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Sample records for polar merocyanine isomers

  1. Pregnanolone isomers, pregnenolone and their polar conjugates around parturition

    Czech Academy of Sciences Publication Activity Database

    Klak, J.; Hill, M.; Pařízek, A.; Havlíková, H.; Bičíková, M.; Hampl, R.; Fait, T.; Šulcová, J.; Pouzar, Vladimír; Kancheva, R.; Stárka, L.

    2003-01-01

    Roč. 52, - (2003), s. 211-221 ISSN 0862-8408 R&D Projects: GA ČR GA303/00/1559 Institutional research plan: CEZ:AV0Z4055905 Keywords : pregnanolone isomers * pregnanolone * maternal plasma Subject RIV: CC - Organic Chemistry Impact factor: 0.939, year: 2003

  2. Linear and branched perfluorooctane sulfonate (PFOS) isomer patterns differ among several tissues and blood of polar bears.

    Science.gov (United States)

    Greaves, Alana K; Letcher, Robert J

    2013-09-01

    Perfluorooctane sulfonate (PFOS) is a globally distributed persistent organic pollutant that has been found to bioaccumulate and biomagnify in aquatic food webs. Although principally in its linear isomeric configuration, 21-35% of the PFOS manufactured via electrochemical fluorination is produced as a branched structural isomer. PFOS isomer patterns were investigated in multiple tissues of polar bears (Ursus maritimus) from East Greenland. The liver (n = 9), blood (n = 19), brain (n = 16), muscle (n = 5), and adipose (n = 5) were analyzed for linear PFOS (n-PFOS), as well as multiple mono- and di-trifluoromethyl-substituted branched isomers. n-PFOS accounted for 93.0 ± 0.5% of Σ-PFOS isomer concentrations in the liver, whereas the proportion was significantly lower (pblood (85.4 ± 0.5%). Branched isomers were quantifiable in the liver and blood, but not in the brain, muscle, or adipose. In both the liver and blood, 6-perfluoromethylheptane sulfonate (P6MHpS) was the dominant branched isomer (2.61 ± 0.10%, and 3.26 ± 0.13% of Σ-PFOS concentrations, respectively). No di-trifluoromethyl-substituted isomers were detectable in any of the tissues analyzed. These tissue-specific isomer patterns suggest isomer-specific pharmacokinetics, perhaps due to differences in protein affinities, and thus differences in protein interactions, as well transport, absorption, and/or metabolism in the body. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

  3. Polarity-Dependent Isomerization of an Unsymmetrical Overcrowded Ethylene Promoted by Zwitterionic Contribution in the Twisted Isomer.

    Science.gov (United States)

    Hirao, Yasukazu; Nagamachi, Nobuhiro; Hosoi, Katsuma; Kubo, Takashi

    2018-03-02

    The twisted form of bianthrone is known as a metastable state provided by a photo-induced or thermal-induced isomerization of the folded form, and thus prevents the isolation and the detailed analysis of its electronic structure. In this study, an unsymmetrical bianthrone (2), consisting of the electron-withdrawing anthrone and electron-donating acridane, have been synthesized and shown to exhibit a solvent-polarity-dependent isomerization reaction between the folded and twisted isomers. With increasing the polarity of the solvent, 2 showed an isomerization reaction from the folded form to the twisted form. The stabilization of the twisted isomer in polar solvents can be interpreted as proof of its relatively large zwitterionic character. The DMF solution of 2 displayed paramagnetically-broadened NMR signals from the thermally populated triplet state resulting from rotation of the weakened ethylenic double bond of the twisted isomer. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Structural and quantum chemical analysis of exciton coupling in homo- and heteroaggregate stacks of merocyanines

    Science.gov (United States)

    Bialas, David; Zitzler-Kunkel, André; Kirchner, Eva; Schmidt, David; Würthner, Frank

    2016-01-01

    Exciton coupling is of fundamental importance and determines functional properties of organic dyes in (opto-)electronic and photovoltaic devices. Here we show that strong exciton coupling is not limited to the situation of equal chromophores as often assumed. Quadruple dye stacks were obtained from two bis(merocyanine) dyes with same or different chromophores, respectively, which dimerize in less-polar solvents resulting in the respective homo- and heteroaggregates. The structures of the quadruple dye stacks were assigned by NMR techniques and unambiguously confirmed by single-crystal X-ray analysis. The heteroaggregate stack formed from the bis(merocyanine) bearing two different chromophores exhibits remarkably different ultraviolet/vis absorption bands compared with those of the homoaggregate of the bis(merocyanine) comprising two identical chromophores. Quantum chemical analysis based on an extension of Kasha's exciton theory appropriately describes the absorption properties of both types of stacks revealing strong exciton coupling also between different chromophores within the heteroaggregate. PMID:27680284

  5. Photoisomerization among ring-open merocyanines. I. Reaction dynamics and wave-packet oscillations induced by tunable femtosecond pulses

    Science.gov (United States)

    Ruetzel, Stefan; Diekmann, Meike; Nuernberger, Patrick; Walter, Christof; Engels, Bernd; Brixner, Tobias

    2014-06-01

    Upon ultraviolet excitation, photochromic spiropyran compounds can be converted by a ring-opening reaction into merocyanine molecules, which in turn can form several isomers differing by cis and trans configurations in the methine bridge. Whereas the spiropyran-merocyanine conversion reaction of the nitro-substituted indolinobenzopyran 6-nitro-1',3',3'-trimethylspiro[2H-1-benzopyran-2,2'-indoline] (6-nitro BIPS) has been studied extensively in theory and experiments, little is known about photoisomerization among the merocyanine isomers. In this article, we employ femtosecond transient absorption spectroscopy with variable excitation wavelengths to investigate the excited-state dynamics of the merocyanine in acetonitrile at room temperature, where exclusively the trans-trans-cis (TTC) and trans-trans-trans (TTT) isomers contribute. No photochemical ring-closure pathways exist for the two isomers. Instead, we found that (18±4)% of excited TTC isomers undergo an ultrafast excited-state cis→trans photoisomerization to TTT within 200 fs, while the excited-state lifetime of TTC molecules that do not isomerize is 35 ps. No photoisomerization was detected for the TTT isomer, which relaxes to the ground state with a lifetime of roughly 160 ps. Moreover, signal oscillations at 170 cm-1 and 360 cm-1 were observed, which can be ascribed to excited-state wave-packet dynamics occurring in the course of the TTC→TTT isomerization. The results of high-level time-dependent density functional theory in conjunction with polarizable continuum models are presented in the subsequent article [C. Walter, S. Ruetzel, M. Diekmann, P. Nuernberger, T. Brixner, and B. Engels, J. Chem. Phys. 140, 224311 (2014)].

  6. Terazulene Isomers: Polarity Change of OFETs through Molecular Orbital Distribution Contrast.

    Science.gov (United States)

    Yamaguchi, Yuji; Takubo, Maki; Ogawa, Keisuke; Nakayama, Ken-Ichi; Koganezawa, Tomoyuki; Katagiri, Hiroshi

    2016-09-07

    Intermolecular orbital coupling is fundamentally important to organic semiconductor performance. Recently, we reported that 2,6':2',6″-terazulene (TAz1) exhibited excellent performance as an n-type organic field-effect transistor (OFET) via molecular orbital distribution control. To validate and develop this concept, here we present three other terazulene regioisomers, which have three azulene molecules connected at the 2- or 6-position along the long axis of the azulene, thus constructing a linear expanded π-conjugation system: 2,2':6',2″-terazulene (TAz2), 2,2':6',6″-terazulene (TAz3), and 6,2':6',6″-terazulene (TAz4). TAz2 and TAz3 exhibit ambipolar characteristics; TAz4 exhibits clear n-type transistor behavior as an OFET. The lowest unoccupied molecular orbitals (LUMOs) of all terazulenes are fully delocalized over the entire molecule. In contrast, the highest occupied molecular orbitals (HOMOs) of TAz2 and TAz3 are delocalized over the 2,2'-biazulene units; the HOMOs of TAz4 are localized at one end of the azulene unit. These findings confirm that terazulene isomers which are simple hydrocarbon compounds are versatile materials with a tunable-polarity FET characteristic that depends on the direction of the azulene unit and the related contrast of the molecular orbital distribution in the terazulene backbone.

  7. UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

    Science.gov (United States)

    Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

    2018-02-01

    Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

  8. Antineoplastic And Antiviral Properties Of Merocyanine 540

    Science.gov (United States)

    Sieber, Fritz

    1989-03-01

    Simultaneous exposure to the lipophilic photosensitizer, merocyanine 540, and light in the presence of serum (or certain serum components) and oxygen kills leukemia cells, lymphoma cells, neuroblastoma cells, cell-free enveloped viruses, cell-associated enveloped viruses, and virus-infected cells. The same treatment spares pluripotent hematopoietic stem cells, mature erythrocytes, factor VIII, von Willebrand factor, and probably other blood components. Merocyanine 540-mediated photosensitization is now being evaluated clinically as a means to eliminate residual tumor cells from autologous remission bone marrow grafts and preclinically as a means to inactivate pathogenic viruses in blood products.

  9. Enhancing glycan isomer separations with metal ions and positive and negative polarity ion mobility spectrometry-mass spectrometry analyses

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Xueyun; Zhang, Xing; Schocker, Nate; Renslow, Ryan S.; Orton, Daniel J.; Khamsi, Jamal; Ashmus, Roger A.; Almeida, Igor C.; Tang, Keqi; Costello, Catherine E; Smith, Richard D.; Michael, Katja; Baker, Erin M.

    2016-09-07

    Glycomics has become an increasingly important field of research since glycans play critical roles in biology processes ranging from molecular recognition and signaling to cellular communication. Glycans often conjugate with other biomolecules such as proteins and lipids, and alter their properties and functions, so understanding the effect glycans have on cellular systems is essential. However the analysis of glycans is extremely difficult due to their complexity and structural diversity (i.e., the number and identity of monomer units, and configuration of their glycosidic linkages and connectivities). In this work, we coupled ion mobility spectrometry with mass spectrometry (IMS-MS) to characterize glycan standards and biologically important isomers of synthetic αGal-containing O-glycans including glycotopes of the protozoan parasite Trypanosoma cruzi, which is the causative agent of Chagas disease. IMS-MS results showed significant differences for the glycan structural isomers when analyzed in positive and negative polarity and complexed with different metal cations. These results suggest specific metal ions or ion polarities could be used to target and baseline separate glycan isomers of interest with IMS-MS.

  10. Photoisomerization among ring-open merocyanines. II. A computational study

    Science.gov (United States)

    Walter, Christof; Ruetzel, Stefan; Diekmann, Meike; Nuernberger, Patrick; Brixner, Tobias; Engels, Bernd

    2014-06-01

    The photochemical isomerization of the trans-trans-cis to the trans-trans-trans isomer of the merocyanine form of 6-nitro BIPS, which has been studied with femtosecond transient absorption spectroscopy [S. Ruetzel, M. Diekmann, P. Nuernberger, C. Walter, B. Engels, and T. Brixner, J. Chem. Phys. 140, 224310 (2014)], is investigated using time-dependent density functional theory in conjunction with polarizable continuum models. Benchmark calculations against SCS-ADC(2) evaluate the applicability of the CAM-B3LYP functional. Apart from a relaxed scan in the ground state with additional computation of the corresponding excitation energies, which produces the excited-state surface vertical to the ground-state isomerization coordinate, a relaxed scan in the S1 gives insight into the geometric changes orthogonal to the reaction coordinate and the fluorescence conditions. The shape of the potential energy surface (PES) along the reaction coordinate is found to be highly sensitive to solvation effects, with the method of solvation (linear response vs. state-specific) being critical. The shape of the PES as well as the computed harmonic frequencies in the S1 minima are in line with the experimental results and offer a straightforward interpretation.

  11. Study of polar and nonpolar substituted benzenes and aromatic isomers on carbon-coated zirconia and alkyl bonded phases.

    Science.gov (United States)

    Jackson, Paul T; Carr, Peter W

    2002-06-07

    Retention factors of polar and non-polar mono- and di-substituted benzene derivatives were measured on carbon coated zirconia (C/ZrO2) and an alkyl modified silica using water-acetonitrile mobile phases. Published data on porous graphitic carbon phases (PGC) were used to facilitate comparisons between the two types of carbon media. This work showed that retention on both C/ZrO2 and PGC is much more sensitive to the solute polarizability, dipolarity, and shape than on aliphatic phases. For simple disubstituted benzenes there was no general clear cut advantage in terms of chromatographic selectivity to using a carbon-based phase over a bonded phase silica; however, the selectivities towards such isomers are quite different on the two types of media. In contradistinction to their effect on alkyl bonded phase retention, addition of a dipolar substituent and weak hydrogen bond acceptor to a benzene ring almost always increases the solute's retention on C/ZrO2 and PGC.

  12. Structural characterization of a mixed Langmuir-Blodgett film of a merocyanine dye derivative-deuterated arachidic acid binary system and the influence of successive hydrothermal treatment in the liquid phase on the film as investigated by polarized UV-visible and IR absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Yamazaki, Asuka; Maio, Ari; Kitahama, Yasutaka; Ozaki, Yukihiro

    2010-08-26

    We have investigated the structure of the mixed Langmuir-Blodgett (LB) film of a merocyanine dye derivative (MO(18))-deuterated arachidic acid (C(20)-d) binary system and the influence of successive hydrothermal treatment in the liquid phase (HTTL) on the mixed LB film by means of polarized UV-visible and IR absorption spectroscopy. The visible absorption band with in-plane anisotropy at 503 nm before HTTL transforms into an absorption band with in-plane isotropy at 557 nm after HTTL for 16-18 min through a peak maximum near 520 nm after HTTL for 2-12 min. The degree of total MO(18) intramolecular charge transfer for the 503 nm band is the largest among those for all of the bands. Therefore, the 503 nm band is ascribed to the MO(18) H-like aggregation, based on its shape, peak height, and in-plane anisotropy, the subsequent change to two kinds of visible peaks by successive HTTL, and the most degree of MO(18) intramolecular charge transfer among all of the aggregation states. While the MO(18) hydrocarbon chain takes the all-trans conformation before HTTL, its conformation and orientation are most disarranged after HTTL for 2 min. Subsequently, the original conformation and orientation are recovered by degrees with successive HTTL, except after final HTTL for 18 min, when the orientation is again changed. On the other hand, the C(20)-d hydrocarbon chain maintains the all-trans conformation before and after HTTL. The orientation of the C(20)-d hydrocarbon chain after HTTL for 2 min is more ordered than that before HTTL, with the nature of the C(20)-d subcell packing changing from hexagonal to orthorhombic. During successive HTTL from 2 to 18 min, the C(20)-d orientation is gradually disorganized but with the orthorhombic nature remaining constant. Thus, the variations in the conformation and orientation of the MS(18) hydrocarbon chain and in the orientation of the C(20)-d hydrocarbon chain tend to change from ordered and disordered structures and turn to more

  13. Photoisomerization of merocyanine 540 in polymer-surfactant ...

    Indian Academy of Sciences (India)

    Photoisomerization of merocyanine 540 (MC540) in a polymer-surfactant aggregate is studied using picosecond time resolved emission spectroscopy. The aggregate consists of the polymer, poly(vinylpyrrolidone) (PVP) and the surfactant, sodium dodecyl sulphate (SDS). With increase in the concentration of SDS in an ...

  14. A Strategy for Simultaneous Isolation of Less Polar Ginsenosides, Including a Pair of New 20-Methoxyl Isomers, from Flower Buds of Panax ginseng

    Directory of Open Access Journals (Sweden)

    Sha-Sha Li

    2017-03-01

    Full Text Available The present study was designed to simultaneously isolate the less polar ginsenosides from the flower buds of Panax ginseng (FBPG. Five ginsenosides, including a pair of new 20-methoxyl isomers, were extracted from FBPG and purified through a five-step integrated strategy, by combining ultrasonic extraction, Diaion Hp-20 macroporous resin column enrichment, solid phase extraction (SPE, reversed-phase high-performance liquid chromatography (RP-HPLC analysis and preparation, and nuclear magnetic resonance (NMR analysis. The quantification of the five ginsenosides was also discussed by a developed method with validations within acceptable limits. Ginsenoside Rg5 showed content of about 1% in FBPG. The results indicated that FBPG might have many different ginsenosides with diverse chemical structures, and the less polar ginsenosides were also important to the quality control and standardization of FBPG.

  15. Characterization of cis- and trans-octadecenoic acid positional isomers in edible fat and oil using gas chromatography-flame ionisation detector equipped with highly polar ionic liquid capillary column.

