL)

    Purpose: To develop specific single chain variable fragments (scFv) against infectious bursal disease virus (IBDV) via phage display technology. Methods: Purified viruses were initially applied for iterative panning rounds of scFv phage display libraries. The binding ability of the selected scFv antibody fragments against the ...

  1. Cloning and expression of cell wall acid invertase gene fragment ...

    African Journals Online (AJOL)

    A fragment of invertase gene containing catalytic sites of cysteine was cloned from poinsettia (Euphorbia pulcherrima wild.) by using the polymerase chain reaction (PCR) method. The length of the fragment was 521 bp, encoding 173 amino acids and containing a part of open reading frames, but no intron. It had a high ...

  2. Prompt neutrons from {sup 236}U fission fragments

    Energy Technology Data Exchange (ETDEWEB)

    Boldeman, J W; Musgrove, A.R. de L.; Walsch, R L

    1971-03-01

    Measurements were made of prompt neutron emission in the thermal neutron fission of {sup 235}U. The mean neutron emission per fragment was obtained for particular values of the fragment mass and total kinetic energy. A direct neutron counting method was employed and a comparison made with data from previous experiments of this type. (author)

  3. PEPSI — a Monte Carlo generator for polarized leptoproduction

    Science.gov (United States)

    Mankiewicz, L.; Schäfer, A.; Veltri, M.

    1992-09-01

    We describe PEPSI (Polarized Electron Proton Scattering Interactions), a Monte Carlo program for polarized deep inelastic leptoproduction mediated by electromagnetic interaction, and explain how to use it. The code is a modification of the LEPTO 4.3 Lund Monte Carlo for unpolarized scattering. The hard virtual gamma-parton scattering is generated according to the polarization-dependent QCD cross-section of the first order in α S. PEPSI requires the standard polarization-independent JETSET routines to simulate the fragmentation into final hadrons.

  4. PEPSI - a Monte Carlo generator for polarized leptoproduction

    International Nuclear Information System (INIS)

    Mankiewicz, L.

    1992-01-01

    We describe PEPSI (Polarized Electron Proton Scattering Interactions) a Monte Carlo program for polarized deep inelastic leptoproduction mediated by electromagnetic interaction, and explain how to use it. The code is a modification of the Lepto 4.3 Lund Monte Carlo for unpolarized scattering. The hard virtual gamma-parton scattering is generated according to the polarization-dependent QCD cross-section of the first order in α S . PEPSI requires the standard polarization-independent JETSET routines to simulate the fragmentation into final hadrons. (orig.)

  5. Thermodynamical string fragmentation

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Nadine [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden); School of Physics and Astronomy, Monash University,Wellington Road, Clayton, VIC-3800 (Australia); Sjöstrand, Torbjörn [Theoretical Particle Physics, Department of Astronomy and Theoretical Physics, Lund University,Sölvegatan 14A, Lund, SE-223 62 (Sweden)

    2017-01-31

    The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.

  6. Nuclear polarization and neutrons

    International Nuclear Information System (INIS)

    Glaettli, H.

    1985-01-01

    Different possibilities for the use of polarized nuclei in thermal neutron scattering on condensed matter are reviewed. Highly polarized nuclei are the starting point for studying dipolar magnetic order. Systematic measurement of spin-dependent scattering lengths is possible on samples with polarized nuclei. Highly polarized hydrogen should help to unravel complicated structures in chemistry and biology. The use of polarized proton targets as an energy-independent neutron polarizer in the thermal and epithermal region should be considered afresh. (author)

  7. The method of covariant calculation of the amplitudes of processes with polarized spin 1/2 particles and its application to calculation of interference terms in cross sections of these processes

    International Nuclear Information System (INIS)

    Bondarev, A.L.

    1993-01-01

    The method of covariant calculation of the amplitudes of processes with polarized spin 1/2 particles is suggested. It can be used for calculation of interference terms in cross sections of these processes. As an illustration the expressions for the lowest order amplitudes of electron-electron scattering and for electron current with radiation of two bremsstrahlung photons in ultrarelativistic limit are presented

  8. Metagenome Fragment Classification Using -Mer Frequency Profiles

    Directory of Open Access Journals (Sweden)

    Gail Rosen

    2008-01-01

    Full Text Available A vast amount of microbial sequencing data is being generated through large-scale projects in ecology, agriculture, and human health. Efficient high-throughput methods are needed to analyze the mass amounts of metagenomic data, all DNA present in an environmental sample. A major obstacle in metagenomics is the inability to obtain accuracy using technology that yields short reads. We construct the unique -mer frequency profiles of 635 microbial genomes publicly available as of February 2008. These profiles are used to train a naive Bayes classifier (NBC that can be used to identify the genome of any fragment. We show that our method is comparable to BLAST for small 25 bp fragments but does not have the ambiguity of BLAST's tied top scores. We demonstrate that this approach is scalable to identify any fragment from hundreds of genomes. It also performs quite well at the strain, species, and genera levels and achieves strain resolution despite classifying ubiquitous genomic fragments (gene and nongene regions. Cross-validation analysis demonstrates that species-accuracy achieves 90% for highly-represented species containing an average of 8 strains. We demonstrate that such a tool can be used on the Sargasso Sea dataset, and our analysis shows that NBC can be further enhanced.

  9. Searching Fragment Spaces with feature trees.

    Science.gov (United States)

    Lessel, Uta; Wellenzohn, Bernd; Lilienthal, Markus; Claussen, Holger

    2009-02-01

    Virtual combinatorial chemistry easily produces billions of compounds, for which conventional virtual screening cannot be performed even with the fastest methods available. An efficient solution for such a scenario is the generation of Fragment Spaces, which encode huge numbers of virtual compounds by their fragments/reagents and rules of how to combine them. Similarity-based searches can be performed in such spaces without ever fully enumerating all virtual products. Here we describe the generation of a huge Fragment Space encoding about 5 * 10(11) compounds based on established in-house synthesis protocols for combinatorial libraries, i.e., we encode practically evaluated combinatorial chemistry protocols in a machine readable form, rendering them accessible to in silico search methods. We show how such searches in this Fragment Space can be integrated as a first step in an overall workflow. It reduces the extremely huge number of virtual products by several orders of magnitude so that the resulting list of molecules becomes more manageable for further more elaborated and time-consuming analysis steps. Results of a case study are presented and discussed, which lead to some general conclusions for an efficient expansion of the chemical space to be screened in pharmaceutical companies.

  10. Simultaneous in situ measurements of properties of particulates in rf silane plasmas using a polarization-sensitive laser-light-scattering method

    Science.gov (United States)

    Shiratani, Masaharu; Kawasaki, Hiroharu; Fukuzawa, Tsuyoshi; Yoshioka, Takashi; Ueda, Yoshio; Singh, Sanjay; Watanabe, Yukio

    1996-01-01

    A polarization-sensitive laser-light-scattering method is developed for simultaneous in situ measurements of properties (size, size dispersion, density, and refractive index) of particulates formed in processing plasmas. The developed system is applied to observe the growth processes of particulates in a range of their size larger than about 10 nm in rf silane plasmas. A size, a size dispersion (logarithm of a standard deviation of size), a density, and a refractive index of particulates in the plasmas are found to be 10-200 nm, about 0.1, 107-109 cm-3 and about 3-5i, respectively. The former three of such values agree fairly well with ones deduced from scanning electron microscopic (SEM) observation. These particulates grow through three phases of nucleation and initial growth, rapid growth, and growth saturation. Coexistence of two size groups of particulates with narrow size dispersions during and after the rapid growth phase verified by the SEM observation may be explained by a model taking into account coagulation between oppositely charged particulates.

  11. Polarization fatigue resistance of Ca-doped Pb(Zr0.52Ti0.48)O3 thin films prepared by the sol-gel method

    International Nuclear Information System (INIS)

    Wei, T.; Wang, Y.; Zhu, C.; Dong, X.W.; Xia, Y.D.; Zhu, J.S.; Liu, J.-M.

    2008-01-01

    The ferroelectric and polarization fatigue characteristics of Pb 1-x Ca x (Zr 0.52 Ti 0.48 )O 3 (PCZT) thin films prepared using the sol-gel method were studied. The Ca-doping slightly suppresses the ferroelectricity of Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) because of the quantum paraelectric behavior of CaTiO 3 . Compared with PZT thin films, the PCZT (x=0.2) thin films show enhanced fatigue resistance at room temperature, further emphasized by the almost fatigue-free behavior at 100 K. The temperature-dependent dc-conductivity suggests a decrease of the oxygen vacancy density by almost 20 times and a slightly declined activation energy U for oxygen vacancies, upon increasing of the Ca-doping content from 0.0 to 0.2. It is argued that the improved fatigue endurance is ascribed to the decreasing density of oxygen vacancies due to the Ca-doping, although the lowered activation energy of oxygen vacancies is unfavorable. (orig.)

  12. Quantum confined Stark effects of single dopant in polarized hemispherical quantum dot: Two-dimensional finite difference approach and Ritz-Hassé variation method

    Science.gov (United States)

    El Harouny, El Hassan; Nakra Mohajer, Soukaina; Ibral, Asmaa; El Khamkhami, Jamal; Assaid, El Mahdi

    2018-05-01

    Eigenvalues equation of hydrogen-like off-center single donor impurity confined in polarized homogeneous hemispherical quantum dot deposited on a wetting layer, capped by insulated matrix and submitted to external uniform electric field is solved in the framework of the effective mass approximation. An infinitely deep potential is used to describe effects of quantum confinement due to conduction band offsets at surfaces where quantum dot and surrounding materials meet. Single donor ground state total and binding energies in presence of electric field are determined via two-dimensional finite difference approach and Ritz-Hassé variation principle. For the latter method, attractive coulomb correlation between electron and ionized single donor is taken into account in the expression of trial wave function. It appears that off-center single dopant binding energy, spatial extension and radial probability density are strongly dependent on hemisphere radius and single dopant position inside quantum dot. Influence of a uniform electric field is also investigated. It shows that Stark effect appears even for very small size dots and that single dopant energy shift is more significant when the single donor is near hemispherical surface.

  13. Polymer fragmentation in extensional flow

    Energy Technology Data Exchange (ETDEWEB)

    Maroja, Armando M.; Oliveira, Fernando A.; Ciesla, Michal; Longa, Lech

    2001-06-01

    In this paper we present an analysis of fragmentation of dilute polymer solutions in extensional flow. The transition rate is investigated both from theoretical and computational approaches, where the existence of a Gaussian distribution for the breaking bonds has been controversial. We give as well an explanation for the low fragmentation frequency found in DNA experiments.

  14. An Algebra for Program Fragments

    DEFF Research Database (Denmark)

    Kristensen, Bent Bruun; Madsen, Ole Lehrmann; Møller-Pedersen, Birger

    1985-01-01

    Program fragments are described either by strings in the concrete syntax or by constructor applications in the abstract syntax. By defining conversions between these forms, both may be intermixed. Program fragments are constructed by terminal and nonterminal symbols from the grammar and by variab...

  15. Fracture mechanics model of fragmentation

    International Nuclear Information System (INIS)

    Glenn, L.A.; Gommerstadt, B.Y.; Chudnovsky, A.

    1986-01-01

    A model of the fragmentation process is developed, based on the theory of linear elastic fracture mechanics, which predicts the average fragment size as a function of strain rate and material properties. This approach permits a unification of previous results, yielding Griffith's solution in the low-strain-rate limit and Grady's solution at high strain rates

  16. Preparation of a Non-Polar ZnO Film on a Single-Crystal NdGaO3 Substrate by the RF Sputtering Method

    Science.gov (United States)

    Kashiwaba, Y.; Tanaka, Y.; Sakuma, M.; Abe, T.; Imai, Y.; Kawasaki, K.; Nakagawa, A.; Niikura, I.; Kashiwaba, Y.; Osada, H.

    2018-04-01

    Preparation of non-polar ZnO ( 11\\overline{2} 0 ) films on single-crystal NdGaO3 (NGO) (001) substrates was successfully achieved by the radio frequency (RF) sputtering method. Orientation, deposition rate, and surface roughness of ZnO films strongly depend on the working pressure. Characteristics of ZnO films deposited on single-crystal NGO (001) substrates were compared with those of ZnO films deposited on single-crystal sapphire ( 01\\overline{1} 2 ) substrates. An x-ray diffraction peak of the ZnO ( 11\\overline{2} 0 ) plane was observed on ZnO films deposited on single-crystal NGO (001) substrates under working pressure of less than 0.5 Pa. On the other hand, uniaxially oriented ZnO ( 11\\overline{2} 0 ) films on single-crystal sapphire ( 01\\overline{1} 2 ) substrates were observed under working pressure of 0.1 Pa. The mechanism by which the diffraction angle of the ZnO ( 11\\overline{2} 0 ) plane on single-crystal NGO (001) substrates was shifted is discussed on the basis of anisotropic stress of lattice mismatch. The deposition rate of ZnO films decreased with an increase in working pressure, and the deposition rate on single-crystal NGO (001) substrates was larger than that on single-crystal sapphire ( 01\\overline{1} 2 ) substrates. Root mean square (RMS) roughness of ZnO films increased with an increase in working pressure, and RMS roughness of ZnO films on single-crystal NGO (001) substrates was smaller than that of ZnO films on single-crystal sapphire ( 01\\overline{1} 2 ) substrates even though the film thickness on single-crystal NGO (001) substrates was greater than that on sapphire substrates. It is thought that a single-crystal NGO (001) substrate is useful for deposition of non-polar ZnO ( 11\\overline{2} 0 ) films.