    Science.gov (United States)

    Yoshinaga, Kazuaki; Asanuma, Masaharu; Mizobe, Hoyo; Kojima, Koichi; Nagai, Toshiharu; Beppu, Fumiaki; Gotoh, Naohiro

    2014-10-01

    In this study, the characterisation of all cis- and trans-octadecenoic acid (C18:1) positional isomers in partially hydrogenated vegetable oil (PHVO) and milk fat, which contain several cis- and trans-C18:1 positional isomers, was achieved by gas chromatography-flame ionisation detector equipped with a highly polar ionic liquid capillary column (SLB-IL111). Prior to analysis, the cis- and trans-C18:1 fractions in PHVO and milk fat were separated using a silver-ion cartridge. The resolution of all cis-C18:1 positional isomers was successfully accomplished at the optimal isothermal column temperature of 120 °C. Similarly, the positional isomers of trans-C18:1, except for trans-6-C18:1 and trans-7-C18:1, were separated at 120 °C. The resolution of trans-6-C18:1 and trans-7-C18:1 isomers was made possible by increasing the column temperature to 160 °C. This analytical method is suitable for determining the cis- and trans-C18:1 positional isomers in edible fats and oils. Copyright © 2014 Elsevier Ltd. All rights reserved.

  16. Photophysical properties of a surfactive long-chain styryl merocyanine dye as fluorescent probe

    Energy Technology Data Exchange (ETDEWEB)

    Ismail, L.F.M., E-mail: Lailafmi@yahoo.com [Al-Azhar University, Faculty of Science, Chemistry Department, Nasr City, 12 Ibrahim El-Nagar, El-Hegaz Sq. Heliopolis, Cairo 11315 (Egypt)

    2012-09-15

    This work deals with detailed investigations of the photophysical properties of a styryl merocyanine dye, namely 1-cetyl-4-[4 Prime -(methoxy) styryl]-pyridinium bromide (CMSPB) of molecular rotor type. The solvatochromic analyses of the data in different solvents using the Kamlet-Taft parameters ({alpha}, {beta}, {pi}{sup Low-Asterisk }) were discussed. Optical excitation of the studied merocyanine dye populates a CT S{sub 1} state with about 22.64 folds higher dipole moment value relative to that in the S{sub 0} state. Moreover, the effect of solvent viscosity (glycerol at various temperatures (299.0-351.0 K)) on CMSPB fluorescent properties is analyzed to understand the molecular mechanisms of the characteristic increase in CMSPB fluorescence intensity. The results indicate that CMSPB exhibits fluorescent properties typical for molecular rotors. The results show that torsional relaxation dynamics of molecular rotors in high-viscosity solvents cannot be described by the simple stick boundary hydrodynamics defined by the Debye-Stokes-Einstein (DSE) equation. The fluorescence depolarization behavior in glycerol at various temperatures (299.0-351.0 K) shows that the molecular rotational diffusion is controlled by the free volume of the medium. Furthermore, excited state studies in ethanol/chloroform mixture revealed the formation of weak complex with chloroform of stoichiometry 1:1 with formation constant of 0.004l mol{sup -1}. Moreover, the increase of the quantum yield values in micellar solutions of CTAB and SDS relative to that of water indicates that the guest dye molecules are microencapsulated into the hydrophobic interior of host micelle. The obtained non-zero values of fluorescence polarization in micellar solution imply reduced rotational depolarization of dye molecules via association with the surfactant. Upon comparing the spectral data in micelles with those in homogeneous solvent systems, more can be learned of the structural details of the micellar

  17. Stilbazolium Merocyanine Dye Determination in Different Solutions, Concentrations and Colloids Using SERS

    DEFF Research Database (Denmark)

    Pajchrowski, Grzegorz; Abdali, Salim; Nørbygaard, Thomas

    2006-01-01

    Surface Enhanced Raman Scattering (SERS) measurements were carried out on stilbazolium merocyanine dye in methanol and pyridine solvents. Both solutions were measured in series of concentrations, covering a range of 5·10-5 M to 5·10-8 M. In these measurements Ag and Au colloids were used and the ......Surface Enhanced Raman Scattering (SERS) measurements were carried out on stilbazolium merocyanine dye in methanol and pyridine solvents. Both solutions were measured in series of concentrations, covering a range of 5·10-5 M to 5·10-8 M. In these measurements Ag and Au colloids were used...... report here on the success of using SERS to obtain Raman spectra of merocyanine dye at very low concentration in an attempt of new approach, which can be used for further investigations of the dye. The SERS spectra will here be reported and the results from different solutions, colloids, concentrations...

  18. Two-Photon-Induced Isomerization of Spiropyran/Merocyanine at the Air/Water Interface Probed by Second Harmonic Generation.

    Science.gov (United States)

    Lin, Lu; Zhang, Zhen; Lu, Zhou; Guo, Yuan; Liu, Minghua

    2016-10-13

    Photochromic molecules often exhibit switchable hyperpolarizabilities upon photoisomerization between two molecular states and can be widely applied in nonlinear optical materials. Photoisomerization can occur through either one-photon or two-photon processes. Two-photon-induced isomerization has several advantages over one-photon process but has not been fully explored. In the present study, we have used second harmonic generation to investigate the two-photon-induced isomerization between spiropyran and merocyanine at the air/water interface. We show that spiropyran and merocyanine can be converted into each other reversibly with 780-nm laser-beam irradiation through two-photon processes. We also investigated the isomerization rates under various incident laser powers. Quantitative analysis revealed that the isomerization rates of spiropyran and merocyanine depend differently on the laser power. We attribute the difference to the distinct molecular structures of spiropyran and merocyanine. At the interface, nonplanar spiropyran molecules exist mainly as monomers, whereas planar merocyanine molecules form aggregates. Upon aggregation, steric hindrance effects and excitonic coupling efficiently arrest the photoisomerization of merocyanine. This work provides an in-depth understanding of two-photon-induced isomerization at the interface, which is beneficial for designing and controlling optical thin-film materials.

  19. One-pot three-component synthesis and photophysical characteristics of novel triene merocyanines

    Directory of Open Access Journals (Sweden)

    Christian Muschelknautz

    2014-03-01

    Full Text Available Novel triene merocyanines, i.e. 1-styryleth-2-enylidene and 4-(1,3,3-trimethylindolin-2-ylidenebut-2-en-1-ylideneindolones are obtained in good to excellent yields in a consecutive three-component insertion Sonogashira coupling–addition sequence. The selectivity of either series is remarkable and has its origin in the stepwise character of the terminal addition step as shown by extensive computations on the DFT level. All merocyanines display intense absorption bands in solution and the film spectra indicate J-aggregation. While 1-styryleth-2-enylideneindolones show an intense deep red emission in films, 4-(1,3,3-trimethylindolin-2-ylidenebut-2-en-1-ylideneindolones are essentially nonemissive in films or in the solid state. TD-DFT computations rationalize the charge-transfer nature of the characteristic broad long-wavelength absorptions bands.

  20. Benzene and its Isomers

    Indian Academy of Sciences (India)

    Benzene and its Isomers atomic weights and availability of improved analytical methods. At this time the .... geometry. Forcing them in cyclic structures would lead to signifi- cant strain. Bicyclic structures do not easily accommodate double bonds at bridgehead positions (Bredt's rule). Many of the polycy- clic isomers clearly ...

  1. Photolysis properties of merocyanine dye LB films by various time of UV irradiation.

    Science.gov (United States)

    Yang, Chang-Heon; Lee, Ji-Yoon; Sung, Gi-Chan; Kim, Gyong-Chol; Shin, Hoon-Kyu; Kwon, Young-Soo

    2011-02-01

    We fabricated the merocyanine dye LB films with arachidic acid (MD LB films). We compared absorption peak of before and after added Cd2+. The optical absorption peak of the MD LB films was shifted to 610 nm at 535 nm, when Cd2+ ions were added. We also investigated the optical absorption peak of the LB films by various time at 365 nm UV. We confirmed J-aggregation and photolysis properties. This is that studied the application possibility of the switching device and the nonvolatile memory.

  2. Seniority isomers in nuclei

    International Nuclear Information System (INIS)

    Van Isacker, P

    2011-01-01

    Seniority isomers are nuclear states with an electromagnetic decay that is hindered by selection rules related to the seniority quantum number. A simple analysis is presented of their possible formation with reference to the nickel isotopes 70–76 Ni and the N = 50 isotones from molybdenum to cadmium. It is shown that the existence of seniority isomers in a j = 9/2 shell is predominantly governed by the quadrupole pairing matrix element of the nucleon-nucleon interaction. The analysis is generalized to shells with larger j.

  3. J-aggregation characteristics of merocyanine dye with arachidic acid LB films by heat treatment.

    Science.gov (United States)

    Yang, Chang-Heon; Lee, Ji-Yoon; Shin, Hoon-Kyu; Kim, Gyong-Chol; Kwon, Young-Soo

    2009-12-01

    For a measurement of J-aggregation characteristics by heat treatment, we fabricated arachidic acid (AA)-Merocyanine dye mixed Langmuir-Blodgett (LB) films. pi-A curves were used to investigate the surface pressure of the LB film from a liquid to a solid state while the pressure ranged from 35 and 40 mN/m. When the surface pressure reached 40 mN/m, a monolayer was deposited onto the hydrophilic glass substrates by Y-type deposition. For the UV spectrum observation, a multi layer film was deposited. A narrowing of the red-shifted band was observed. We studied the effect of heat treatments at temperatures below 60 degrees C by observing the UV spectra of merocyanine dye (MD). The J-aggregation was centered at 550-590 nm at 20 degrees C-25 degrees C. We will study the system before and after the application of heat treatment J-aggregation. The J-aggregation will be thermally induced in the mixed LB films by heat treatments at various temperatures. We expect that after heat treatment, the spectral shape and peak of the band will be altered. We investigated that morphology of MD using STM. Also I-V curve was decreased as increasing temperatures.

  4. Benzene and its Isomers

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 5. Benzene and its Isomers - How many Structures can we Draw for C6H6? Gopalpur Nagendrappa. General Article Volume 6 Issue 5 May 2001 pp 74-78. Fulltext. Click here to view fulltext PDF. Permanent link:

  5. Optical and electrical properties of merocyanine dye LB films by various time of UV irradiation and heat treatment.

    Science.gov (United States)

    Sung, Gi-Chan; Kang, Hyen-Wook; Lee, Ji-Yoon; Yang, Chang-Heon; Shin, Hoon-Kyu; Lee, Burm-Jong; Kwon, Young-Soo

    2011-05-01

    The Langmuir-Blodgett (LB) technique provides many possibilities for the control of film thickness, dimensions, and molecular structures on the nanometer scale. Various kinds of dye molecules have been found to form the J-aggregation which has been used as sensitizers of silver halide photography for long time. In recent years, they attract attention as model systems for investigating the ultra-fast exciton dynamics, materials for ultra-fast nonlinear optical devices, fluorescence probes for mitochondrial membranes. We fabricated the merocyanine dye LB films with arachidic acid (AA). In order to observe the J-aggregation of the merocyanine dye LB films, CdCl2 and KHCO3 solutions were added in subphase. From the optical absorption spectra of the mixed dye LB films (6Me-Ds:AA = 1:2) at different layers, the optical absorption peak was about 520 nm. However, the optical absorption peak of the LB films was shifted to 600 nm, when CdCl2 and KHCO3 solutions were added. This is the consequence result to the J-aggregation of the merocyanine dye. We also investigated the optical absorption peak of the LB films according to various time at 60 degrees C and 275 nm UV. We measured the STM morphology of the merocyanine dye LB film (1 layer) before UV irradiation and heat treatment. The morphology size of the LB film on HOPG was 5 nm. The roughness and molecular size were about 66.163 pm and 0.176 nm, respectively. The J-aggregation of this type was also accompanied by large morphological changes. We analyze the morphology and electrical properties of the LB films by the scanning tunneling microscopy (STM).

  6. Isomer-specific degradation of branched and linear 4-nonylphenol isomers in an oxic soil.

    Science.gov (United States)

    Shan, Jun; Jiang, Bingqi; Yu, Bin; Li, Chengliang; Sun, Yuanyuan; Guo, Hongyan; Wu, Jichun; Klumpp, Erwin; Schäffer, Andreas; Ji, Rong

    2011-10-01

    Using (14)C- and (13)C-ring-labeling, degradation of five p-nonylphenol (4-NP) isomers including four branched (4-NP(38), 4-NP(65), 4-NP(111), and 4-NP(112)) and one linear (4-NP(1)) isomers in a rice paddy soil was studied under oxic conditions. Degradation followed an availability-adjusted first-order kinetics with the decreasing order of half-life 4-NP(111) (10.3 days) > 4-NP(112) (8.4 days) > 4-NP(65) (5.8 days) > 4-NP(38) (2.1 days) > 4-NP(1) (1.4 days), which is in agreement with the order of their reported estrogenicities. One metabolite of 4-NP(111) with less polarity than the parent compound occurred rapidly and remained stable in the soil. At the end of incubation (58 days), bound residues of 4-NP(111) amounted to 54% of the initially applied radioactivity and resided almost exclusively in the humin fraction of soil organic matter, in which chemically humin-bound residues increased over incubation. Our results indicate an increase of specific estrogenicity of the remaining 4-NPs in soil as a result of the isomer-specific degradation and therefore underline the importance of understanding the individual fate (including degradation, metabolism, and bound-residue formation) of isomers for risk assessment of 4-NPs in soil. 4-NP(1) should not be used as a representative of 4-NPs for studies on their environmental behavior.

  7. Efficient sensitization of nanocrystalline TiO{sub 2} films with cyanine and merocyanine organic dyes

    Energy Technology Data Exchange (ETDEWEB)

    Sayama, Kazuhiro; Hara, Kohjiro; Arakawa, Hironori [National Inst. of Advanced Industrial Science and Technology (AIST), Photoreaction Control Research Center (PCRC), Tsukuba, Ibaraki (Japan); Tsukagoshi, Shingo; Mori, Tohru; Abe, Yoshimoto [Tokyo Science Univ., Faculty of Science and Technology, Noda, Chiba (Japan); Ohga, Yasuyo; Shinpou, Akira; Suga, Sadaharu [Hayashibara Biochemical Labs. Inc., Okayama (Japan)

    2003-10-15

    Various kinds of cyanine and merocyanine organic dyes having short anchoring groups as sensitizers on nanocrystalline TiO{sub 2} electrodes were investigated to promote the short-circuit photocurrent (J{sub sc}) and the solar light-to-power conversion efficiency ({eta}{sub sun}). The J{sub sc} and {eta}{sub sun} improved when the three different dyes (yellow and red cyanine dyes, and blue squarylium cyanine dye) were adsorbed simultaneously on a TiO2 electrode, as compared with the J{sub sc} and {eta}{sub sun} of the TiO2 electrodes adsorbed by each single dye. The maximum {eta}{sub sun} was 3.1 % (AM-l.5, 100 mW/cm{sup -2}). The J{sub sc} and {eta}{sub sun} were influenced by the solvents for the dye adsorption on the TiO{sub 2} electrode, and the efficiencies were improved by the addition of some cholic acids into the dye solution for adsorption. The electron transfer and/or the energy transfer from the red cyanine dye to the blue cyanine dye was observed on a SiO{sub 2} film using emission spectroscopy, suggesting a strong interaction between two dyes. The J-like aggregates of the blue cyanine dyes hardly showed sensitization efficiency. (Author)

  8. Radiation chemistry of cyanine dyes: Oxidation and reduction of merocyanine 540. [Accelerated electrons

    Energy Technology Data Exchange (ETDEWEB)

    Harriman, A. (Univ. of Texas, Austin (United States)); Shoute, L.C.T.; Neta, P. (National Inst. of Standards and Technology, Gaithersburg, MD (United States))

    1991-03-21

    Merocyanine 540 (MC) shows promise as a treatment for certain types of leukemia. It is shown that MC readily undergoes one-electron reduction under pulse radiolytic conditions. The {pi}-radical anion, produced by reduction with hydrated electrons and 2-hydroxypropyl radicals, disproportionates rapidly (k = 1.9 {times} 10{sup 9} M{sup {minus}1}s{sup {minus}1}) under anaerobic conditions but reduces O{sub 2} to superoxide ions (k = 1.6 {times} 10{sup 9} M{sup {minus}1}s{sup {minus}1}) in aerated solution. The dye reacts with trichloromethylperoxyl radicals (k = 9 {times} 10{sup 8} M{sup {minus}1}s{sup {minus}1}) to form several products, one of which is believed to be an adduct formed by addition of CCl{sub 3}OO{sup {sm bullet}} to the bridgehead carbon atom of the benzoxazole subunit. This species decays via first-order kinetics (k = 4.0 {times} 10{sup 3} s{sup {minus}1}) under pulse radiolytic conditions to form cleavage products. A second primary product is believed to arise from addition of CCl{sub 3}O{sub 2}{sup {sm bullet}} to the polymethine chain to form an {alpha}-amino carbon-centered radical capable of reducing O{sub 2} to superoxide ions. Preliminary studies indicate that the breakdown products are cytotoxic and could be important intermediates for the known antiviral activity of MC.