  17. Applications of polarized neutrons

    International Nuclear Information System (INIS)

    Mezei, F.

    1993-01-01

    The additional spin degree of freedom of the neutron can be made use of in neutron scattering work in two fundamental ways: (a) directly for the identification of magnetic scattering effects and (b) indirectly as a spectroscopic tool for modulating and analysing beams. Although strong magnetic scattering contributions can often be studied by unpolarized neutrons, a fully unambiguous separation of nuclear and magnetic phenomena can only be achieved by the additional information provided by polarized neutrons, especially if one of the two kinds of contributions is weak compared to the other. In the most general case a sample with both magnetic and nuclear features can be characterized by as many as 16 independent dynamic correlation functions instead of the single well known S(q, ω) for non-magnetic nuclear scattering only. Polarization analysis in principle allows one to determine all these 16 functions. The indirect applications of polarized neutrons are also steadily gaining importance. The most widely used method of this kind, the application of Larmor precessions for high resolution energy analysis in Neutron Spin Echo spectroscopy opened up a whole new domain in inelastic neutron scattering which was not accessible to any other spectroscopic method with or without neutrons before. (author)

  18. Mass spectrometry for fragment screening.

    Science.gov (United States)

    Chan, Daniel Shiu-Hin; Whitehouse, Andrew J; Coyne, Anthony G; Abell, Chris

    2017-11-08

    Fragment-based approaches in chemical biology and drug discovery have been widely adopted worldwide in both academia and industry. Fragment hits tend to interact weakly with their targets, necessitating the use of sensitive biophysical techniques to detect their binding. Common fragment screening techniques include differential scanning fluorimetry (DSF) and ligand-observed NMR. Validation and characterization of hits is usually performed using a combination of protein-observed NMR, isothermal titration calorimetry (ITC) and X-ray crystallography. In this context, MS is a relatively underutilized technique in fragment screening for drug discovery. MS-based techniques have the advantage of high sensitivity, low sample consumption and being label-free. This review highlights recent examples of the emerging use of MS-based techniques in fragment screening. © 2017 The Author(s). Published by Portland Press Limited on behalf of the Biochemical Society.

  19. Fission fragment spins and spectroscopy

    International Nuclear Information System (INIS)

    Durell, J.L.

    1988-01-01

    Prompt γ-ray coincidence experiments have been carried out on γ-rays emitted from post-neutron emission fission fragments produced by the aup 19F + 197 Au and 18 O + 232 Th reactions. Decay schemes have been established for even-even nuclei ranging from 78 Se to 148 Nd. Many new states with spin up to ∼ 12h have been observed. Apart from providing a wealth of new information on the spectroscopy of neutron-rich nuclei, the data have been analyzed to determine the average spin of primary fission fragments as a function of fragment mass. The results suggest that the fragment spins are determined by the temperature and shape of the primary fragments at or near to scission

  20. Fragment-based drug design.

    Science.gov (United States)

    Feyfant, Eric; Cross, Jason B; Paris, Kevin; Tsao, Désirée H H

    2011-01-01

    Fragment-based drug design (FBDD), which is comprised of both fragment screening and the use of fragment hits to design leads, began more than 15 years ago and has been steadily gaining in popularity and utility. Its origin lies on the fact that the coverage of chemical space and the binding efficiency of hits are directly related to the size of the compounds screened. Nevertheless, FBDD still faces challenges, among them developing fragment screening libraries that ensure optimal coverage of chemical space, physical properties and chemical tractability. Fragment screening also requires sensitive assays, often biophysical in nature, to detect weak binders. In this chapter we will introduce the technologies used to address these challenges and outline the experimental advantages that make FBDD one of the most popular new hit-to-lead process.

  1. The new polarizer devices at RESEDA

    International Nuclear Information System (INIS)

    Repper, J; Häußler, W; Ostermann, A; Kredler, L; Chacón, A; Böni, P

    2012-01-01

    In the neutron resonance spin echo method the information about sample dynamics is encoded in the neutron beam polarization measured in the analyzer-detector unit. Thus, the method is not applicable for sample systems and environments, which depolarize the neutron beam strongly. To over come this draw back a neutron analyzer directly before the sample position may be installed to perform MIEZE-I experiments. We compared the performance of a transmission polarizer and a solid-state bender at this position for the neutron resonance spin echo spectrometer RESEDA by Monte Carlo simulations. It turned out, that the polarization as well as the intensity transmitted to the sample position is more advantageous for the transmission polarizer as for the bender. In addition, we present measurements of the polarization and intensity performance of the transmission polarizer already installed at RESEDA to polarize the neutron beam coming from the reactor FRM II. The measurements are in good agreement with Monte Carlo simulations.

  2. Present and future isochronous mass spectrometry at GSI-FAIR. 25 new masses of fission fragments novel analysis method design of a new time-of-flight detector system

    Energy Technology Data Exchange (ETDEWEB)

    Diwisch, Marcel

    2015-07-01

    In this work the basic features of isochronous mass spectroscopy (IMS) for the present facilities at GSI and also for the future experiments at FAIR have been experimentally and theoretically investigated. The prospects and limitations of IMS have been carefully studied with calculations and experiments. The data of two different previous IMS experiments at GSI have been combined and analyzed with a novel correlation-matrix method (CMM). Both experiments were performed with the fragment separator FRS and the experimental ion storage ring ESR. In both experiments fission fragments, created by {sup 238}U projectiles in a beryllium target at the entrance of the FRS, were spatially separated and injected into the isochronous ESR. In the first experiment the full Bρ acceptance of the ESR was used whereas in the second one the Bρ of each fragment was defined by slits in the dispersive central focal plane of the FRS. In this way the magnetic rigidity was well-determined for all injected fragments to ΔBρ/Bρ=1.5.10{sup -4}. The harvest of this analysis is 25 new masses near and at the N=82 shell closure. The comparison of the experimental results with the AME extrapolation and different theoretical models reveal significant differences due to the low theoretical prediction power of the calculations in this mass range. In this respect one has to emphasize that due to the novel analysis method in this work these 25 new masses could be extracted additional to our previously already published results. It is almost needless to mention that the new mass values will contribute to improved r-process calculations which are in progress. In the present analysis the existing matrix method was extended with a variable scaling factor (s). The scaling factor was determined for each mass-to-charge ratio (m/q) of the measured ions and implemented as a function of m/q in the analysis. This has extended the accessible m/q range. The revolution time was determined via a 3rd-order fit of

  3. Present and future isochronous mass spectrometry at GSI-FAIR. 25 new masses of fission fragments novel analysis method design of a new time-of-flight detector system