  9. Characteristics of Intramolecular Charge Transfer by J-Aggregates in Merocyanine Dye LB Films.

    Science.gov (United States)

    Yang, Chang Heon; Kwon, Young-Soo; Shin, Hoon-Kyu

    2016-06-01

    In this study, for the development of future molecular electronic devices, we have investigated the characteristics of the aggregates of Langmuir-Blodgett films. The characteristics of intramolecular charge transfer by J-aggregates in merocyanine dye LB films have been studied experimentally by using UV irradiation and heat treatment. In addition to intramolecular charge transfer, we also studied the conjugation and energy changes of the molecules. In case a dye is thinned by LB method, the alkyl chain is often displaced in order to form a mono-molecular film with ease. Since the molecular association form is often made by self-organization of molecules themselves, in case the dye and the alkyl chain are strongly bonded by the covalent bond, it may be said that the properties of the LB film to be built up are almost determined at the time of synthesis of film-forming molecules. Meanwhile, since, in case LB film is fabricated by the diffusion absorption method, the cohesive force between the water-soluble dye and the surface-active mono-molecular film is electrostatic, the dye molecule can move relatively freely on the air/water interface, which may be regarded as a two-dimensional crystal growth process.

  10. Projected shell model description for nuclear isomers

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Y. [Department of Physics, Shanghai Jiao Tong University, Shanghai 200240, Popular Republic (China)

    2008-12-15

    The study of nuclear isomer properties is a current research focus. To describe isomers, we present a method based on the Projected Shell Model. Two kinds of isomers, {kappa}-isomers and shape isomers, are discussed. For the {kappa}-isomer treatment, {kappa}-mixing is properly implemented in the model. It is found however that in order to describe the strong {kappa}-violation more efficiently, it may be necessary to further introduce triaxiality into the shell model basis. To treat shape isomers, a scheme is outlined which allows mixing those configurations belonging to different shapes. (Author)

  11. Formation of Merocyanine Self-Assembled Monolayer and Its Nonlinear Optical Properties Probed by Second-Harmonic Generation and Surface Plasmon Resonance

    Science.gov (United States)

    Tsuboi, Kazuma; Seki, Kazuhiko; Ouchi, Yukio; Fujita, Katsuhiko; Kajikawa, Kotaro

    2003-02-01

    Nonlinear optical responses of a self-assembled monolayer (SAM) containing merocyanine chromophore, 1-alkyl-4-(4-hydroxystyryl) pyridinium bromide (HSP), on gold in water and in ethanol were studied by second-harmonic generation (SHG). The pH dependence of the SHG response clearly showed a solvatochromic characteristic of the merocyanine from a protonated form to a zwitterionic form. A large second-order susceptibility χzzz=5.0× 10-7 esu (2.1× 102 pm/V) was found in a basic solution of ethanol where the merocyanine is in the zwitterionic form. Combination of the SHG and surface plasmon resonance (SPR) spectroscopy measurements also provides us with details of the formation process of the merocyanine SAMs in the ethanol solution of the HSP-terminated-alkyldisulfide, ω,ω\\prime-dithiodi[1-undecyl-4-(4-hydroxystyryl)pyridinium bromide](HSPC11SS). A considerable difference was found in the kinetics between SPR and SHG, because SHG probes the molecules in a noncentrosymmetric fashion on the gold surface while SPR probes the optical thickness of the film. The difference enabled us to separate the chemisorption from the physisorption in the adsorption process. Interestingly, both probes showed slower kinetics in the solution of higher concentration, suggesting association of the disulfide molecules in the solution of high concentration.

  12. Can voltammetry distinguish glycan isomers?

    Czech Academy of Sciences Publication Activity Database

    Trefulka, Mojmír; Paleček, Emil

    2015-01-01

    Roč. 69, č. 1 (2015), s. 241-244 ISSN 0366-6352 R&D Projects: GA ČR(CZ) GAP301/11/2055 Institutional support: RVO:68081707 Keywords : oligosaccharide isomers * Os(VI) complexes * chemical modification Subject RIV: BO - Biophysics Impact factor: 1.326, year: 2015

  13. "Star" morphologies of charged nanodrops comprised of conformational isomers

    Science.gov (United States)

    In Oh, Myong; Paliy, Maxim; Consta, Styliani

    2018-01-01

    We study the spatial distribution of conformational isomers surrounding a central macroion in a charged droplet with linear dimensions in the nanometer range. Dimethyl carbonate and formic acid are selected as typical solvents that undergo isomerization and a charged buckyball (C60) is selected as a representative example of a macroion. The study is performed by atomistic molecular dynamics simulations. We find that when the charge of the buckyball is above a threshold value, it induces the formation of concentric shells of different conformational isomers surrounding the macroion. The presence of layers with different dielectric properties necessitates the use of different state equations for the solvent polarization in each layer. We find that at a high charge state of the buckyball, the nearest layer to the macroion comprises the conformers with the highest dipole moment. The interface of the outer layers of conformers is characterized by "ray"-forming structures of the higher dielectric constant isomers penetrating into the layer of the lowest dielectric constant isomers. For high values of the solvent dielectric constant, the charged droplet acquires a "star"-like global shape. We demonstrate that these distinct droplet structures are a manifestation of charge-induced instability. We describe this simulation-based phenomenology by an analytical theory that supports this conclusion. The findings suggest new experimental research venues that may explore the reactivity and assembly of molecules within regions of different dielectric properties in droplets.

  14. Treatment of isomers in nucleosynthesis codes

    Science.gov (United States)

    Reifarth, René; Fiebiger, Stefan; Göbel, Kathrin; Heftrich, Tanja; Kausch, Tanja; Köppchen, Christoph; Kurtulgil, Deniz; Langer, Christoph; Thomas, Benedikt; Weigand, Mario

    2018-03-01

    The decay properties of long-lived excited states (isomers) can have a significant impact on the destruction channels of isotopes under stellar conditions. In sufficiently hot environments, the population of isomers can be altered via thermal excitation or de-excitation. If the corresponding lifetimes are of the same order of magnitude as the typical time scales of the environment, the isomers have to be treated explicitly. We present a general approach to the treatment of isomers in stellar nucleosynthesis codes and discuss a few illustrative examples. The corresponding code is available online at http://exp-astro.de/isomers/.

  15. Isomers chart; Table des isomeres

    Energy Technology Data Exchange (ETDEWEB)

    Dupont-Gautier, P.; Chantelot, S.; Moisson, N. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1967-07-01

    The nuclear isomers are nuclides offering the same mass number and the same atomic number, but different energy levels. In the following chart the zero energy ground states are omitted and the metastable isomers, i.e. of non-zero energy, known and of measurable lifetime, are listed. The lower limit of this lifetime was set here to 0.1 x 10{sup -6} s. The various isomers were classified in increasing lifetimes. (authors) [French] Les isomeres nucleaires sont des nucleides presentant le meme nombre de masse et le meme numero atomique, mais des niveaux energetiques differents. Dans la table suivante, on a neglige les etats fondamentaux d'energie nulle et on a recense les isomeres metastables, c'est-a-dire d'energie non nulle, connus et de periode mesurable. La limite inferieure de cette periode a ete fixee ici a 0,1 x 10{sup -6} s. Les differents isomeres ont ete classes par periodes croissantes. (auteurs)

  16. Atlas of nuclear isomers and their systematics

    International Nuclear Information System (INIS)

    Jain, Ashok Kumar; Maheshwari, Bhoomika

    2015-01-01

    Isomers can be viewed as a separate class of nuclei and offer interesting possibilities to study the behavior of nuclei under varied conditions of excitation energy, spin, life-time and particle configuration. We have completed a horizontal evaluation of nuclear isomers and the resulting data set contains a wealth of information which offers new insights in the nuclear structure of a wide range of configurations, nuclei approaching the drip lines etc. We now have reliable data on approximately 2460 isomers having a half-life ≥ 10 ns. A few of the systematics of the properties of nuclear isomers like excitation energy, half-life, spin, abundance etc. will be presented. The data set of semi-magic isomers strongly supports the existence of seniority isomers originating from the higher spin orbitals. (author)

  17. Optical absorption spectra of Ag-11 isomers

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; Fernandez, E. M.

    2009-01-01

    The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground...

  18. Comparative aerobic soil metabolism of fenvalerate isomers

    International Nuclear Information System (INIS)

    Lee, P.W.; Powell, W.R.; Stearns, S.M.; McConnell, O.J.

    1987-01-01

    An aerobic soil metabolism study was conducted to determine the degradation rate of individual isomer of fenvalerate and to assess the potential influence of the RS, SR, and RR isomers to the metabolism of the most insecticidally active SS isomer. Individual [phenoxyphenyl- 14 C]fenvalerate isomers degraded at different rates. The calculated half-lives for the SR, RS, SS, and RR isomers in fenvalerate (racemic mixture) were 155, 89, 108, and 178 days, respectively. The resolved SS isomer degraded at a faster rate with a calculated half-life of 74 days. Racemization of the resolved SS isomer did not occur. A qualitative difference in the chemical nature of soil metabolites between fenvalerate and the resolved SS isomer was not observed. Soil degradation products, phenoxybenzoic acid, 3-(4-hydroxyphenoxy)benzoic acid, and 4'-OH- and CONH 2 -fenvalerate, each accounted for less than 2% of the applied radioactivity. Extensive degradation of these soil metabolites was evident since approximately 50% of the applied radioactivity was recovered as 14 C 2 and as unextractable bound residues

  19. Limiting-dilution analysis for the determination of leukemic cell frequencies after bone marrow decontamination with mafosfamide or merocyanine 540

    International Nuclear Information System (INIS)

    Porcellini, A.; Talevi, N.; Marchetti-Rossi, M.T.; Palazzi, M.; Manna, A.; Sparaventi, G.; Delfini, C.; Valentini, M.

    1987-01-01

    To stimulate a leukemia remission marrow, cell suspensions of normal human bone marrow were mixed with human acute lymphoblastic or myelogenous leukemic cells of the CCRF-SF, Nalm-6, and K-562 lines. The cell mixtures were incubated in vitro with mafosfamide (AZ) or with the photoreactive dye merocyanine 540 (MC-540). A quantity of 10(4) cells of the treated suspensions was dispensed into microculture plates, and graded cell numbers of the line used to contaminate the normal marrow were added. Limiting-dilution analysis was used to estimate the frequency of leukemia cells persisting after treatment with the decontaminating agents. Treatment with AZ or MC-540 produced a total elimination (ie, 6 logs or 5.3 logs respectively) of B cell acute leukemia cells (CCRF-SB), whereas nearly 1.7 logs and 2 logs of K-562 acute myelogenous blasts were still present in the cell mixtures after treatment with MC-540 and AZ, respectively. Treatment of the Nalm-6-contaminated cell mixtures with AZ resulted in 100% elimination of clonogenic cells, whereas nearly 80% decontamination was obtained with MC-540. Our results suggest that treatment with AZ could be an effective method of eliminating clonogenic tumor cells from human bone marrow. MC-540, shown by previous studies to spare sufficient pluripotential stem cells to ensure hemopoietic reconstitution in the murine model and in clinical application, has comparable effects and merits trials for possible clinical use in autologous bone marrow transplantation

  20. Limiting-dilution analysis for the determination of leukemic cell frequencies after bone marrow decontamination with mafosfamide or merocyanine 540

    Energy Technology Data Exchange (ETDEWEB)

    Porcellini, A.; Talevi, N.; Marchetti-Rossi, M.T.; Palazzi, M.; Manna, A.; Sparaventi, G.; Delfini, C.; Valentini, M.

    1987-11-01

    To stimulate a leukemia remission marrow, cell suspensions of normal human bone marrow were mixed with human acute lymphoblastic or myelogenous leukemic cells of the CCRF-SF, Nalm-6, and K-562 lines. The cell mixtures were incubated in vitro with mafosfamide (AZ) or with the photoreactive dye merocyanine 540 (MC-540). A quantity of 10(4) cells of the treated suspensions was dispensed into microculture plates, and graded cell numbers of the line used to contaminate the normal marrow were added. Limiting-dilution analysis was used to estimate the frequency of leukemia cells persisting after treatment with the decontaminating agents. Treatment with AZ or MC-540 produced a total elimination (ie, 6 logs or 5.3 logs respectively) of B cell acute leukemia cells (CCRF-SB), whereas nearly 1.7 logs and 2 logs of K-562 acute myelogenous blasts were still present in the cell mixtures after treatment with MC-540 and AZ, respectively. Treatment of the Nalm-6-contaminated cell mixtures with AZ resulted in 100% elimination of clonogenic cells, whereas nearly 80% decontamination was obtained with MC-540. Our results suggest that treatment with AZ could be an effective method of eliminating clonogenic tumor cells from human bone marrow. MC-540, shown by previous studies to spare sufficient pluripotential stem cells to ensure hemopoietic reconstitution in the murine model and in clinical application, has comparable effects and merits trials for possible clinical use in autologous bone marrow transplantation.

  1. Isomer effect on the near-infrared electrochromism of anthraquinone imides

    International Nuclear Information System (INIS)

    Yao, Bin; Chen, Fengkun; Jiang, Hong; Zhang, Jie; Wan, Xinhua

    2015-01-01

    Graphical abstract: Display Omitted - Highlights: • Two pairs of unsubstituted isomers (Ia and Ib) and nitro-substituted isomers (IIa and IIb) of anthraquinone imides (AQIs), which are a unique type of cathodically-colouring NIR electrochromic materials bearing both quinone and imide moieties, were synthesized. • Isomer effect on the NIR electrochromism of n-type optoelectric materials was first approached. • A meaningful reference to design cathodically active NIR EC materials, in which the molecular planarity and the orientation of polar groups are two key elements must to be carefully considered, is provided. - Abstract: To deeply explore the interplay between molecular structure and near-infrared electrochromism of anthraquinone imides, two pairs of unsubstituted isomers (Ia and Ib) and nitro-substituted isomers (IIa and IIb) of anthraquinone imides were synthesized, in which the molecules Ia and IIa took more linear shapes than Ib and IIb. Cyclic voltammetry and spectroelectrochemistry were combined to investigate their electrochemical properties. Cyclic voltammetry showed that Ib and IIb revealed decreased first reduction potentials and low cyclic stability compared to their isomers, indicating that the isomerization weakened the stabilization effect. Upon one-electron reduction, both the absorption wavelengths and absorption intensities of radical anions were greatly dependent on the structures of isomers. The radical anions of Ia, IIa, and IIb illustrated NIR absorptions peaked at 820, 1260, and 1380 nm, respectively, but that of Ib exhibited only weak absorption in the visible region centered at 660 nm. Gaussian calculations suggested that the electrons were delocalized over the whole molecular skeletons of Ia and IIa radical anions, but the effective conjugation length was interrupted on the imide section in both Ib and IIb. The isomer effects on the effective conjugation length and electron density distribution were considered to rationalize the

  2. Generation of disk-like domains with nanometer scale thickness in merocyanine dye LB film induced by hydrothermal treatment.

    Science.gov (United States)

    Miura, Yasuhiro F; Sano, Motoaki; Sugimoto, Tsuneyoshi

    2013-10-17

    We have characterized the binary LB films of merocyanine dye (MS) and arachidic acid (C20) before and after hydrothermal treatment (HTT), which is defined as a heat treatment under relative humidity of 100%, focusing on the morphology studied by bright field (BF) microscopy and fluorescence (FL) microscopy. BF microscopy observation has revealed that the as-deposited MS-C20 binary LB film is found to emit intense red fluorescence over the whole film area by 540-nm excitation. Since the surface image is almost featureless, it is considered that the crystallite sizes of J-aggregate are less than 10 μm. Interestingly, after HTT, round-shaped domains are observed in the LB systems, and the sizes are reaching 100 μm in diameter. Crystallites of J-aggregate, which are bluish in color and emit intense red fluorescence, tend to be in the round domains. We have observed two different types of domains, i.e., blue-rimmed domains and white-rimmed domains, which are postulated to be confined in the inner layers and located at the outermost layer, respectively. The thickness of the domains is equal to or less than that of the double layer of the MS-C20 mixed LB film, which is ca. 5.52 nm. The molecular order of MS in the J-aggregate is improved by the HTT process leading to the significant sharpening of the band shape together with the further red shift of the band (from 590 to 594 nm up to 597 to 599 nm). The reorganized J-band is considered to be 'apparently' isotropic owing to the random growth of the J-aggregate in the film plane. We consider that the lubrication effect by the presence of water molecules predominates in the HTT process.