    International Nuclear Information System (INIS)

    Diwisch, Marcel

    2015-01-01

    In this work the basic features of isochronous mass spectroscopy (IMS) for the present facilities at GSI and also for the future experiments at FAIR have been experimentally and theoretically investigated. The prospects and limitations of IMS have been carefully studied with calculations and experiments. The data of two different previous IMS experiments at GSI have been combined and analyzed with a novel correlation-matrix method (CMM). Both experiments were performed with the fragment separator FRS and the experimental ion storage ring ESR. In both experiments fission fragments, created by 238 U projectiles in a beryllium target at the entrance of the FRS, were spatially separated and injected into the isochronous ESR. In the first experiment the full Bρ acceptance of the ESR was used whereas in the second one the Bρ of each fragment was defined by slits in the dispersive central focal plane of the FRS. In this way the magnetic rigidity was well-determined for all injected fragments to ΔBρ/Bρ=1.5.10 -4 . The harvest of this analysis is 25 new masses near and at the N=82 shell closure. The comparison of the experimental results with the AME extrapolation and different theoretical models reveal significant differences due to the low theoretical prediction power of the calculations in this mass range. In this respect one has to emphasize that due to the novel analysis method in this work these 25 new masses could be extracted additional to our previously already published results. It is almost needless to mention that the new mass values will contribute to improved r-process calculations which are in progress. In the present analysis the existing matrix method was extended with a variable scaling factor (s). The scaling factor was determined for each mass-to-charge ratio (m/q) of the measured ions and implemented as a function of m/q in the analysis. This has extended the accessible m/q range. The revolution time was determined via a 3rd-order fit of the time

  4. Field and polarity dependence of time-to-resistance increase in Fe-O films studied by constant voltage stress method

    International Nuclear Information System (INIS)

    Eriguchi, Koji; Ohta, Hiroaki; Ono, Kouichi; Wei Zhiqiang; Takagi, Takeshi

    2009-01-01

    Constant voltage stress (CVS) was applied to Fe-O films prepared by a sputtering process to investigate a stress-induced resistance increase leading to a fundamental mechanism for switching behaviors. Under the CVS, an abrupt resistance increase was found for both stress polarities. A conduction mechanism after the resistance increase exhibited non-Ohmic transport. The time-to-resistance increase (t r ) under the CVS was revealed to strongly depend on stress voltage as well as the polarity. From a polarity-dependent resistance increase determined by a time-zero measurement, the voltage and polarity-dependent t r were discussed on the basis of field- and structure-enhanced thermochemical reaction mechanisms

  5. Absolute Geostrophic Velocity Inverted from the Polar Science Center Hydrographic Climatology (PHC3.0) of the Arctic Ocean with the P-Vector Method (NCEI Accession 0156425)

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The dataset (called PHC-V) comprises 3D gridded climatological fields of absolute geostrophic velocity of the Arctic Ocean inverted from the Polar science center...

  6. Field and polarity dependence of time-to-resistance increase in Fe–O films studied by constant voltage stress method

    OpenAIRE

    Eriguchi, Koji; Wei, Zhiqiang; Takagi, Takeshi; Ohta, Hiroaki; Ono, Kouichi

    2009-01-01

    Constant voltage stress (CVS) was applied to Fe–O films prepared by a sputtering process to investigate a stress-induced resistance increase leading to a fundamental mechanism for switching behaviors. Under the CVS, an abrupt resistance increase was found for both stress polarities. A conduction mechanism after the resistance increase exhibited non-Ohmic transport. The time-to-resistance increase (tr) under the CVS was revealed to strongly depend on stress voltage as well as the polarity. Fro...

  7. Neutron polarization in polarized 3He targets

    International Nuclear Information System (INIS)

    Friar, J.L.; Gibson, B.F.; Payne, G.L.; Bernstein, A.M.; Chupp, T.E.

    1990-01-01

    Simple formulas for the neutron and proton polarizations in polarized 3 He targets are derived assuming (1) quasielastic final states; (2) no final-state interactions; (3) no meson-exchange currents; (4) large momentum transfers; (5) factorizability of 3 He SU(4) response-function components. Numerical results from a wide variety of bound-state solutions of the Faddeev equations are presented. It is found that this simple model predicts the polarization of neutrons in a fully polarized 3 He target to be 87%, while protons should have a slight residual polarization of -2.7%. Numerical studies show that this model works very well for quasielastic electron scattering

  8. Nonlinear Gyrokinetic Theory With Polarization Drift

    International Nuclear Information System (INIS)

    Wang, L.; Hahm, T.S.

    2010-01-01

    A set of the electrostatic toroidal gyrokinetic Vlasov equation and the Poisson equation, which explicitly includes the polarization drift, is derived systematically by using Lie-transform method. The polarization drift is introduced in the gyrocenter equations of motion, and the corresponding polarization density is derived. Contrary to the wide-spread expectation, the inclusion of the polarization drift in the gyrocenter equations of motion does not affect the expression for the polarization density significantly. This is due to modification of the gyrocenter phase-space volume caused by the electrostatic potential [T. S. Hahm, Phys. Plasmas 3, 4658 (1996)].

  9. Circular polarization memory in single Quantum Dots

    International Nuclear Information System (INIS)

    Khatsevich, S.; Poem, E.; Benny, Y.; Marderfeld, I.; Gershoni, D.; Badolato, A.; Petroff, P. M.

    2010-01-01

    Under quasi-resonant circularly polarized optical excitation, charged quantum dots may emit polarized light. We measured various transitions with either positive, negative or no circular-polarization memory. We explain these observations and quantitatively calculate the polarization spectrum. Our model use the full configuration-interaction method, including the electron-hole exchange interaction, for calculating the quantum dot's confined many-carrier states, along with one assumption regarding the spin relaxation of photoexcited carriers: Electrons maintain their initial spin polarization, while holes do not.

  10. Nuclear physics with polarized particles

    CERN Document Server

    Paetz gen Schieck, Hans

    2012-01-01

    The measurement of spin-polarization observables in reactions of nuclei and particles is of great utility and advantage when the effects of single-spin sub-states are to be investigated. Indeed, the unpolarized differential cross-section encompasses the averaging over the spin states of the particles, and thus loses details of the interaction process. This introductory text combines, in a single volume, course-based lecture notes on spin physics and on polarized-ion sources with the aim of providing a concise yet self-contained starting point for newcomers to the field, as well as for lecturers in search of suitable material for their courses and seminars. A significant part of the book is devoted to introducing the formal theory-a description of polarization and of nuclear reactions with polarized particles. The remainder of the text describes the physical basis of methods and devices necessary to perform experiments with polarized particles and to measure polarization and polarization effects in nuclear rea...