  3. K isomers as probes of nuclear structure

    Science.gov (United States)

    Tandel, S. K.

    2014-08-01

    K isomers are studied in Pu and Cm isotopes, and also in Hf and W nuclei. Many high-K states, several of which are isomeric, are identified. Lifetime measurements spanning the ns-s range have been performed, and decay paths of isomers established. Rotational bands built on high-K states are also identified in many cases. Isomer decays are considerably hindered in many instances, both in the A≈180 and 250 regions indicating that K is an approximately conserved quantum number. High-K states become the favored excitation mode at high spins in the A≈180 region. The energies of the 2-quasiparticle high-K states in Cm isotopes suggest the presence of a deformed subshell gap at N=152.

  4. K isomers as probes of nuclear structure

    Energy Technology Data Exchange (ETDEWEB)

    Tandel, S. K., E-mail: sujit.tandel@cbs.ac.in [UM-DAE Centre for Excellence in Basic Sciences, Mumbai 400098 (India)

    2014-08-14

    K isomers are studied in Pu and Cm isotopes, and also in Hf and W nuclei. Many high-K states, several of which are isomeric, are identified. Lifetime measurements spanning the ns-s range have been performed, and decay paths of isomers established. Rotational bands built on high-K states are also identified in many cases. Isomer decays are considerably hindered in many instances, both in the A≈180 and 250 regions indicating that K is an approximately conserved quantum number. High-K states become the favored excitation mode at high spins in the A≈180 region. The energies of the 2-quasiparticle high-K states in Cm isotopes suggest the presence of a deformed subshell gap at N=152.

  5. Crystal field contribution to Moessbauer isomer shift

    International Nuclear Information System (INIS)

    Singh, Avtar; Shrivastava, K.N.

    1975-01-01

    A new temperature dependent contribution to isomer shift in Fe 3+ (ed 5 ) is proposed. The static crystal field gives rise to a new second-order correction to Mossbauer resonance line and crystal field hamiltonian Hc=B 2 0 Y 2 0 +B 2 2 (Y 22 ) usually used in the study of electronspin resonance is employed. The electron charge density at the nuclear site, responsible for the isomer shift is affected by the crystal field through excitation of an electron from 3d to 4s subshell. Further, temperature dependence is analysed by the variation of crystal field parameters with temperature which occurs as a square in the final result. The importance of the sign of the field parameter (KD) is also realised in the isomer shift studies. Although the proposed new second-order contribution to Moessbauer isomer shift is static in nature, yet it is expected to have important implications in the study of temperature depedence of centre shift of a Moessbauer line. Numerical estimates of the shift are also presented. (author)

  6. phthalocyanine Positional Isomers for Non-linear O

    African Journals Online (AJOL)

    not observed for all isomers as the localization of these chemical shifts are also highly influenced by aggregation. 3.2. Electronic Absorption Spectroscopy, Magnetic Circular. Dichroism ... oxygen atom for the four regio isomers. When comparing the optimized energies of the isomers, no significant difference was observed.

  7. Electric quadruple moments of high-spin isomers in 209Po

    International Nuclear Information System (INIS)

    Ivanov, E.A.; Nicolescu, G.; Plostinaru, D.

    1998-01-01

    calculation of their moments from measured E2 transitions rates. In order to deduce the values of the Q((17/2) - ) and Q((13/2) - ) quadrupole moments of 209 Po we considered a 210 Po calibration based on the fact that the 210 Po(8 + ) isomer is known to have a very pure πh 1/2 8 configuration and the quadrupole moments can be computed from the (8 + →6 + )B(E2) value as Q[ 210 Po(8 + )] = -57 efm 2 . We finally arrive at the values: |Q[ 209 Po(17/2) - ]| = 67(5) efm 2 and |Q[ 209 Po(13/2) - ]| = 26(6) efm 2 . The sign of the ratio Q((17/2) - )/Q((13/2) - ) was determined as being positive. The absolute signs of the moments cannot be determined from our experiment but they are expected to be negative. A measurement of the quadrupole interaction of 209 Po nuclei in a Bi single crystal target yielded the quadrupole coupling constants for 209 Po((17/2) - ) and 209 Po((13/2) - ) isomers employing a two-level analysis formalism. In summarizing our results for the investigation of quadrupole moments of isomeric states in Po nuclei near N=126, we have observed a quite large increase in the quadrupole moments when the p 1/2 neutron shell is empty. Within the concept of the deformed single particle model the larger polarization is interpreted as an increased preference for deformation. (authors)

  8. Isomer Energy Source for Space Propulsion Systems

    Science.gov (United States)

    2004-03-01

    absorbed during formation is reradiated, but in rare situations, such as with this hafnium isomer, “large differences between the spins of the isomeric...The ROVER & NERVA program generated a proven reactor design that was actually slated for a mission to Mars after the U.S. successfully landed on the...1.380 Sm Lanthanide 7.353 1,345 0.133 Hf Transition Metal 13.31 2,506 0.230 HfC Ceramic 12.2 4,173 ? Ta Transition Metal 16.65 3,290 0.575 TaC

  9. Multicomponent adsorption of hexane isomers in MOFs

    OpenAIRE

    Bárcia, Patrick da Silva; Silva, José A.C.; Rodrigues, A.E.

    2010-01-01

    We have performed a set of screening studies for quaternary mixtures of hexane isomers n-hexane (nHEX), 3-methylpentane (3MP), 2,3-dimethylbutane (23DMB) and 2,2-dimethylbutane (22DMB) in two porous rigid MOFs (figure 1). First, the chromium trimesate MIL-100(Cr),1 which possesses mesoporous cages accessible through 5-9 Å microporous windows, and secondly the zirconium terephthalate UiO-66,2 which exhibits a 3D microporous (5-10 Å) pore system. The temperature range 323-423 K and partial pres...

  10. The interstellar chemistry of H2C3O isomers.

    Science.gov (United States)

    Loison, Jean-Christophe; Agúndez, Marcelino; Marcelino, Núria; Wakelam, Valentine; Hickson, Kevin M; Cernicharo, José; Gerin, Maryvonne; Roueff, Evelyne; Guélin, Michel

    2016-03-11

    We present the detection of two H 2 C 3 O isomers, propynal and cyclopropenone, toward various starless cores and molecular clouds, together with upper limits for the third isomer propadienone. We review the processes controlling the abundances of H 2 C 3 O isomers in interstellar media showing that the reactions involved are gas-phase ones. We show that the abundances of these species are controlled by kinetic rather than thermodynamic effects.

  11. Polarization Optics

    OpenAIRE

    Fressengeas, Nicolas

    2010-01-01

    The physics of polarization optics *Polarized light propagation *Partially polarized light; DEA; After a brief introduction to polarization optics, this lecture reviews the basic formalisms for dealing with it: Jones Calculus for totally polarized light and Stokes parameters associated to Mueller Calculus for partially polarized light.

  12. Patchouli alkohol isomers pogostemon herba predicted virtually

    Directory of Open Access Journals (Sweden)

    Sentot Joko Raharjo

    2014-02-01

    Full Text Available The aim of our research is predicting the alpha-patchouli alcohol isomer Pogostemon Herba as inhibitors cyclooxygenase (COX-1 and COX-2 isoenzymes. The data for the alpha-patchouli alcohol isomer (CD521903, CD442384, and/or CD6432585 Pogostemon Herba were explored from the pubchem database. Molecular interaction studies with COX-1 and COX-2 from mouse were done using the molecular docking tools Hex 6.12 and LeadIT2 Bisolve. The analysis of the alpha-patchouli alcohol compounds of patchouli oil showed that alpha-Patchouli alcohol (CD521903 binds to COX-1 at active sites including: LEU223B, ASP228B, LEU237B, ARG 332B, TRP 138A, GLU 139A, SER 142A, ASN 143A, and the interaction to COX-2 at active site including: GLN 289B, GLU 290B, ARG 222B, LYS 211B, THR 212B, HIS 214B, ASN 382B, HEM682B, GLN 454B, HIS 386B, TRP 387B, HIS 388B, VAL 274B, GLN 203B, VAL 291B, VAL 295B. The interaction hydrogen bond energy between alpha-patchouli alcohol: (CD521903-COX-1 complexes (-4 kJ/mol and CD521903-COX-2 complexes (-8 kJ/ mol by LeadIT2 Biosolve. This suggests alpha-patchouli alcohol CD521903 as candidate for a selective COX-2 inhibitor. These in silico data need further analyses of biological function activity

  13. Search for isomers in nuclei near N = 50

    International Nuclear Information System (INIS)

    Taras, P.; Haas, B.; Merdinger, J.C.; Styczen, J.

    1979-01-01

    Targets of sup (58, 60, 61, 62, 64) Ni, Co, and Cu have been bombarded with 42 MeV 16 O beams. Several isomers were produced but no new isomer was found, in particular in 74 Kr which is expected to be a good candidate for yrast traps in the N = 50 region. (author)

  14. Stereospecific Synthesis of the Geometrical Isomers of a Natural Product

    Science.gov (United States)

    Grove, T.; DiLella, D.; Volker, E.

    2006-01-01

    Stereospecific synthesis of a geometrical isomer is not a common topic for the introductory organic chemistry laboratory. We have developed and tested an experiment for the synthesis of (Z) and (E) isomers that has been performed successfully by undergraduate students. The experiment is presented to the students as a puzzle in which they must…

  15. Simultaneous Determination of Two Isomers of Asarone in Piper ...

    African Journals Online (AJOL)

    Purpose: To develop a rapid and reliable reverse phase high performance liquid chromatography (RP-. HPLC) method to quantify the two isomers of asarones in P. sarmentosum extracts using two different columns under similar analytical conditions. Methods: Two isomers, α- and β-asarone, were analyzed using two types ...

  16. Anaerobic Degradation of Lindane and Other HCH Isomers

    NARCIS (Netherlands)

    Mehboob, F.; Langenhoff, A.A.M.; Schraa, G.; Stams, A.J.M.

    2013-01-01

    Lindane (¿-HCH) is a pesticide that has mainly been used in agriculture. Lindane and the other HCH isomers are highly chlorinated hydrocarbons. The presence of a large number of electron withdrawing chlorine groups makes some of the HCH isomers rather recalcitrant in oxic environments. Especially

  17. Phototransformations of dinitropyrene isomers on models of the atmospheric particulate matter.

    Science.gov (United States)

    Arce, Rafael; Morel, María

    2013-08-01

    The 1,6 and 1,8-dinitropyrenes (DNP) isomers are strong mutagens and carcinogens encountered in diesel exhaust and airborne particles. Relative photodegradation rates were determined and some products were characterized when these isomers were irradiated adsorbed onto models of the atmospheric matter. These are compared to their photochemical behavior in a polar nonprotic solvent. The 1,8-DNP isomer is three times more reactive than the 1,6-DNP when irradiated adsorbed onto silica gel surfaces, while the reverse order is observed in solution, demonstrating the influence of structural differences and environmental effects on the photoreactivity. Oxygen is a key factor in the formation of pyrenediones from 1,8-DNP in solution and on silica gel which is not the case for 1,6-DNP. The average pore diameter (2.5 versus 6.0 nm) of the silica surfaces induces a significant change in the product distribution and relative yields of 1,8-DNP because pyrenediones or 8-hydroxy-1-nitropyrene are not produced in the smaller pore silica. A 6-hydroxy-1-nitropyrene product is observed both in acidic alumina and silica (6.0 nm) surfaces. On acidic alumina the rates of phototransformation of the isomers are equal, a significant increase in the relative yield of the hydroxynitropyrene product is observed compared to the silica and unidentified products in which the absence of NO 2 and pyrene absorption bands were observed, demonstrating the surface effect on the photodegradation. Overall, the presence of some products indicates the occurrence of a nitro-nitrite rearrangement on the surface with the participation of a pyrenoxy radical as their precursor.

  18. Short-lived isomers in 94Rb

    International Nuclear Information System (INIS)

    Tsekhanovich, I.; Dare, J. A.; Smith, A. G.; Varley, B. J.; Simpson, G. S.; Urban, W.; Soldner, T.; Jolie, J.; Linnemann, A.; Orlandi, R.; Smith, J. F.; Scherillo, A.; Rzaca-Urban, T.; Zlomaniec, A.; Dorvaux, O.; Gall, B. J. P.; Roux, B.

    2008-01-01

    The medium-spin structure of the neutron-rich, odd-odd nucleus 94 Rb was studied by means of γ-ray spectroscopy. Excited levels were populated in the neutron-induced fission of 235 U and in the spontaneous fission of 252 Cf and 248 Cm. Two isomeric states were found at 1485.2 and 2074.8 keV with half-lives of 18 and 107 ns, respectively. The probable structures of the two isomers involve the fully aligned, proton-neutron configurations [π(g 9/2 ) x ν(g 7/2 )] 8 + and [π(g 9/2 ) x ν(h 11/2 )] 10 - , respectively. These new data give information on the single-particle energies in the region

  19. Complete Hexose Isomer Identification with Mass Spectrometry

    Science.gov (United States)

    Nagy, Gabe; Pohl, Nicola L. B.

    2015-04-01

    The first analytical method is presented for the identification and absolute configuration determination of all 24 aldohexose and 2-ketohexose isomers, including the D and L enantiomers for allose, altrose, galactose, glucose, gulose, idose, mannose, talose, fructose, psicose, sorbose, and tagatose. Two unique fixed ligand kinetic method combinations were discovered to create significant enough energetic differences to achieve chiral discrimination among all 24 hexoses. Each of these 24 hexoses yields unique ratios of a specific pair of fragment ions that allows for simultaneous determination of identification and absolute configuration. This mass spectrometric-based methodology can be readily employed for accurate identification of any isolated monosaccharide from an unknown biological source. This work provides a key step towards the goal of complete de novo carbohydrate analysis.

  20. Optimization of C20 isomers structure

    International Nuclear Information System (INIS)

    Ndjaka, J.M.B.; Charlier, J.C.

    2001-07-01

    We have performed geometry optimization of various possible planar and three-dimensional C 20 geometries. The planar structures considered include a linear chain, a monoclinic ring, and a bicyclic bow tie; while the three-dimensional geometric; consisted of a bowl or corranulene structure and a fullerene cage. In agreement with Wang et al MP2's calculations, our results predict the corranulene bowl to be the lowest energy structure. From the ground state geometry to the highest energy, considered C 20 structures, listed in increasing energy, are bowl, cage, bow tie, ring and chain. For the ring and bow tie isomers, the shape of the optimized structure deviates from that of the initial configuration; while the shape of the optimised bowl, cage and chain remain unchanged. (author)

  1. Identification of isomers of organometallic compounds

    International Nuclear Information System (INIS)

    Mbue, Sona Peter; Cho, Kwang Hwi

    2015-01-01

    The yaChI is a newly suggested chemical naming system. However, yaChI is a derivative of the IUPAC InChI with a modified algorithm that includes additional layers of chemical structure information. Consequently, yaChI string contains more structure details while preserving the original structure file information and can distinctively identify very closely related compounds reducing the chances of ambiguity in chemical compound databases as opposed to the general SMILES, InChI, and InChIKey. This study examines the relative performances of yaChI, SMILES, InChI, and InChIKey in duplication check for isomers. For simplicity, a small data set of 28 organometallic compounds (structural isomers of Rh-containing compounds) subdivided into three major groups (A, B, and C) based on the number and the type of ligands attached to the center atom was used to study the performances of each encoding scheme in describing chemical structures. SMILES, InChI, and InChIKey were generated using Openbabel and RDkit, whereas yaChI strings were generated with in-house program. Strings generated from SMILES, InChI, and InChIKey though different, resulted to only three unique chemical identifiers, with each belonging to one group indicating the presence of only three unique compounds in the study data. However, yaChI results depicted that all structures in each group are indeed unique and differ among themselves as well as those from other groups, mapping each structure with a unique identifier given a total number of 28 unique structures in the study data. This high perception of yaChI probe justifies its accuracy and reliability in duplication check among closely related compounds especially structures exhibiting stereo properties

  2. Thermal behavior of J-aggregates in a Langmuir-Blodgett film of pure merocyanine dye investigated by UV-visible and IR absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Tateno, Shinsuke; Maio, Ari; Ozaki, Yukihiro

    2009-03-05

    We have characterized the structure of J-aggregate in a Langmuir-Blodgett film of pure merocyanine dye (MS18) fabricated under an aqueous subphase containing a cadmium ion (Cd2+) and have investigated its thermal behavior by UV-visible and IR absorption spectroscopy in the range from 25 to 250 degrees C with a continuous scan. The results of both UV-visible and IR absorption spectra indicate that temperature-dependent changes in the MS18 aggregation state in the pure MS18 system are closely and mildly linked with the MS18 intramolecular charge transfer and the behavior of the packing, orientation, conformation, and thermal mobility of MS18 hydrocarbon chain, respectively. The J-aggregate in the pure MS18 system dissociates from 25 to 150 degrees C, and the dissociation temperature at 150 degrees C is higher by 50 degrees C than that in the previous MS18- arachidic acid (C20) binary system. The lower dissociation temperature in the binary system originates from the fact that temperature-dependent structural disorder of cadmium arachidate (CdC20), being phase-separated from MS18, has an influence on the dissociation of J-aggregate. From 160 to 180 degrees C, thermally induced blue-shifted bands, caused by the oligomeric MS18 aggregation, appear at around 520 nm in the pure MS18 system by contraries, regardless of the lack of driving force by the melting phenomenon of CdC20. The temperature at which the 520 nm bands occur is in good agreement with the melting point (160 degrees C) of hydrocarbon chain in MS18 with Cd2+, whereas its chromophore part is clearly observed to melt near 205 degrees C by UV-visible spectra. Therefore, it is suggested that the driving force that induces the 520 nm band in the pure MS18 system arises from the partial melting of hydrocarbon chain in MS18 with Cd2+.

  3. Properties of neutron-rich hafnium high-spin isomers

    CERN Multimedia

    Tungate, G; Walker, P M; Neyens, G; Billowes, J; Flanagan, K; Koester, U H; Litvinov, Y

    It is proposed to study highly-excited multi-quasiparticle isomers in neutron-rich hafnium (Z=72) isotopes. Long half-lives have already been measured for such isomers in the storage ring at GSI, ensuring their accessibility with ISOL production. The present proposal focuses on:\\\\ (i) an on-line experiment to measure isomer properties in $^{183}$Hf and $^{184}$Hf, and\\\\ (ii) an off-line molecular breakup test using REXTRAP, to provide Hf$^{+}$ beams for future laser spectroscopy and greater sensitivity for the future study of more neutron-rich isotopes.

  4. Detection of Actinides via Nuclear Isomer De-Excitation

    Energy Technology Data Exchange (ETDEWEB)

    Francy, Christopher J. [Oregon State Univ., Corvallis, OR (United States)

    2009-07-01

    This dissertation discusses a data collection experiment within the Actinide Isomer Identification project (AID). The AID project is the investigation of an active interrogation technique that utilizes nuclear isomer production, with the goal of assisting in the interdiction of illicit nuclear materials. In an attempt to find and characterize isomers belonging to 235U and its fission fragments, a 232Th target was bombarded with a monoenergetic 6Li ion beam, operating at 45 MeV.

  5. Carotenoids and Their Isomers: Color Pigments in Fruits and Vegetables

    Directory of Open Access Journals (Sweden)

    Yueming Jiang

    2011-02-01

    Full Text Available Fruits and vegetables are colorful pigment-containing food sources. Owing to their nutritional benefits and phytochemicals, they are considered as ‘functional food ingredients’. Carotenoids are some of the most vital colored phytochemicals, occurring as all-trans and cis-isomers, and accounting for the brilliant colors of a variety of fruits and vegetables. Carotenoids extensively studied in this regard include β-carotene, lycopene, lutein and zeaxanthin. Coloration of fruits and vegetables depends on their growth maturity, concentration of carotenoid isomers, and food processing methods. This article focuses more on several carotenoids and their isomers present in different fruits and vegetables along with their concentrations. Carotenoids and their geometric isomers also play an important role in protecting cells from oxidation and cellular damages.

  6. Simultaneous Determination of Two Isomers of Asarone in Piper ...

    African Journals Online (AJOL)

    Simultaneous Determination of Two Isomers of Asarone in Piper sarmentosum Roxburgh (Piperaceae) Extracts using Different Chromatographic Columns. Mohd Shahrul Ridzuan Hamil, Abdul Hakeem Memon, Amin Malik Shah Abdul Majid, Zhari Ismail ...

  7. Inmersiones isométricas en variedades riemannianas

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Marín Arango

    2011-01-01

    Full Text Available Este trabajo recapitula la teoría básica de conexiones en fibrados principales y fibrados vectoriales con el fin de aplicar tales teorías al estudio de inmersiones isométricas en variedades riemannianas; por medio de una versión apropiada del teorema de Frobenius mostramos un resultado que generaliza el teorema fundamental de las inmersiones isométricas.

  8. A new high-spin isomer in 195Bi

    International Nuclear Information System (INIS)

    Roy, T.; Mukherjee, G.; Rana, T.K.; Bhattacharya, Soumik; Asgar, Md.A.; Bhattacharya, C.; Bhattacharya, S.; Bhattacharyya, S.; Pai, H.; Madhavan, N.; Bala, I.; Gehlot, J.; Gurjar, R.K.; Jhingan, A.; Kumar, R.; Muralithar, S.; Nath, S.; Singh, R.P.; Varughese, T.; Basu, K.; Bhattacharjee, S.S.; Ghugre, S.S.; Raut, R.; Sinha, A.K.; Palit, R.

    2015-01-01

    A new high-spin isomer has been identified in 195 Bi at the focal plane of the HYbrid Recoil mass Analyser (HYRA) used in the gas-filled mode. The fusion evaporation reactions 169 Tm ( 30 Si, x n) 193, 195 Bi were used with the beam energies on targets of 168 and 146MeV for 6n and 4n channels, respectively. The evaporation residues, separated from the fission fragments, and their decays were detected at the focal plane of HYRA using MWPC, Si-Pad and clover HPGe detectors. The half-life of the new isomer in 195 Bi has been measured to be 1.6(1) μs. The configuration of the new isomer has been proposed and compared with the other isomers in this region. The Total Routhian Surface (TRS) calculations for the three-quasiparticle configurations corresponding to the new isomer suggest an oblate deformation for this isomeric state. The same calculations for different configurations in 195 Bi and for the even-even 194 Pb core indicate that the proton i 13/2 orbital has a large shape driving effect towards oblate shape in these nuclei. (orig.)

  9. A new high-spin isomer in {sup 195}Bi

    Energy Technology Data Exchange (ETDEWEB)

    Roy, T.; Mukherjee, G.; Rana, T.K.; Bhattacharya, Soumik; Asgar, Md.A.; Bhattacharya, C.; Bhattacharya, S.; Bhattacharyya, S.; Pai, H. [Variable Energy Cyclotron Centre, Kolkata (India); Madhavan, N.; Bala, I.; Gehlot, J.; Gurjar, R.K.; Jhingan, A.; Kumar, R.; Muralithar, S.; Nath, S.; Singh, R.P.; Varughese, T. [Inter University Acclerator Centre, New Delhi (India); Basu, K.; Bhattacharjee, S.S.; Ghugre, S.S.; Raut, R.; Sinha, A.K. [UGC-DAE-CSR Kolkata Centre, Kolkata (India); Palit, R. [Tata Institute of Fundamental Research, Department of Nuclear and Atomic Physics, Mumbai (India)

    2015-11-15

    A new high-spin isomer has been identified in {sup 195}Bi at the focal plane of the HYbrid Recoil mass Analyser (HYRA) used in the gas-filled mode. The fusion evaporation reactions {sup 169}Tm ({sup 30}Si, x n) {sup 193,} {sup 195}Bi were used with the beam energies on targets of 168 and 146MeV for 6n and 4n channels, respectively. The evaporation residues, separated from the fission fragments, and their decays were detected at the focal plane of HYRA using MWPC, Si-Pad and clover HPGe detectors. The half-life of the new isomer in {sup 195}Bi has been measured to be 1.6(1) μs. The configuration of the new isomer has been proposed and compared with the other isomers in this region. The Total Routhian Surface (TRS) calculations for the three-quasiparticle configurations corresponding to the new isomer suggest an oblate deformation for this isomeric state. The same calculations for different configurations in {sup 195}Bi and for the even-even {sup 194}Pb core indicate that the proton i{sub 13/2} orbital has a large shape driving effect towards oblate shape in these nuclei. (orig.)

  10. Substitution effects on the absorption spectra of nitrophenolate isomers.

    Science.gov (United States)

    Wanko, Marius; Houmøller, Jørgen; Støchkel, Kristian; Suhr Kirketerp, Maj-Britt; Petersen, Michael Åxman; Nielsen, Mogens Brøndsted; Nielsen, Steen Brøndsted; Rubio, Angel

    2012-10-05

    Charge-transfer excitations highly depend on the electronic coupling between the donor and acceptor groups. Nitrophenolates are simple examples of charge-transfer systems where the degree of coupling differs between ortho, meta and para isomers. Here we report the absorption spectra of the isolated anions in vacuo to avoid the complications of solvent effects. Gas-phase action spectroscopy was done with two different setups, an electrostatic ion storage ring and an accelerator mass spectrometer. The results are interpreted on the basis of CC2 quantum chemical calculations. We identified absorption maxima at 393, 532, and 399 nm for the para, meta, and ortho isomer, respectively, with the charge-transfer transition into the lowest excited singlet state. In the meta isomer, this π-π* transition is strongly redshifted and its oscillator strength reduced, which is related to the pronounced charge-transfer character, as a consequence of the topology of the conjugated π-system. Each isomer's different charge distribution in the ground state leads to a very different solvent shift, which in acetonitrile is bathochromic for the para and ortho, but hypsochromic for the meta isomer.

  11. Microscopical study of K isomers in the nuclear region A ∼ 180

    International Nuclear Information System (INIS)

    Libert, J.; Quentin, P.; Pillet, N.; Ponsa, A.

    1997-01-01

    At present the K isomers are the best candidates for high density energy storage, although one of the major problems resides in the availability of simple and fast storage mechanisms. To respond to this question it is necessary to know thoroughly the structure of the concerned isomers and low energy modes of excitation. Particularly, proper to this type of studies is the region of A ∼ 180, where a large number of K isomers are known at present ( 178 Hf, 179 Hf and 180 Ta). Microscopic calculations using Skyrme SIII plus a simple pairing interaction lead to a good reproduction of certain single particle and collective spectroscopic properties of 178 Hf. In this region the spectroscopic properties are governed by three single proton states (5/2 - , 7/2 - and 9/2 + ) and by two single neutron states (7/2 + , 9/2 - ). The computed quasi-particle spectrum reproduces within 100 keV the energies of the isomeric states 16 + , 14 - , 25/2 - and 9 - . Based on this agreement one can predict a band spectroscopy rich in high K values due to a plenty of possible single particle combinations which have themselves high K value. Particularly, one have to stress the quasi-degeneracy of a K π = 15 + with the 16 + configuration in 178 Hf. Should this prediction experimentally be confirmed interesting consequences have to be expected on the spectroscopy above the 16 + isomer of 178 Hf as well as on the states implied in the decay of this storage state. Actually, 1 MeV above the 16 + state one can note isolated states reachable by parity breaking (or not breaking) transitions which could be mixture of K = 15, 14, 13, etc structures due to Coriolis interaction. The calculation reported are although simple (the approximation of the free quasi-particles on the BCS vacuum of 178 Hf). Under current study are the quantitative consequences of the Coriolis coupling, the decrease of pairing gaps with increasing quasi-particle number, the Hartree-Fock polarization (even and odd under time

  12. Preferential polymerization and adsorption of L-optical isomers of amino acids relative to D-optical isomers on kaolinite templates.

    Science.gov (United States)

    Jackson, T. A.

    1971-01-01

    Experiments on the polymerization of the L- and D-optical isomers of aspartic acid and serine using kaolinite as a catalyst showed that the L-optical isomers were polymerized at a much higher rate than the D-optical isomers; racemic (DL-) mixtures were polymerized at an intermediate rate. The peptides formed from the L-monomers were preferentially adsorbed by the clay. In the absence of kaolinite, no significant or consistent difference in the behavior of the L- and D-optical isomers was observed. In experiments on the adsorption of L- and D-phenylalanine by kaolinite, the L-optical isomer was preferentially adsorbed.

  13. Laser isotope and isomer separations: History and trends

    International Nuclear Information System (INIS)

    Paper will review history and principles of laser isotope and nuclear isomer separation: laser multistep photoionization of isotopic and isomeric atoms, laser IR-UV two-step photodissociation of molecules, laser IR multiphoton photodissociation of polyatomic molecules. The comparison and areas of applications of these methods will be considered. Paper will discuss a present state of art of technology of these methods in practical scale in various countries. In conclusion the trends of research in this field including applications of laser-separated isotopes and isomers will be considered

  14. Theoretical Study of the Diastereofacial Isomers of Aldrin and Dieldrin

    Directory of Open Access Journals (Sweden)

    Zoran Zdravkovski

    2006-02-01

    Full Text Available The Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene givesaldrin but theoretically three other diastereofacial isomers are possible. On oxidation theseisomers can generate eight adducts one of which is known as dieldrin. All these, as well asthe corresponding reactions with hexafluorocyclopenadiene were studied by semiempirical(AM1 and PM3 and hybrid density functional (B3LYP methods. Besides the energy levels,the transition states were calculated for the reactions leading to the diastereofacial isomers ofaldrin, which indicate that aldrin is the favored product of the reaction both fromthermodynamic and kinetic point of view.

  15. Static quadrupole moment of the Kπ = 14+ isomer in 176W

    International Nuclear Information System (INIS)

    Ionescu-Bujor, M.; Iordachescu, A.; Bucurescu, D.; Brandolini, F.; Lenzi, S. M.; Pavan, P.; Rossi Alvarez, C.; Marginean, N.; Medina, N.H.; Ribas, R.V.; De Poli, M.; Napoli, D. R.; Podolyak, Zs.; Ur, C. A.

    2001-01-01

    The investigation of high-K isomeric states in the deformed nuclei of the A∼180 region has found renewed interest in recent years. Much experimental and theoretical work was devoted to understand the mechanisms which govern their decay to lower-lying states, particularly the anomalous strong decays to low-K states. Other questions of great importance are the quenching of the pairing correlations and the shape polarization effects in the high-seniority multi-quasiparticle excitations. Our interest focused on the 41 ns K π =14 + 3746 keV isomeric state with anomalous decay in 176 W. On the basis of a precise g-factor measurement we assigned to this isomer a pure four-quasiparticle configuration, composed by two protons in the 7/2 + [404] and 9/2 - [514] orbitals and two neutrons in the 7/2 + [633] and 5/2 - [512] orbitals. In the present work the measurement of its static quadrupole moment has been performed. Prior to our experiment, static quadrupole moments have been measured only for three high-K isomeric states of seniority ≥ 4 in the A∼180 region: 16 + in 178 Hf, 35/2 - in 179 W and 25 + in 182 Os. A deformation very similar to that of the ground state has been deduced for the 16 + isomer in 178 Hf, while for the high-K isomers in 179 W and 182 Os significantly smaller deformations were reported. The quadrupole interaction of the 14 + isomeric state in 176 W has been investigated in the electric field gradient (EFG) of the polycrystalline lattice of metallic Tl by applying the time-differential perturbed angular distribution method. For W impurities in Tl host the EFG strength and its temperature dependence have been recently reported. The isomer was populated in the 164 Dy( 16 O,4n) 176 W reaction using a 83 MeV 16 O pulsed beam (pulse width 1.5 ns, repetition period 800 ns) delivered by the XTU-Tandem of Laboratori Nazionali di Legnaro. The target consisted of 0.5 mg/cm 2 metallic 164 Dy on thick Tl backing in which both the recoiling 176 W nuclei and

  16. 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

  17. Generalized seniority states and isomers in tin isotopes

    Science.gov (United States)

    Jain, Ashok Kumar; Maheshwari, Bhoomika

    2017-07-01

    Isomeric studies in neutron-rich nuclei are a powerful tool for exploring structure at the nuclear extremes. In this paper we discuss the systematic features of the excitation energies and transition probabilities of Sn isotopes in the region N = 50-82 and present their basic understanding in terms of generalized seniority. We further use generalized seniority as a probe to explore the neutron-rich {6}+ seniority isomers in 134-138Sn, and to validate the neutron single-particle energies beyond N = 82. We show that these isomers behave as generalized seniority isomers, where the so-called anomalous {{B}}(E2) behavior of the {6}+ isomer in 136Sn may be naturally explained. We support these results by shell model calculations, where the latest neutron single-particle energies of the N = 82-126 region have been used, and the i13/2 neutron single-particle energy has been suitably modified in the renormalized charge-dependent Bonn interaction. This entails a possible new subshell closure at N = 112 due to the suggested higher location of the i13/2 neutron orbital, also consistent with the choice of orbitals in the generalized seniority scheme. However, a small reduction in the f7/2 two-body matrix elements is still required in the shell model calculations to consistently reproduce the experimental level energies as well as the transition probabilities in 134-138Sn isotopes.