  11. Fragmentation cross sections outside the limiting-fragmentation regime

    CERN Document Server

    Sümmerer, K

    2003-01-01

    The empirical parametrization of fragmentation cross sections, EPAX, has been successfully applied to estimate fragment production cross sections in reactions of heavy ions at high incident energies. It is checked whether a similar parametrization can be found for proton-induced spallation around 1 GeV, the range of interest for ISOL-type RIB facilities. The validity of EPAX for medium-energy heavy-ion induced reactions is also checked. Only a few datasets are available, but in general EPAX predicts the cross sections rather well, except for fragments close to the projectile, where the experimental cross sections are found to be larger.

  12. Fragmentation functions approach in pQCD fragmentation phenomena

    International Nuclear Information System (INIS)

    Rolli, S.

    1996-07-01

    Next-to-leading order parton fragmentation functions into light mesons are presented. They have been extracted from real and simulated e + e - data and used to predict inclusive single particle distributions at different machines

  13. Modelling of the PELE fragmentation dynamics

    Science.gov (United States)

    Verreault, J.

    2014-05-01

    The Penetrator with Enhanced Lateral Effect (PELE) is a type of explosive-free projectile that undergoes radial fragmentation upon an impact with a target plate. This type of projectile is composed of a brittle cylindrical shell (the jacket) filled in its core with a material characterized with a large Poisson's ratio. Upon an impact with a target, the axial compression causes the filling to expand in the radial direction. However, due to the brittleness of the jacket material, very little radial deformation can occur which creates a radial stress between the two materials and a hoop stress in the jacket. Fragmentation of the jacket occurs if the hoop stress exceeds the material's ultimate stress. The PELE fragmentation dynamics is explored via Finite-Element Method (FEM) simulations using the Autodyn explicit dynamics hydrocode. The numerical results are compared with an analytical model based on wave interactions, as well as with the experimental investigation of Paulus and Schirm (1996). The comparison is based on the mechanical stress in the filling and the qualitative fragmentation of the jacket.

  14. Modelling of the PELE fragmentation dynamics

    International Nuclear Information System (INIS)

    Verreault, J

    2014-01-01

    The Penetrator with Enhanced Lateral Effect (PELE) is a type of explosive-free projectile that undergoes radial fragmentation upon an impact with a target plate. This type of projectile is composed of a brittle cylindrical shell (the jacket) filled in its core with a material characterized with a large Poisson's ratio. Upon an impact with a target, the axial compression causes the filling to expand in the radial direction. However, due to the brittleness of the jacket material, very little radial deformation can occur which creates a radial stress between the two materials and a hoop stress in the jacket. Fragmentation of the jacket occurs if the hoop stress exceeds the material's ultimate stress. The PELE fragmentation dynamics is explored via Finite-Element Method (FEM) simulations using the Autodyn explicit dynamics hydrocode. The numerical results are compared with an analytical model based on wave interactions, as well as with the experimental investigation of Paulus and Schirm (1996). The comparison is based on the mechanical stress in the filling and the qualitative fragmentation of the jacket.

  15. High-throughput fragment screening by affinity LC-MS.

    Science.gov (United States)

    Duong-Thi, Minh-Dao; Bergström, Maria; Fex, Tomas; Isaksson, Roland; Ohlson, Sten

    2013-02-01

    Fragment screening, an emerging approach for hit finding in drug discovery, has recently been proven effective by its first approved drug, vemurafenib, for cancer treatment. Techniques such as nuclear magnetic resonance, surface plasmon resonance, and isothemal titration calorimetry, with their own pros and cons, have been employed for screening fragment libraries. As an alternative approach, screening based on high-performance liquid chromatography separation has been developed. In this work, we present weak affinity LC/MS as a method to screen fragments under high-throughput conditions. Affinity-based capillary columns with immobilized thrombin were used to screen a collection of 590 compounds from a fragment library. The collection was divided into 11 mixtures (each containing 35 to 65 fragments) and screened by MS detection. The primary screening was performed in 3500 fragments per day). Thirty hits were defined, which subsequently entered a secondary screening using an active site-blocked thrombin column for confirmation of specificity. One hit showed selective binding to thrombin with an estimated dissociation constant (K (D)) in the 0.1 mM range. This study shows that affinity LC/MS is characterized by high throughput, ease of operation, and low consumption of target and fragments, and therefore it promises to be a valuable method for fragment screening.

  16. Identifying Interactions that Determine Fragment Binding at Protein Hotspots.

    Science.gov (United States)

    Radoux, Chris J; Olsson, Tjelvar S G; Pitt, Will R; Groom, Colin R; Blundell, Tom L

    2016-05-12

    Locating a ligand-binding site is an important first step in structure-guided drug discovery, but current methods do little to suggest which interactions within a pocket are the most important for binding. Here we illustrate a method that samples atomic hotspots with simple molecular probes to produce fragment hotspot maps. These maps specifically highlight fragment-binding sites and their corresponding pharmacophores. For ligand-bound structures, they provide an intuitive visual guide within the binding site, directing medicinal chemists where to grow the molecule and alerting them to suboptimal interactions within the original hit. The fragment hotspot map calculation is validated using experimental binding positions of 21 fragments and subsequent lead molecules. The ligands are found in high scoring areas of the fragment hotspot maps, with fragment atoms having a median percentage rank of 97%. Protein kinase B and pantothenate synthetase are examined in detail. In each case, the fragment hotspot maps are able to rationalize a Free-Wilson analysis of SAR data from a fragment-based drug design project.

  17. Processes of Integration and Fragmentation of Economic Space: The Structure of Settlement Systems

    Directory of Open Access Journals (Sweden)

    Alexander Pavlovich Goryunov

    2017-12-01

    Full Text Available This work presents a study of processes of integration and fragmentation caused by the polarization of economic space. Under integration in economic space the authors understand the formation of new and transformation of existing settlement systems, while fragmentation is the dissolution of settlement systems and their transformation into loosely connected settlement networks. The study focuses on the structure of settlement systems. Authors propose a new method for studying the structure of settlement systems, which combines the use of factor analysis, multidimensional scaling, and cluster analysis. The proposed method utilizes the maximum of available information about the social-economic status of settlements to reveal regularities in their spatial organization. The authors test the proposed method on 35 large cities of the Central and Volga federal districts of Russia, which comprise the spatial surroundings of Moscow. The authors find four groups of cities forming the core of the settlement system centered around Moscow, a group of four cities forming a buffer zone around that system, as well as four cities in the studied sample which do not participate in the settlement system

  18. A model for projectile fragmentation

    International Nuclear Information System (INIS)

    Chaudhuri, G; Mallik, S; Gupta, S Das

    2013-01-01

    A model for projectile fragmentation is developed whose origin can be traced back to the Bevalac era. The model positions itself between the phenomenological EPAX parametrization and transport models like 'Heavy Ion Phase Space Exploration' (HIPSE) model and antisymmetrised molecular dynamics (AMD) model. A very simple impact parameter dependence of input temperature is incorporated in the model which helps to analyze the more peripheral collisions. The model is applied to calculate the charge, isotopic distributions, average number of intermediate mass fragments and the average size of largest cluster at different Z bound of different projectile fragmentation reactions at different energies.

  19. Gamma Radiation from Fission Fragments

    International Nuclear Information System (INIS)

    Higbie, Jack

    1969-10-01

    The gamma radiation from the fragments of the thermal neutron fission of 235 U has been investigated, and the preliminary data are presented here with suggestions for further lines of research and some possible interpretations of the data. The data have direct bearing on the fission process and the mode of fragment de-excitation. The parameters measured are the radiation decay curve for the time interval (1 - 7) x 10 -10 sec after fission, the photon yield, the total gamma ray energy yield, and the average photon energy. The last three quantities are measured as a function of the fragment mass

  20. Gamma Radiation from Fission Fragments

    Energy Technology Data Exchange (ETDEWEB)

    Higbie, Jack

    1969-10-15

    The gamma radiation from the fragments of the thermal neutron fission of {sup 235}U has been investigated, and the preliminary data are presented here with suggestions for further lines of research and some possible interpretations of the data. The data have direct bearing on the fission process and the mode of fragment de-excitation. The parameters measured are the radiation decay curve for the time interval (1 - 7) x 10{sup -10} sec after fission, the photon yield, the total gamma ray energy yield, and the average photon energy. The last three quantities are measured as a function of the fragment mass.

  1. The spectroscopy of fission fragments

    Energy Technology Data Exchange (ETDEWEB)

    Phillips, W.R. [Department of Physics and Astronomy, University of Manchester, Manchester, M13 9PL (United Kingdom); Collaboration: La Direction des Sciences de la Matiere du CEA (FR); Le Fonds National de la Recherche Scientifique de Belgique (BE)

    1998-12-31

    High-resolution measurements on {gamma} rays from fission fragments have provided a rich source of information, unobtainable at the moment in any other way, on the spectroscopy of neutron-rich nuclei. In recent years important data have been obtained on the yrast- and near yrast-structure of neutron-rich fission fragments. We discuss the scope of measurements which can be made on prompt gamma rays from secondary fission fragments, the techniques used in the experiments and some results recently obtained. (author) 24 refs., 8 figs., 1 tab.

  2. The spectroscopy of fission fragments

    International Nuclear Information System (INIS)

    Phillips, W.R.

    1998-01-01

    High-resolution measurements on γ rays from fission fragments have provided a rich source of information, unobtainable at the moment in any other way, on the spectroscopy of neutron-rich nuclei. In recent years important data have been obtained on the yrast- and near yrast-structure of neutron-rich fission fragments. We discuss the scope of measurements which can be made on prompt gamma rays from secondary fission fragments, the techniques used in the experiments and some results recently obtained. (author)

  3. Polarized electron sources

    International Nuclear Information System (INIS)

    Prepost, R.

    1994-01-01

    The fundamentals of polarized electron sources are described with particular application to the Stanford Linear Accelerator Center. The SLAC polarized electron source is based on the principle of polarized photoemission from Gallium Arsenide. Recent developments using epitaxially grown, strained Gallium Arsenide cathodes have made it possible to obtain electron polarization significantly in excess of the conventional 50% polarization limit. The basic principles for Gallium and Arsenide polarized photoemitters are reviewed, and the extension of the basic technique to strained cathode structures is described. Results from laboratory measurements of strained photocathodes as well as operational results from the SLAC polarized source are presented

  4. Polarized electron sources

    Energy Technology Data Exchange (ETDEWEB)

    Prepost, R. [Univ. of Wisconsin, Madison, WI (United States)

    1994-12-01

    The fundamentals of polarized electron sources are described with particular application to the Stanford Linear Accelerator Center. The SLAC polarized electron source is based on the principle of polarized photoemission from Gallium Arsenide. Recent developments using epitaxially grown, strained Gallium Arsenide cathodes have made it possible to obtain electron polarization significantly in excess of the conventional 50% polarization limit. The basic principles for Gallium and Arsenide polarized photoemitters are reviewed, and the extension of the basic technique to strained cathode structures is described. Results from laboratory measurements of strained photocathodes as well as operational results from the SLAC polarized source are presented.

  5. Establishment of a Charge Reversal Derivatization Strategy to Improve the Ionization Efficiency of Limaprost and Investigation of the Fragmentation Patterns of Limaprost Derivatives Via Exclusive Neutral Loss and Survival Yield Method

    Science.gov (United States)

    Sun, Dong; Meng, Xiangjun; Ren, Tianming; Fawcett, John Paul; Wang, Hualu; Gu, Jingkai

    2018-04-01

    Sensitivity is generally an issue in bioassays of prostaglandins and their synthetic analogs due to their extremely low concentration in vivo. To improve the ionization efficiency of limaprost, an oral prostaglandin E1 (PGE1) synthetic analog, we investigated a charge reversal derivatization strategy in electrospray ionization mass spectrometry (ESI-MS). We established that the cholamine derivative exhibits much greater signal intensity in the positive-ion mode compared with limaprost in the negative ion mode. Collision-induced dissociation (CID) involved exclusive neutral mass loss and positive charge migration to form stable cationic product ions with the positive charge on the limaprost residue rather than on the modifying group. This has the effect of maintaining the efficiency and specificity of multiple reaction monitoring (MRM) and avoiding cross talk. CID fragmentation patterns of other limaprost derivatives allowed us to relate the dissociation tendency of different neutral leaving groups to an internal energy distribution scale based on the survival yield method. Knowledge of the energy involved in the production of stabilized positive ions will potentially assist the selection of suitable derivatization reagents for the analysis of a wide variety of lipid acids. [Figure not available: see fulltext.

  6. Oocytes Polar Body Detection for Automatic Enucleation

    Directory of Open Access Journals (Sweden)

    Di Chen

    2016-02-01

    Full Text Available Enucleation is a crucial step in cloning. In order to achieve automatic blind enucleation, we should detect the polar body of the oocyte automatically. The conventional polar body detection approaches have low success rate or low efficiency. We propose a polar body detection method based on machine learning in this paper. On one hand, the improved Histogram of Oriented Gradient (HOG algorithm is employed to extract features of polar body images, which will increase success rate. On the other hand, a position prediction method is put forward to narrow the search range of polar body, which will improve efficiency. Experiment results show that the success rate is 96% for various types of polar bodies. Furthermore, the method is applied to an enucleation experiment and improves the degree of automatic enucleation.