  18. The molecular properties of nitrobenzanthrone isomers and their mutagenic activities.

    Science.gov (United States)

    Ostojić, Bojana D; Stanković, Branislav; Ðorđević, Dragana S

    2014-06-01

    The mutagenic activity of five mono-substituted nitrobenzanthrones (NBA) has been determined in the Ames assay (Takamura-Enya et al., 2006). In the present study, a theoretical investigation of the electronic properties of all mono-substituted NBA isomers and their relation to mutagenic activity are presented. Equilibrium geometries, vertical ionization potentials (VIP), vertical electron affinities (VEA), relative energies, dipole moments and electronic dipole polarizabilities, and the IR and Raman spectra of NBA isomers calculated by Density Functional Theory (DFT) methods are presented. The position of the nitro group affects the spectral features of the IR and Raman spectra of the NBA isomers. The results show that a good linear relationship exists between the summation of Raman activities (∑ARaman) over all the 3N-6 vibrational modes and the mutagenic activity of the NBA isomers in Salmonella typhimurium strains. The spectroscopic results suggest that the unknown mutagenic activities of 4-NBA, 5-NBA, 6-NBA, 8-NBA and 10-NBA are predicted to follow the order 4-NBA>10-NBA>5-NBA>8-NBA>6-NBA. Copyright © 2013 Elsevier Ltd. All rights reserved.

  19. Determination of the excitation energy of high spin isomers

    International Nuclear Information System (INIS)

    Bjoernholm, S.; Borggreen, J.; Christensen, O.; Del Zoppo, A.; Herskind, B.; Pedersen, J.; Sletten, G.

    1979-01-01

    The sum spectrometer technique to study delayed radiation is discussed. Results on half-lives and isomer excitation energies are presented for 144 Gd, 147 Gd, 148 Tb, 151 Dy, 152 Dy, 149-153 Ho, 151 Er, 152 Er, 153 Er, and 154 Er. 2 figures, 1 table

  20. Heme isomers substantially affect heme's electronic structure and function

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2017-01-01

    Inspection of heme protein structures in the protein data bank reveals four isomers of heme characterized by different relative orientations of the vinyl side chains; remarkably, all these have been reported in multiple protein structures. Density functional theory computations explain this as due...

  1. Polarization, political

    NARCIS (Netherlands)

    Wojcieszak, M.; Mazzoleni, G.; Barnhurst, K.G.; Ikeda, K.; Maia, R.C.M.; Wessler, H.

    2015-01-01

    Polarization has been studied in three different forms: on a social, group, and individual level. This entry first focuses on the undisputed phenomenon of elite polarization (i.e., increasing adherence of policy positions among the elites) and also outlines different approaches to assessing mass

  2. FY2011 Annual Report for the Actinide Isomer Detection Project

    International Nuclear Information System (INIS)

    Warren, Glen A.; Francy, Christopher J.; Ressler, Jennifer J.; Erikson, Luke E.; Tatishvili, Gocha; Hatarik, R.

    2011-01-01

    This project seeks to identify a new signature for actinide element detection in active interrogation. This technique works by exciting and identifying long-lived nuclear excited states (isomers) in the actinide isotopes and/or primary fission products. Observation of isomers in the fission products will provide a signature for fissile material. For the actinide isomers, the decay time and energy of the isomeric state is unique to a particular isotope, providing an unambiguous signature for SNM. This project entails isomer identification and characterization and neutron population studies. This document summarizes activities from its third year - completion of the isomer identification characterization experiments and initialization of the neutron population experiments. The population and decay of the isomeric state in 235U remain elusive, although a number of candidate gamma rays have been identified. In the course of the experiments, a number of fission fragment isomers were populated and measured (Ressler 2010). The decays from these isomers may also provide a suitable signature for the presence of fissile material. Several measurements were conducted throughout this project. This report focuses on the results of an experiment conducted collaboratively by PNNL, LLNL and LBNL in December 2010 at LBNL. The measurement involved measuring the gamma-rays emitted from an HEU target when bombarded with 11 MeV neutrons. This report discussed the analysis and resulting conclusions from those measurements. There was one strong candidate, at 1204 keV, of an isomeric signature of 235U. The half-life of the state is estimated to be 9.3 μs. The measured time dependence fits the decay time structure very well. Other possible explanations for the 1204-keV state were investigated, but they could not explain the gamma ray. Unfortunately, the relatively limited statistics of the measurement limit, and the lack of understanding of some of the systematic of the experiment, limit

  3. 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...

  4. Fuel properties of heptadecene isomers prepared via tandem isomerization-decarboxylation of oleic acid

    Science.gov (United States)

    Heptadecene isomers were prepared via tandem isomerization-decarboxylation of oleic acid using catalytic triruthenium dodecacarbonyl [Ru3(CO)12]. Chromatographic and spectroscopic characterization of the isolated heptadecene mixture indicated that it consisted of 96% internal isomers and 4% aromatic...

  5. Identifying isomers of C-78 by means of x-ray spectroscopy

    DEFF Research Database (Denmark)

    Bassan, Arianna; Nyberg, Mats; Luo, Yi

    2002-01-01

    X-ray photoelectron and absorption spectra of C-78 isomers have been generated using density functional theory with inclusion of the full core-hole potentials. Strong isomer dependence has been found in absorption, but not in the photoelectron spectra. C-78 isomers can be thought to be formed...

  6. Polar Bears

    Science.gov (United States)

    Amstrup, Steven C.; Douglas, David C.; Reynolds, Patricia E.; Rhode, E.B.

    2002-01-01

    Polar bears (Ursus maritimus) are hunted throughout most of their range. In addition to hunting polar bears of the Beaufort Sea region are exposed to mineral and petroleum extraction and related human activities such as shipping road-building, and seismic testing (Stirling 1990).Little was known at the start of this project about how polar bears move about in their environment, and although it was understood that many bears travel across political borders, the boundaries of populations had not been delineated (Amstrup 1986, Amstrup et al. 1986, Amstrup and DeMaster 1988, Garner et al. 1994, Amstrup 1995, Amstrup et al. 1995, Amstrup 2000).As human populations increase and demands for polar bears and other arctic resources escalate, managers must know the sizes and distributions of the polar bear populations. Resource managers also need reliable estimates of breeding rates, reproductive intervals, litter sizes, and survival of young and adults.Our objectives for this research were 1) to determine the seasonal and annual movements of polar bears in the Beaufort Sea, 2) to define the boundaries of the population(s) using this region, 3) to determine the size and status of the Beaufort Sea polar bear population, and 4) to establish reproduction and survival rates (Amstrup 2000).

  7. The Search for High Spin State Isomers in the Atomic Mass Region 178-192

    International Nuclear Information System (INIS)

    Ellahrah, M.S.; Arfa, N.S.

    2007-01-01

    Isomers for elements far a way from line of stability are a new field for research to produce artificial isomers that can store considerable amount of energy in small amount of mass without the dangerous hazards on life and environment. These isomers could have very short life time or very long one 10th and 100th of years. It will be possible to get the stored energy by stimulated emission . The purpose of this work to use a theorical model based on Bcs method to find out the possible isomers in the mass reg on 178-192 even -even isotopes so that experimentalists can concentrate their research on these predicted isomers.

  8. A Polar Isomer of Formic Acid Dimer Formed in Helium Nanodroplets

    Czech Academy of Sciences Publication Activity Database

    Madeja, F.; Havenith, M.; Nauta, K.; Miller, R. E.; Chocholoušová, Jana; Hobza, Pavel

    2004-01-01

    Roč. 120, č. 22 (2004), s. 10554-10560 ISSN 0021-9606 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : resolution infrared - spectroscopy * double-resonance spectroscopy * ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.105, year: 2004

  9. Chiral separation of tedizolid using charge single isomer derivatives of cyclodextrins by capillary electrokinetic chromatography.

    Science.gov (United States)

    Michalska, Katarzyna; Gruba, Ewa; Cielecka-Piontek, Judyta; Bednarek, Elżbieta

    2016-02-20

    A method to enantioseparate tedizolid (TED), the second analogue after linezolid (LIN) in a truly new class of antibacterial agents, the oxazolidinones, was developed based on capillary electrokinetic chromatography using cyclodextrin as chiral pseudophase (CD-cEKC). The single isomer R-tedizolid possesses one chiral centre at C5 of the oxazolidinone ring, which is associated with the antibacterial activity of the drug. Tedizolid enantiomers are non-charged and therefore require the use of charged cyclodextrins (CCDs) as carrier hosts to achieve a velocity difference during migration. During method development, hydrophilic anionic single-isomer and moderately hydrophobic and hydrophobic cyclodextrins were tested, including heptakis-(2,3-dihydroxy-6-sulfo)-β-cyclodextrin (HS-β-CD), heptakis-(2,3-diacetyl-6-sulfo)-β-cyclodextrin (HDAS-β-CD), oktakis-(2,3-diacetyl-6-sulfo)-γ-cyclodextrin (ODAS-γ-CD) and heptakis-(2,3-dimethyl-6-sulfo)-β-cyclodextrin (HDMS-β-CD). Only CDs that have acetyl groups at the C2 and C3 positions with seven (HDAS-β-CD) or eight (ODAS-γ-CD) residues of glucopyranose units provided baseline separation of the tedizolid enantiomers with the addition of organic solvent. During the experiments, different organic solvents were tested, such as methanol, acetonitrile, tetrahydrofuran, which varied in their abilities to donate or accept protons. The best enantiomer separation results were obtained using the CD-cEKC method with 37.5mM HDAS-β-CD dissolved in 50mM formic buffer (pH 4.0) with the addition of acetonitrile (81.4:18.6, v/v) at 27ºC, normal polarity, and 12kV. Finally, the apparent binding constants for each enantiomer-HDAS-β-CD pair were calculated. Moreover, in order to evaluate the behaviour of TED and LIN enantiomers relative to chiral selector, enantioselective interactions towards the precursors of TED and LIN isomers were also investigated. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Isomer-specific consumption of galactooligosaccharides by bifidobacterial species

    Science.gov (United States)

    Tsui, Man Ki; Mills, David A.; Lebrilla, Carlito B.

    2014-01-01

    Prebiotics are non-digestible substrates that stimulate the growth of beneficial microbes in the human intestine. Galactooligosaccharides (GOS) are food ingredients that possess prebiotic properties, in particular, promoting the growth of bifidobacteria in situ. However precise mechanistic details of GOS consumption by bifidobacteria remains poorly understood. Because GOS are mixtures of polymers of different lengths and linkages, there is interest to determine which specific structures provide prebiotic effects in order to potentially create better supplements. We here present a method comprising porous graphitic carbon separation, isotopic labeling and mass spectrometry analysis for the structure specific analysis of GOS isomers and their bacterial consumption rate. Using this strategy, the differential bacterial consumption of GOS by the bifidobacteria species B. longum subsp. infantis, B. animalis subsp. lactis and B. adolescentis was determined, indicating that the use of specific GOS isomers in infant formula may provide enrichment of distinct species. PMID:24313277

  11. Inmersiones isométricas en variedades riemannianas

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Marín Arango

    2011-06-01

    Full Text Available Este trabajo recapitula la teoría básica de conexiones en fibrados principales y fibrados vectoriales con el fin de aplicar tales teorías al estudio de inmersiones isométricas en variedades riemannianas; por medio de una versión apropiada del teorema de Frobenius mostramos un resultado que generaliza el teorema fundamental de las inmersiones isométricas. Abstract. This paper summarizes the basic theory of connections in principal bundles and vector bundles in order to apply these theories to the study of isometric immersions in Riemannian manifolds; by an appropriate version of the Frobenius theorem we show a result that generalizes the Fundamental Theorem of isometric immersions.

  12. The Gamma Resonance Problem of Long-Lived Nuclear Isomers

    Science.gov (United States)

    Davydov, Andrey V.

    2001-07-01

    A review is given of the studies relating to the problem of γ-resonant (Mössbauer) excitation of long-lived nuclear isomers. The theoretical estimates of possible γ-line broadening are presented. Earlier experiments are described with 107mAg and 109mAg isomers using polycrystalline samples of pure Ag and Ag-Pd alloys. The results of these experiments did not contradict the theoretical predictions. The series of papers using Ag single-crystal γ-sources is reviewed. Their results were interpreted as indications of a rather small 109mAg γ-line broadening, which cannot be explained by modern theory. The results of the last experiments by ITEP group with 109mAg are also presented. These data may be coordinated with results of other research, if one takes into account the Zeeman splitting of the γ-spectra by Earth's magnetic field.

  13. High spin states and Yrast isomers in 211Rn

    International Nuclear Information System (INIS)

    Poletti, A.R.; Dracoulis, G.D.; Fahlander, C.; Morrison, I.

    1981-01-01

    Excited states in 211 Rn with spins up to 53/2 have been identified using (HI,xn) reactions and γ-ray techniques. A shell model calculation can reproduce the ordering of the yrast sequence up to spin 41/2 - . Several yrast isomers have been identified. Enhanced E3 transitions are observed and their systematic occurrence in this region discussed. The influence of the neutron hole, and possible core excitations on the effective moment of inertia are also pointed out

  14. Island of high-spin isomers near N = 82

    International Nuclear Information System (INIS)

    Pedersen, J.; Back, B.B.; Bernthal, F.M.; Bjornholm, S.; Borggreen, J.; Christensen, O.; Folkmann, F.; Herskind, B.; Khoo, T.L.; Neiman, M.; Puehlhofer, F.; Sletten, G.

    1977-01-01

    Experiments aimed at testing for the existence of yrast traps are reported. A search for delayed γ radiation of lifetimes longer than approx. 10 ns and of high multiplicity has been performed by producing more than 100 compound nuclei between Ba and Pb in bombardments with 40 Ar, 50 Ti, and 65 Cu projectiles. An island of high-spin isomers is found to exist in the region 64 or approx. = 71 and N < or approx. = 82

  15. High spin states and yrast isomers in 211Rn

    International Nuclear Information System (INIS)

    Poletti, A.R.; Dracoulis, G.D.; Fahlander, C.; Morrison, I.

    1980-12-01

    Excited states in 211 Rn with spins up to 53/2 have been identified using (HI,xn) reactions and γ-ray techniques. A shell model calculation can reproduce the ordering of the yrast sequence up to spin 41/2. Several yrast isomers have been identified. Enhanced E3 transitions are observed and their systematic occurrence in this region discussed. The influence of the neutron hole, and possible core excitations on the effective moment of inertia are also pointed out

  16. Observation of the new isomer 32mAl

    International Nuclear Information System (INIS)

    Robinson, M.; Halse, P.; Lewitowicz, M.; Saint-Laurent, M.G.

    1995-01-01

    A new isomer in the neutron-rich isotope 32 Al has been identified among the fragmentation products of a 40 Ar 16+ beam using the LISE spectrometer at GANIL. The population of the isomeric state was inferred from the detection of γ-radiation following its decay in coincidence with its respective heavy-ion implantation signal. The half-life of 32m Al was determined to be 240 ± 30 ns. (author)

  17. Butane isomer separation with composite zeolite MFI mebranes

    Czech Academy of Sciences Publication Activity Database

    Hrabánek, Pavel; Zikánová, Arlette; Bernauer, B.; Fíla, V.; Kočiřík, Milan

    2009-01-01

    Roč. 245, 1-3 (2009), s. 437-443 ISSN 0011-9164 R&D Projects: GA ČR GA203/07/1443; GA AV ČR KAN400720701; GA AV ČR(CZ) 1QS401250509 Institutional research plan: CEZ:AV0Z40400503 Keywords : zeolite MFI * membranes * separation * butane isomers Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.034, year: 2009

  18. Characteristics of Butanol Isomers Oxidation in a Micro Flow Reactor

    KAUST Repository

    Bin Hamzah, Muhamad Firdaus

    2017-05-01

    Ignition and combustion characteristics of n-butanol/air, 2-butanol.air and isobutanol/air mixtures at stoichiometric (ϕ = 1) and lean (ϕ = 0.5) conditions were investigated in a micro flow reactor with a controlled temperature profile from 323 K to 1313 K, under atmospheric pressure. Sole distinctive weak flame was observed for each mixture, with inlet fuel/air mixture velocity set low at 2 cm/s. One-dimensional computation with comprehensive chemistry and transport was conducted. At low mixture velocities, one-stage oxidation was confirmed from heat release rate profiles, which was broadly in agreement with the experimental results. The weak flame positions were congruent with literature describing reactivity of the butanol isomers. These weak flame responses were also found to mirror the trend in Anti-Knock Indexes of the butanol isomers. Flux and sensitivity analyses were performed to investigate the fuel oxidation pathways at low and high temperatures. Further computational investigations on oxidation of butanol isomers at higher pressure of 5 atm indicated two-stage oxidation through the heat release rate profiles. Low temperature chemistry is accentuated in the region near the first weak cool flame for oxidation under higher pressure, and its impact on key species – such as hydroxyl radical, hydrogen peroxide and carbon monoxide – were considered. Both experimental and computational findings demonstrate the advantage of employing the micro flow reactor in investigating oxidation processes in the temperature region of interest along the reactor channel. By varying physical conditions such as pressure, the micro flow reactor system is proven to be highly beneficial in elucidating oxidation behavior of butanol isomers in conditions in engines such as those that mirror HCCI operations.

  19. Comparison of the Weisskopf estimates in spin and K-isomers

    International Nuclear Information System (INIS)

    Garg, Swati; Maheshwari, B.; Rajput, Rohit; Srivastava, P.C.; Jain, A.K.

    2014-01-01

    Nuclear isomers are the excited metastable states, which exist due to the hindrance on their decay. Study of isomers has recently become very popular due to advances in the experimental techniques and also the arrival of radioactive beams. Large amount of new experimental data is becoming available. The very first 'Atlas of nuclear isomers' lists more than 2460 nuclear isomers with the half-life cut off at 10 ns. Spin isomers mostly exist due to the difficulty in meeting the spin selection rules and cluster around the semi-magic regions. The isomers far from the magic-numbers, which lie in the well-deformed region, mostly exist due to the goodness of the K-quantum number and large K-difference between the decaying states. They are known as K-isomers

  20. Nuclear structure via isomer tagging of fission fragments

    Science.gov (United States)

    Wu, C. Y.; Cline, D.; Simon, M. W.; Stoyer, M. A.

    1997-10-01

    The high efficiency for detecting high-fold γ rays by large Ge arrays makes it possible to study the detailed spectroscopy of many neutron-rich nuclei produced by fission. Major progress has been made using sealed spontaneous fission sources. Considerable improvement in selectivity is provided, with an open source, both by gating on isomers and by detection of both fission fragments in coincidence with the deexcitation γ rays (see the preceding contribution). The reconstructed kinematics allows a measure of fragment mass and the Doppler shift correction of γ rays. In a recent experiment, fission fragments were detected using half of the CHICO array and an annular PPAC in coincidence with deexcitation γ rays detected by the Rochester array of eight Compton-suppressed Ge detectors. The annular PPAC was located only 1.0" from a 3.7 μCi ^252Cf source for efficient isomer tagging. The correlation was studied between delayed, within a time window between 150 ns and 10 μs after a fission occurring, and prompt γ rays. Several prominent feeding patterns to isomers in the mass region around 100 and 130 are identified by such correlation study. Experimental details and results will be presented.

  1. Nuclear Structure Studies of Microsecond Isomers Near A=100

    Science.gov (United States)

    Simpson, G.; Genevey, J.; Pinston, J. A.; Urban, W.; Zlomaniec, A.; Orlandi, R.; Scherillo, A.; Tsekhanovich, I.; Smith, A. G.; Thallon, A.; Varley, B. J.; Jolie, J.; Warr, N.

    2007-04-01

    A large variety of shapes may be observed in Sr and Zr nuclei of the A = 100 region when the number of neutrons increases from N = 58 to N = 64. The lighter isotopes are rather spherical. It is also well established that three shapes co-exist in the transitional odd-A, N = 59, Sr and Zr nuclei. For N > 59, strongly deformed axially symmetric bands are observed. Recently, a new isomer of half-life 1.4(2) mu s was observed in 95Kr, the odd-odd 96Rb has been reinvestigated and a new high-spin isomer observed in the even-even 98Zr. These nuclei were studied by means of prompt gamma -ray spectroscopy of the spontaneous fission of 248Cm using the EUROGAM 2 Ge array and/or measurements of mu s isomers produced by fission of 239,241Pu with thermal neutrons at the ILL (Grenoble). To allow spectroscopic studies of isomeric states with lifetimes around 100 ns, across a broad range of medium-heavy neutron-rich nuclei, an experiment was performed at a neutron guide of the ILL using thermal-neutron-induced fission. Fission fragments were identified using a small spectrometer consisting of a section to measure time-of-flight and an ionization chamber. Isomeric gamma rays emitted from complementary fragments were detected in an array of Ge detectors.

  2. Isomer probes of nuclear structure following deep inelastic collisions

    CERN Document Server

    Al-Garni, S A; Walker, P

    2002-01-01

    Deep-inelastic collisions of sup 1 sup 3 sup 6 Xe ions with tantalum, tungsten and rhenium targets have been used to study beta-decays and high-spin isomers in neutron-rich A approx 180 nuclei at the GSI on-line mass separator. In particular, gamma rays -associated with the decay of the previously identified K suppi = 37/2 sup - , T sub 1 sub / sub 2 = 51 min isomer in sup 1 sup 7 sup 7 Hf have been observed, but with an unexpectedly high yield considering the release efficiency for short-lived hafnium isotopes from a thermal ion source. These results may be interpreted as possible evidence for a hitherto unrecognised, high-spin beta-decaying isomer in sup 1 sup 7 sup 7 Lu. A two-component half-life analysis of the sup 1 sup 7 sup 7 Hf gamma-ray intensities gives an upper-lying component of 6 + 3 - 2 min, when the lower-lying component half-life is fixed at 51 min. Nilsson multi-quasiparticle calculations with BCS pairing predict a favoured K suppi = 39/2 sup - state in sup 1 sup 7 sup 7 Lu, which is a candid...

  3. Ternary fission of spontaneously fissile uranium isomers excited by neutrons

    International Nuclear Information System (INIS)

    Makarenko, V.E.; Molchanov, Y.D.; Otroshchenko, G.A.; Yan'kov, G.B.

    1989-01-01

    Spontaneously fissile isomers (SFI) of uranium were excited in the reactions 236,238 U(n,n') at an average neutron energy 4.5 MeV. A pulsed electrostatic accelerator and time analysis of the fission events were used. Fission fragments were detected by the scintillation method, and long-range particles from fission were detected by an ionization method. The relative probability of fission of nuclei through a spontaneously fissile isomeric state was measured: (1.30±0.01)·10 -4 ( 236 U) and (1.48±0.02)·10 -4 ( 238 U). Half-lives of the isomers were determined: 121±2 nsec (the SFI 236 U) and 267±13 nsec (the SFI 238 U). In study of the ternary fission of spontaneously fissile isotopes of uranium it was established that the probability of the process amounts to one ternary fission per 163±44 binary fissions of the SFI 236 U and one ternary fission per 49±14 binary fissions of the SFI 238 U. The substantial increase of the probability of ternary fission of SFI of uranium in comparison with the case of ternary fission of nuclei which are not in an isomeric state may be related to a special nucleon configuration of the fissile isomers of uranium

  4. Political polarization

    OpenAIRE

    Dixit, Avinash K.; Weibull, Jörgen W.

    2007-01-01

    Failures of government policies often provoke opposite reactions from citizens; some call for a reversal of the policy, whereas others favor its continuation in stronger form. We offer an explanation of such polarization, based on a natural bimodality of preferences in political and economic contexts and consistent with Bayesian rationality.

  5. Political polarization.

    Science.gov (United States)

    Dixit, Avinash K; Weibull, Jörgen W

    2007-05-01

    Failures of government policies often provoke opposite reactions from citizens; some call for a reversal of the policy, whereas others favor its continuation in stronger form. We offer an explanation of such polarization, based on a natural bimodality of preferences in political and economic contexts and consistent with Bayesian rationality.

  6. Separation of polar compounds using a flexible metal-organic framework

    NARCIS (Netherlands)

    Motkuri, R.K.; Thallapally, P.K.; Annapureddy, H.V.R.; Dang, L.X.; Krishna, R.; Nune, S.K.; Fernandez, C.A.; Liu, J.; McGrail, B.P.

    2015-01-01

    A flexible metal-organic framework constructed from a flexible linker is shown to possess the capability of separating mixtures of polar compounds (propanol isomers) by exploiting the differences in the saturation capacities of the constituents. Transient breakthrough simulations show that these

  7. Shape isomer excitation by mu-minus capture

    International Nuclear Information System (INIS)

    Kaplan, S.N.; Monard, J.A.; Nagamiya, S.

    1975-06-01

    In a search for back-decay gamma rays from the shape isomer in 238 U following mu-minus capture, no candidates have been found with yields greater than 2 percent of the muon stoppings. The intensities of the gamma rays are insufficient to permit definitive lifetime measurements of individual peaks; however, for 500-keV energy ranges of gamma ray pulses, lifetimes have been determined that give results consistent with recent electron lifetime measurements. (6 figures, 2 tables) (U.S.)

  8. Three minor valepotriate isomers from Valeriana jatamansi and their cytotoxicity.

    Science.gov (United States)

    Lin, Sheng; Fu, Peng; Chen, Tao; Ye, Ji; Yang, Xian-Wen; Zhang, Wei-Dong

    2017-01-01

    Three new minor valepotriate isomers, jatamanvaltrates Z1 (1), Z2 (2), and Z3 (3), have been isolated from the whole plants of Valeriana jatamansi (syn. Valeriana wallichii.). Their structures were elucidated by extensive spectroscopic analysis, especially 2D NMR and ESI-MS/MS n . All isolated compounds displayed moderate cytotoxicity against the lung adenocarcinoma (A549), metastatic prostate cancer (PC-3 M), colon cancer (HCT-8), and hepatoma (Bel7402) cell lines with IC 50 values of 2.8-8.3 μM.

  9. Spins, Electromagnetic Moments, and Isomers of 107-129Cd

    CERN Document Server

    Yordanov, D T; Bieron, J; Bissell, M L; Blaum, K; Budincevic, I; Fritzsche, S; Frommgen, N; Georgiev, G; Geppert, Ch; Hammen, M; Kowalska, M; Kreim, K; Krieger, A; Neugart, R; Nortershauser, W; Papuga, J; Schmidt, S

    2013-01-01

    The neutron-rich isotopes of cadmium up to the N=82 shell closure have been investigated by high-resolution laser spectroscopy. Deep-UV excitation at 214.5 nm and radioactive-beam bunching provided the required experimental sensitivity. Long-lived isomers are observed in 127Cd and 129Cd for the first time. One essential feature of the spherical shell model is unambiguously confirmed by a linear increase of the 11/2- quadrupole moments. Remarkably, this mechanism is found to act well beyond the h11/2 shell.

  10. Decays of 116Sb isomers to levels in 116Sn

    International Nuclear Information System (INIS)

    Gacsi, Z.; Raman, S.

    1994-01-01

    The excited states of 116 Sn were studied by means of the decays of the 15.8-min, 3 + 116 Sb ground state, and the 60.3-min, 8 - 116 Sb isomer. Over 50 γ rays were observed; these were incorporated into a level scheme consisting of 32 excited states. Except for one new level proposed at 3.986 MeV, the current study fully supports an exhaustive study of levels in 116 Sn reported earlier. The previous study was an attempt to develop a nearly ''complete'' level scheme of 116 Sn up to an excitation energy of 4.3 MeV

  11. Levels above the 19/2- isomer in 71Cu: Persistence of the N=40 neutron shell gap

    International Nuclear Information System (INIS)

    Stefanescu, I.; Walters, W. B.; Janssens, R. V. F.; Carpenter, M. P.; Lauritsen, T.; Seweryniak, D.; Zhu, S.; Hoteling, N.; Hecht, A. A.; Woehr, A.; Broda, R.; Fornal, B.; Pawlat, T.; Wrzesinski, J.; Krolas, W.; Stone, J. R.; Wang, X.

    2009-01-01

    Two prompt γ rays of energies 2020 and 554 keV were observed in coincidence with delayed transitions depopulating the 19/2 - isomer in the Z=29, N=42 71 Cu nucleus. The newly identified transitions are proposed to deexcite the 4776- and 5330-keV levels above the 19/2 - isomer. Based on the comparison with the low-lying positive-parity states observed in the Z=42, N=50 92 Mo nucleus, spin and parity 23/2 - are proposed for the 4776-keV level in 71 Cu. The high-energy, 2020-keV transition is interpreted as arising from the breaking of the N=40 neutron core. Shell-model calculations with a 56 Ni core reproduce the (23/2 - )→(19/2 - ) gap well, suggesting that the 23/2 - state is dominated by πp 3/2 ν((fp) 10 (g 9/2 ) 4 ) configurations. The present result constitutes further evidence supporting the view that the N=40 subshell closure persists in 71 Cu, herewith challenging recent suggestions that the coupling of two or more proton or neutron quasiparticles induces a large polarization of the 68 Ni core

  12. Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.

    Science.gov (United States)

    Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H; Mohamod, Abdirahman A

    2017-10-20

    We herein report the preparation of constitutional isomers of pentahydroxy-functionalized pillar[5]arenes via the deprotection of their benzylated derivatives by catalytic hydrogenation. The structures of the obtained isomers were then established using single crystal X-ray diffraction. We also found that the yield distribution of the different constitutional isomers was dependent on the nature of the substitution, as revealed by HPLC analysis of the crude mixture. Finally, further characterization of the separated constitutional isomers indicated that they possess different melting points, NMR spectra, crystal structures, and stacking patterns in the solid state.

  13. Calculations of long-lived isomer production in neutron reactions

    International Nuclear Information System (INIS)

    Chadwick, M.B.; Young, P.G.

    1992-01-01

    We present theoretical calculations for the production of the long-lived isomers 93m Nb (1/2-, 16 yr), 121m Sn (11/2-, 55 yr), 166m Ho (7-, 1200 yr), 184m Re (8+, 165 d), 186m Re (8+, 2x10 5 yr), 178 Hf (16+, 31 yr), 179m Hf (25/2-, 25 d), and 192m Ir (9+, 241 yr), all of which pose potential radiation activation problems in nuclear fusion reactors if produced in 14-MeV neutron-induced reactions. We consider (n,2n), (n,n'), and (n,γ) production modes and compare our results both with experimental data (where available) and systematics. We also investigate the dependence of the isomeric cross section ratio on incident neutron energy for the isomers under consideration. The statistical Hauser-Feshbach plus preequilibrium code GNASH was used for the calculations. Where discrete state experimental information was lacking, rotational band members above the isomeric state, which can be justified theoretically but have not been experimentally resolved, were reconstructed. (author). 16 refs, 10 figs, 4 tabs

  14. CHEMICAL SIMULATIONS OF PREBIOTIC MOLECULES: INTERSTELLAR ETHANIMINE ISOMERS

    Energy Technology Data Exchange (ETDEWEB)

    Quan, Donghui; Durr, Allison [Department of Chemistry, Eastern Kentucky University, Richmond, KY 40475 (United States); Herbst, Eric [Departments of Chemistry and Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Corby, Joanna F. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Hassel, George [Physics and Astronomy Department, Siena College, Loudonville, NY 12211 (United States)

    2016-06-20

    The E- and Z- isomers of ethanimine (CH{sub 3}CHNH) were recently detected toward the star-forming region Sagittarius (Sgr) B2(N) using the Green Bank Telescope PRIMOS cm-wave spectral data, and imaged by the Australia Telescope Compact Array. Ethanimine is not reported in the hot cores of Sgr B2, but only in gas that absorbs at +64 and +82 km s{sup −1} in the foreground of continuum emission generated by H ii regions. The ethanimine isomers can serve as precursors of the amino acid alanine and may play important roles in forming biological molecules in the interstellar medium. Here we present a study of the chemistry of ethanimine using a gas-grain simulation based on rate equations, with both isothermal and warm-up conditions. In addition, the density, kinetic temperature, and cosmic ray ionization rate have been varied. For a variety of physical conditions in the warm-up models for Sgr B2(N) and environs, the simulations show reasonable agreement with observationally obtained abundances. Isothermal models of translucent clouds along the same line of sight yield much lower abundances, so that ethanimine would be much more difficult to detect in these sources despite the fact that other complex molecules have been detected there.

  15. Degradation of a chiral nonylphenol isomer in two agricultural soils

    International Nuclear Information System (INIS)

    Zhang Haifeng; Spiteller, Michael; Guenther, Klaus; Boehmler, Gabriele; Zuehlke, Sebastian

    2009-01-01

    The degradation of a chiral nonylphenol isomer, 4-(1-ethyl-1,4-dimethylpentyl)phenol (NP 112 ), in two agricultural soils from Monheim and Dortmund, Germany has been studied. The degradation of NP 112 and the formation of a nitro-nonylphenol metabolite were determined by means of GC-MS analysis. The degradation followed bi-exponential order kinetics, with half-life of less than 5 days in both soils. The nitro-metabolite was found at different concentration levels in the two soils. The nitro-metabolite of NP 112 was more persistent than its parent compound. After 150 days about 13% of the initially applied NP 112 remained in the Monheim soil as its nitro-metabolite. Results of the E-screen assay revealed that the nitro-NP 112 has oestrogenic potency of 85% of that of NP 112 . Furthermore, the results of chiral GC-MS analysis revealed that no chiral degradation of NP 112 occurred in this study. - The degradation of a chiral nonylphenol isomer in agricultural soils followed bi-exponential order kinetics resulting in a more persistent nitro-metabolite.