  7. Sources of linear polarized x-rays

    International Nuclear Information System (INIS)

    Aiginger, H.; Wobrauschek, P.

    1989-01-01

    Linear polarized X-rays are used in X-ray fluorescence analysis to decrease the background caused by scattered photons. Various experiments, calculations and constructions have demonstrated the possibility to produce polarized radiation in an analytical laboratory with an X-ray tube and polarizer-analyzer facilities as auxiliary equipment. The results obtained with Bragg-polarizers of flat and curved focussing geometry and of Barkla-polarizers are presented. The advantages and disadvantages of the method are discussed and compared with the respective quality of synchrotron radiation. Polarization by scattering reduces the intensity of the primary radiation. Recently much effort is devoted to the construction of integrated high power X-ray tube polarizer-analyzer arrangements. The detailed design, geometry and performance of such a facility is described. (author)

  8. Polarized neutron spectrometer

    International Nuclear Information System (INIS)

    Abov, Yu.G.; Novitskij, V.V.; Alfimenkov, V.P.; Galinskij, E.M.; Mareev, Yu.D.; Pikel'ner, L.B.; Chernikov, A.N.; Lason', L.; Tsulaya, V.M.; Tsulaya, M.I.

    2000-01-01

    The polarized neutron spectrometer, intended for studying the interaction of polarized neutrons with nuclei and condensed media in the area of energies from thermal up to several electron-volt, is developed at the IBR-2 reactor (JINR, Dubna). Diffraction on the Co(92%)-Fe(8%) magnetized monocrystals is used for the neutron polarization and polarization analysis. The neutron polarization within the whole energy range equals ∼ 95% [ru

  9. Parton jet fragmentation at small momentum fraction (x)

    International Nuclear Information System (INIS)

    Kirschner, R.

    1984-05-01

    The parton fragmentation function is calculated at small x and the angular ordering condition is rederived by extending the method of separation of the softest particle, which is based on unitarity and gauge invariance. (author)

  10. (PCR) for direct cloning of blunt-end DNA fragments

    African Journals Online (AJOL)

    Administrator

    2011-09-19

    Sep 19, 2011 ... Key words: Blunt-end cloning, phosphorylated DNA fragment, dephosphorylated blunt-end vector. INTRODUCTION ... With this method, a lot of steps are saved, which includes restriction .... pBSK-blunt (data not shown).

  11. Modeling optical and UV polarization of AGNs. IV. Polarization timing

    Science.gov (United States)

    Rojas Lobos, P. A.; Goosmann, R. W.; Marin, F.; Savić, D.

    2018-03-01

    Context. Optical observations cannot resolve the structure of active galactic nuclei (AGN), and a unified model for AGN was inferred mostly from indirect methods, such as spectroscopy and variability studies. Optical reverberation mapping allowed us to constrain the spatial dimension of the broad emission line region and thereby to measure the mass of supermassive black holes. Recently, reverberation was also applied to the polarized signal emerging from different AGN components. In principle, this should allow us to measure the spatial dimensions of the sub-parsec reprocessing media. Aim. We conduct numerical modeling of polarization reverberation and provide theoretical predictions for the polarization time lag induced by different AGN components. The model parameters are adjusted to the observational appearance of the Seyfert 1 galaxy NGC 4151. Methods: We modeled scattering-induced polarization and tested different geometries for the circumnuclear dust component. Our tests included the effects of clumpiness and different dust prescriptions. To further extend the model, we also explored the effects of additional ionized winds stretched along the polar direction, and of an equatorial scattering ring that is responsible for the polarization angle observed in pole-on AGN. The simulations were run using a time-dependent version of the STOKES code. Results: Our modeling confirms the previously found polarization characteristics as a function of the observer`s viewing angle. When the dust adopts a flared-disk geometry, the lags reveal a clear difference between type 1 and type 2 AGN. This distinction is less clear for a torus geometry where the time lag is more sensitive to the geometry and optical depth of the inner surface layers of the funnel. The presence of a scattering equatorial ring and ionized outflows increased the recorded polarization time lags, and the polar outflows smooths out dependence on viewing angle, especially for the higher optical depth of the

  12. The dynamics of fragment formation

    International Nuclear Information System (INIS)

    Keane, D.

    1994-09-01

    We demonstrate that in the Quantum Molecular Dynamics model, dynamical correlations can result in the production rate for final state nucleon clusters (and hence composite fragments) being higher than would be expected if statistics and the available phase space were dominant in determining composite formation. An intranuclear cascade or a Boltzmann-Uehling-Uhlenbeck model, combined with a statistical approach in the late stage of the collision to determine composites, provides an equivalent description only under limited conditions of centrality and beam energy. We use data on participant fragment production in Au + Au collisions in the Bevalac's BOS time projection chamber to map out the parameter space where statistical clustering provides a good description. In particular, we investigate momentum-space densities of fragments up to 4 He as a function of fragment transverse momentum, azimuth relative to the reaction plane, rapidity, multiplicity and beam energy

  13. Chemical Production using Fission Fragments

    International Nuclear Information System (INIS)

    Dawson, J. K.; Moseley, F.

    1960-01-01

    Some reactor design considerations of the use of fission recoil fragment energy for the production of chemicals of industrial importance have been discussed previously in a paper given at the Second United Nations International Conference on the Peaceful Uses of Atomic Energy [A/Conf. 15/P.76]. The present paper summarizes more recent progress made on this topic at AERE, Harwell. The range-energy relationship for fission fragments is discussed in the context of the choice of fuel system for a chemical production reactor, and the experimental observation of a variation of chemical effect along the length of a fission fragment track is described for the irradiation of nitrogen-oxygen mixtures. Recent results are given on the effect of fission fragments on carbon monoxide-hydrogen gas mixtures and on water vapour. No system investigated to date shows any outstanding promise for large-scale chemical production. (author) [fr

  14. An Enumerative Combinatorics Model for Fragmentation Patterns in RNA Sequencing Provides Insights into Nonuniformity of the Expected Fragment Starting-Point and Coverage Profile.

    Science.gov (United States)

    Prakash, Celine; Haeseler, Arndt Von

    2017-03-01

    RNA sequencing (RNA-seq) has emerged as the method of choice for measuring the expression of RNAs in a given cell population. In most RNA-seq technologies, sequencing the full length of RNA molecules requires fragmentation into smaller pieces. Unfortunately, the issue of nonuniform sequencing coverage across a genomic feature has been a concern in RNA-seq and is attributed to biases for certain fragments in RNA-seq library preparation and sequencing. To investigate the expected coverage obtained from fragmentation, we develop a simple fragmentation model that is independent of bias from the experimental method and is not specific to the transcript sequence. Essentially, we enumerate all configurations for maximal placement of a given fragment length, F, on transcript length, T, to represent every possible fragmentation pattern, from which we compute the expected coverage profile across a transcript. We extend this model to incorporate general empirical attributes such as read length, fragment length distribution, and number of molecules of the transcript. We further introduce the fragment starting-point, fragment coverage, and read coverage profiles. We find that the expected profiles are not uniform and that factors such as fragment length to transcript length ratio, read length to fragment length ratio, fragment length distribution, and number of molecules influence the variability of coverage across a transcript. Finally, we explore a potential application of the model where, with simulations, we show that it is possible to correctly estimate the transcript copy number for any transcript in the RNA-seq experiment.

  15. Observation of different isoscaling behavior between emitted fragments and residues

    Energy Technology Data Exchange (ETDEWEB)

    Youngs, M., E-mail: mdyoungs@comp.tamu.edu [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); McIntosh, A.B.; Hagel, K. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Heilborn, L. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Chemistry Department, Texas A& M University, College Station, TX 77843 (United States); Huang, M. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Jedele, A.; Kohley, Z.; May, L.W. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Chemistry Department, Texas A& M University, College Station, TX 77843 (United States); McCleskey, E. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Zarrella, A.; Yennello, S.J. [Cyclotron Institute, Texas A& M University, College Station, TX 77843 (United States); Chemistry Department, Texas A& M University, College Station, TX 77843 (United States)

    2017-06-15

    The traditional isoscaling technique has been used to analyze all isotopically identified particles from {sup 70}Zn+{sup 70}Zn and {sup 64}Zn+{sup 64}Zn collisions at 35 MeV/u. Two additional techniques, using an energy-averaged ratio and using the data present in the tail of energy spectra, are compared to the traditional method and show similar results. Isoscaling fit parameters α and β are found both globally and for each individual series of constant Z and N. The data are then split up between emitted fragments and projectile-like fragments. Isoscaling values for the two different types of fragments are shown to be different, emphasizing the importance of experimentally distinguishing between projectile-like fragments and emitted fragments in order to achieve accurate isoscaling parameters.

  16. MaRaCluster: A Fragment Rarity Metric for Clustering Fragment Spectra in Shotgun Proteomics.

    Science.gov (United States)

    The, Matthew; Käll, Lukas

    2016-03-04

    Shotgun proteomics experiments generate large amounts of fragment spectra as primary data, normally with high redundancy between and within experiments. Here, we have devised a clustering technique to identify fragment spectra stemming from the same species of peptide. This is a powerful alternative method to traditional search engines for analyzing spectra, specifically useful for larger scale mass spectrometry studies. As an aid in this process, we propose a distance calculation relying on the rarity of experimental fragment peaks, following the intuition that peaks shared by only a few spectra offer more evidence than peaks shared by a large number of spectra. We used this distance calculation and a complete-linkage scheme to cluster data from a recent large-scale mass spectrometry-based study. The clusterings produced by our method have up to 40% more identified peptides for their consensus spectra compared to those produced by the previous state-of-the-art method. We see that our method would advance the construction of spectral libraries as well as serve as a tool for mining large sets of fragment spectra. The source code and Ubuntu binary packages are available at https://github.com/statisticalbiotechnology/maracluster (under an Apache 2.0 license).

  17. QGP and Modified Jet Fragmentation

    International Nuclear Information System (INIS)

    Wang, Xin-Nian

    2005-01-01

    Recent progresses in the study of jet modification in hotmedium and their consequences in high-energy heavy-ion collisions are reviewed. In particular, I will discuss energy loss for propagating heavy quarks and the resulting modified fragmentation function. Medium modification of the parton fragmentation function due to quark recombination are formulated within finite temperature field theory and their implication on the search for deconfined quark-gluon plasma is also discussed

  18. Recent progress on perturbative QCD fragmentation functions

    International Nuclear Information System (INIS)

    Cheung, K.

    1995-05-01

    The recent development of perturbative QCD (PQCD) fragmentation functions has strong impact on quarkonium production. I shall summarize B c meson production based on these PQCD fragmentation functions, as well as, the highlights of some recent activities on applying these PQCD fragmentation functions to explain anomalous J/ψ and ψ' production at the Tevatron. Finally, I discuss a fragmentation model based on the PQCD fragmentation functions for heavy quarks fragmenting into heavy-light mesons

  19. Charge distribution in the ternary fragmentation of {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Senthil Kannan, M.T.; Balasubramaniam, M. [Bharathiar University, Department of Physics, Coimbatore (India)

    2017-08-15

    We present here, for the first time, a study on ternary fragmentation charge distribution of {sup 252}Cf using the convolution integral method and the statistical theory. The charge distribution for all possible charge combinations of a ternary breakup are grouped as a bin containing different mass partitions. Different bins corresponding to various third fragments with mass numbers from A{sub 3} = 16 to 84 are identified with the available experimental masses. The corresponding potential energy surfaces are calculated using the three cluster model for the two arrangements A{sub 1} + A{sub 2} + A{sub 3} and A{sub 1} + A{sub 3} + A{sub 2}. The ternary fragmentation yield values are calculated for the ternary combination from each bin possessing minimum potential energy. The yields of the resulting ternary combinations as a function of the charge numbers of the three fragments are analyzed for both the arrangements. The calculations are carried out at different excitation energies of the parent nucleus. For each excitation energy the temperature of the three fragments are iteratively computed conserving the total energy. The distribution of fragment temperatures corresponding to different excitation energies for some fixed third fragments are discussed. The presence of the closed shell nucleus Sn in the favourable ternary fragmentation is highlighted. (orig.)

  20. Quantification of habitat fragmentation reveals extinction risk in terrestrial mammals

    Science.gov (United States)

    Crooks, Kevin R.; Burdett, Christopher L.; Theobald, David M.; King, Sarah R. B.; Rondinini, Carlo; Boitani, Luigi

    2017-01-01

    Although habitat fragmentation is often assumed to be a primary driver of extinction, global patterns of fragmentation and its relationship to extinction risk have not been consistently quantified for any major animal taxon. We developed high-resolution habitat fragmentation models and used phylogenetic comparative methods to quantify the effects of habitat fragmentation on the world’s terrestrial mammals, including 4,018 species across 26 taxonomic Orders. Results demonstrate that species with more fragmentation are at greater risk of extinction, even after accounting for the effects of key macroecological predictors, such as body size and geographic range size. Species with higher fragmentation had smaller ranges and a lower proportion of high-suitability habitat within their range, and most high-suitability habitat occurred outside of protected areas, further elevating extinction risk. Our models provide a quantitative evaluation of extinction risk assessments for species, allow for identification of emerging threats in species not classified as threatened, and provide maps of global hotspots of fragmentation for the world’s terrestrial mammals. Quantification of habitat fragmentation will help guide threat assessment and strategic priorities for global mammal conservation. PMID:28673992