  16. Isomers of Poly Aminophenol: Chemical Synthesis, Characterization, and Its Corrosion Protection Aspect on Mild Steel in 1 M HCl

    OpenAIRE

    Thenmozhi, G.; Arockiasamy, P.; Santhi, R. Jaya

    2014-01-01

    The oxidative chemical polymerizations of three isomers of aminophenol, ortho, meta, and para (PoAP, PmAP, and PpAP), were performed in aqueous HCl using ammonium persulfate as an oxidant at 0–3°C. The synthesized polymers were characterized by employing elemental analysis, GPC, UV-VIS-NIR, FT-IR, XRD, and TGA. The corrosion inhibition effect of these three polymers on mild steel in 1 M HCl solution was studied by using electrochemical techniques such as potentiodynamic polarization and elect...

  17. 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.

  18. Thermal behavior of H-aggregate in a mixed Langmuir-Blodgett film of merocyanine dye, arachidic acid, and n-octadecane ternary system investigated by UV-visible and IR absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Tateno, Shinsuke; Yamashita, Yoshihide; Ozaki, Yukihiro

    2008-11-13

    We have investigated the thermal behavior of H-aggregate in a mixed Langmuir-Blodgett (LB) film of the merocyanine dye (MS18)-arachidic acid (C20)- n-octadecane (AL18) ternary system by means of UV-visible and IR absorption spectroscopy in the range from 25 to 250 degrees C with a continuous scan. The results of both UV-visible and IR spectra indicate that the temperature-dependent variation in MS 18 aggregation state is linked not only with the degree of intramolecular charge transfer and the behavior of packing, orientation, conformation, and thermal mobility of the MS18 hydrocarbon chain but also with the presence and absence of AL18. The H-aggregate dissociates from 25 up to 50 degrees C, which is caused by the AL18 evaporation from the mixed LB film and the increment of thermal mobility of the MS18 hydrocarbon chain. From 110 to 160 degrees C, blue-shifted bands, attributed to the oligomeric MS18 aggregation, appear near 515 nm in the MS18-C 20-AL18 ternary system as well. The temperature at which the 515 nm band occurs is identical for both present ternary system and previously investigated MS18-deuterated arachidic acid (C20- d) binary system, and it is in good agreement with the melting point (110 degrees C) of cadmium arachidate (CdC20). Therefore, it is indicated that the driving force which induces the 515 nm band comes from the melting phenomenon of CdC20 molecules which are phase-separated from MS 18 molecules in as-deposited LB films.

  19. Thermal behavior of J-aggregates in mixed Langmuir-Blodgett films composed of merocyanine dye and deuterated arachidic acid investigated by UV-visible and infrared absorption spectroscopy.

    Science.gov (United States)

    Hirano, Yoshiaki; Tateno, Shinsuke; Ozaki, Yukihiro

    2007-06-19

    We have investigated the thermal behavior of J-aggregates in the mixed Langmuir-Blodgett (LB) films composed of the merocyanine dye (MS18)-deuterated arachidic acid (C20-d) binary system in the temperature range from 25 to 250 degrees C by means of UV-visible and IR transmission absorption spectroscopy. The temperature-dependent variations in both UV-visible and IR absorption spectra indicate that the MS18 aggregation states are linked with the MS18 intramolecular charge transfer and the behavior of the packing, orientation, conformation, and thermal mobility of the MS18 hydrocarbon chain. The J-aggregate formed at 25 degrees C in the mixed LB films dissociates in the temperature range from 25 to 110 degrees C, which is mainly ascribed to the increase in the thermal mobility of MS18 hydrocarbon chain and the dissociation of the chelation by a cadmium ion to the MS18 keto group. A thermally induced blue-shifted band appears at around 515 nm from 110 to 160 degrees C. This band is attributed to oligomeric aggregation with side-by-side alignment of the MS18 transition dipole moments on the basis of the shift to a higher-energy side, broadening, and temporary increment of the MS18 intramolecular charge transfer of the band. Consequently, the appearance of the thermally induced blue-shifted band indicates the possibility that the MS18 aggregation states can be controlled from the red shift to the blue shift by the annealing method adopted in the present study.

  20. Nano-Second Isomers in Neutron-Rich Ni Region Produced by Deep-Inelastic Collisions

    International Nuclear Information System (INIS)

    Ishii, T.; Asai, M.; Matsuda, M.; Ichikawa, S.; Makishima, A.; Hossain, I.; Kleinheinz, P.; Ogawa, M.

    2001-01-01

    Nuclear structure of the doubly magic 68 Ni and its neighbors has been studied by spectroscopic techniques. Developing a new instrument isomer-scope, we have measured γ rays from nano-second isomers produced in heavy-ion deep-inelastic collisions with great sensitivity. (author)

  1. A new isomer in 195Bi identified at the focal plane of HYRA

    International Nuclear Information System (INIS)

    Roy, T.; Mukherjee, G.; Asgar, Md. A.

    2014-01-01

    Due to the presence of high-j (h 9/2 and i 13/2 ) orbitals near the proton and neutron Fermi levels, high spin isomers are expected to occur for neutron deficient Bismuth nuclei (Z = 83) in A = 190 region. A 750 ns isomer has been known for a long time in 195 Bi whose excitation energy and decay path have been reported recently. A rotational band has been reported in this nucleus based on 13/2 + isomer, originated from the deformation driving i 13/2 orbital. This band reported to have prompt feeding through a 457 keV γ-ray apart from a strong feeding from the 750 ns isomer. In 193 Bi, the 29/2 - state is a 3μs isomer, another isomer with half-life >10μs is also known in this nucleus but its excitation energy, spin and parity are not known. Similar isomer has not yet been observed in 195 Bi. The aim of the present work was to find isomers and their decays in 193,195 Bi

  2. The behaviour of EDDHA isomers in soils as influenced by soil properties.

    NARCIS (Netherlands)

    Schenkeveld, W.D.C.; Reichwein, A.M.; Temminghoff, E.J.M.; Riemsdijk, van W.H.

    2007-01-01

    FeEDDHA products are applied to correct iron chlorosis in plants and consist of a mixture of EDDHA isomers chelated to iron. In this study such mixtures have been divided into four (groups of) isomers: racemic o,o-EDDHA, meso o,o-EDDHA, o,p-EDDHA and rest-EDDHA. The physical and chemical properties

  3. Lutein and Zeaxanthin Isomers in Eye Health and Disease.

    Science.gov (United States)

    Mares, Julie

    2016-07-17

    Current evidence suggests lutein and its isomers play important roles in ocular development in utero and throughout the life span, in vision performance in young and later adulthood, and in lowering risk for the development of common age-related eye diseases in older age. These xanthophyll (oxygen-containing) carotenoids are found in a wide variety of vegetables and fruits, and they are present in especially high concentrations in leafy green vegetables. Additionally, egg yolks and human milk appear to be bioavailable sources. The prevalence of lutein, zeaxanthin, and meso-zeaxanthin in supplements is increasing. Setting optimal and safe ranges of intake requires additional research, particularly in pregnant and lactating women. Accumulating evidence about variable interindividual response to dietary intake of these carotenoids, based on genetic or metabolic influences, suggests that there may be subgroups that benefit from higher levels of intake and/or alternate strategies to improve lutein and zeaxanthin status.

  4. Table of superdeformed nuclear bands and fission isomers

    Energy Technology Data Exchange (ETDEWEB)

    Firestone, R.B. [Lawrence Berkeley Lab., CA (United States); Singh, B. [McMaster Univ., Hamilton, ON (Canada)

    1994-06-01

    A minimum in the second potential well of deformed nuclei was predicted and the associated shell gaps are illustrated in the harmonic oscillator potential shell energy surface calculations shown in this report. A strong superdeformed minimum in {sup 152}Dy was predicted for {beta}{sub 2}-0.65. Subsequently, a discrete set of {gamma}-ray transitions in {sup 152}DY was observed and, assigned to the predicted superdeformed band. Extensive research at several laboratories has since focused on searching for other mass regions of large deformation. A new generation of {gamma}-ray detector arrays is already producing a wealth of information about the mechanisms for feeding and deexciting superdeformed bands. These bands have been found in three distinct regions near A=l30, 150, and 190. This research extends upon previous work in the actinide region near A=240 where fission isomers were identified and also associated with the second potential well. Quadrupole moment measurements for selected cases in each mass region are consistent with assigning the bands to excitations in the second local minimum. As part of our committment to maintain nuclear structure data as current as possible in the Evaluated Nuclear Structure Reference File (ENSDF) and the Table of Isotopes, we have updated the information on superdeformed nuclear bands. As of April 1994, we have complied data from 86 superdeformed bands and 46 fission isomers identified in 73 nuclides for this report. For each nuclide there is a complete level table listing both normal and superdeformed band assignments; level energy, spin, parity, half-life, magneto moments, decay branchings; and the energies, final levels, relative intensities, multipolarities, and mixing ratios for transitions deexciting each level. Mass excess, decay energies, and proton and neutron separation energies are also provided from the evaluation of Audi and Wapstra.

  5. Comparative Autoignition Trends in Butanol Isomers at Elevated Pressure

    KAUST Repository

    Weber, Bryan W.

    2013-03-21

    Autoignition experiments of stoichiometric mixtures of s-, t-, and i-butanol in air have been performed using a heated rapid compression machine (RCM). At compressed pressures of 15 and 30 bar and for compressed temperatures in the range 715-910 K, no evidence of a negative temperature coefficient region in terms of ignition delay response is found. The present experimental results are also compared with previously reported RCM data of n-butanol in air. The order of reactivity of the butanols is n-butanol > s-butanol ≈ i-butanol > t-butanol at the lower pressure but changes to n-butanol > t-butanol > s-butanol > i-butanol at higher pressure. In addition, t-butanol shows preignition heat release behavior, which is especially evident at higher pressures. To help identify the controlling chemistry leading to this preignition heat release, off-stoichiometric experiments are further performed at 30 bar compressed pressure, for t-butanol at φ = 0.5 and φ = 2.0 in air. For these experiments, higher fuel loading (i.e., φ = 2.0) causes greater preignition heat release (as indicated by greater pressure rise) than the stoichiometric or φ = 0.5 cases. Comparison of the experimental ignition delays with the simulated results using two literature kinetic mechanisms shows generally good agreement, and one mechanism is further used to explore and compare the fuel decomposition pathways of butanol isomers. Using this mechanism, the importance of peroxy chemistry in the autoignition of the butanol isomers is highlighted and discussed. © 2013 American Chemical Society.

  6. Table of superdeformed nuclear bands and fission isomers

    International Nuclear Information System (INIS)

    Firestone, R.B.; Singh, B.

    1994-06-01

    A minimum in the second potential well of deformed nuclei was predicted and the associated shell gaps are illustrated in the harmonic oscillator potential shell energy surface calculations shown in this report. A strong superdeformed minimum in 152 Dy was predicted for β 2 -0.65. Subsequently, a discrete set of γ-ray transitions in 152 DY was observed and, assigned to the predicted superdeformed band. Extensive research at several laboratories has since focused on searching for other mass regions of large deformation. A new generation of γ-ray detector arrays is already producing a wealth of information about the mechanisms for feeding and deexciting superdeformed bands. These bands have been found in three distinct regions near A=l30, 150, and 190. This research extends upon previous work in the actinide region near A=240 where fission isomers were identified and also associated with the second potential well. Quadrupole moment measurements for selected cases in each mass region are consistent with assigning the bands to excitations in the second local minimum. As part of our committment to maintain nuclear structure data as current as possible in the Evaluated Nuclear Structure Reference File (ENSDF) and the Table of Isotopes, we have updated the information on superdeformed nuclear bands. As of April 1994, we have complied data from 86 superdeformed bands and 46 fission isomers identified in 73 nuclides for this report. For each nuclide there is a complete level table listing both normal and superdeformed band assignments; level energy, spin, parity, half-life, magneto moments, decay branchings; and the energies, final levels, relative intensities, multipolarities, and mixing ratios for transitions deexciting each level. Mass excess, decay energies, and proton and neutron separation energies are also provided from the evaluation of Audi and Wapstra

  7. K-Isomers as a Probe of Nuclear Structure and Advanced Applications

    Science.gov (United States)

    Kondev, F. G.

    2005-05-01

    Nuclear K-isomers play a pivotal role in understanding the structure of deformed, axially symmetric nuclei. Examples are presented of recent studies of exotic multi-quasiparticle isomers in the A˜180 rare-earth region at the extreme of angular momentum and neutron number. A specific band-mixing scenario is invoked to explain the unusual decay path of the Kπ=57/2- isomer (T1/2=22 ns) in 175Hf, the highest spin K-isomer known in nature. The discovery of a suite of high-K isomers, above the previously known Kπ=23/2- (T1/2=160 d) state in 177Lu, using deep-inelastic and multi-nucleon transfer reactions is discussed.

  8. K-Isomers as a Probe of Nuclear Structure and Advanced Applications

    International Nuclear Information System (INIS)

    Kondev, F.G.

    2005-01-01

    Nuclear K-isomers play a pivotal role in understanding the structure of deformed, axially symmetric nuclei. Examples are presented of recent studies of exotic multi-quasiparticle isomers in the A∼180 rare-earth region at the extreme of angular momentum and neutron number. A specific band-mixing scenario is invoked to explain the unusual decay path of the Kπ=57/2- isomer (T1/2=22 ns) in 175Hf, the highest spin K-isomer known in nature. The discovery of a suite of high-K isomers, above the previously known Kπ=23/2- (T1/2=160 d) state in 177Lu, using deep-inelastic and multi-nucleon transfer reactions is discussed

  9. Aqueous phase partitioning of hexachlorocyclohexane (HCH) isomers by biosurfactant produced by Pseudomonas aeruginosa WH-2

    International Nuclear Information System (INIS)

    Sharma, Suman; Singh, Partapbir; Raj, Mayil; Chadha, Bhupinder Singh; Saini, Harvinder Singh

    2009-01-01

    The different isomers of technical-grade hexachlorocyclohexane (t-HCH) including the insecticidal γ-isomer, commonly known as lindane, have been reported to be toxic, carcinogenic and endocrine disrupters. The spatial arrangements of the chlorine atoms on different isomers and low aqueous phase solubility contribute to their persistence in environment, β-HCH being the most resistance to transformation. The biosurfactant preparation of Pseudomonas aeruginosa isolate WH-2 was evaluated for its ability to improve the aqueous phase partitioning of different isomers of HCH-muck. Further, the ability of biosurfactant preparation to emulsify HCH and n-hexadecane was checked under different conditions, usually characteristic of sites contaminated with pollutants viz. wide range of pH, temperature, and salinity. The data obtained from this study will be helpful in designing suitable bioremediation strategies for huge stock piles of HCH-muck and sites polluted by reckless use/disposal of HCH-isomers.

  10. Polarization holographic optical recording of a new photochromic diarylethene

    Science.gov (United States)

    Pu, Shouzhi; Miao, Wenjuan; Chen, Anyin; Cui, Shiqiang

    2008-12-01

    A new symmetrical photochromic diarylethene, 1,2-bis[2-methyl-5-(3-methoxylphenyl)-3-thienyl]perfluorocyclopentene (1a), was synthesized, and its photochromic properties were investigated. The compound exhibited good photochromism both in solution and in PMMA film with alternating irradiation by UV/VIS light, and the maxima absorption of its closed-ring isomer 1b are 582 and 599 nm, respectively. Using diarylethene 1b/PMMA film as recording medium and a He-Ne laser (633 nm) for recording and readout, four types of polarization and angular multiplexing holographic optical recording were performed perfectly. For different types of polarization recording including parallel linear polarization recording, parallel circular polarization recording, orthogonal linear polarization recording and orthogonal circular polarization recording,have been accomplished successfully. The results demonstrated that the orthogonal circular polarization recording is the best method for polarization holographic optical recording when this compound was used as recording material. With angular multiplexing recording technology, two high contrast holograms were recorded in the same place on the film with the dimension of 0.78 μm2.

  11. Enhanced E3 transitions and mixed configurations for core excited isomers in 210At and 211At

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Steed, C.A.; Byrne, A.P.; Poletti, S.J.; Stuchbery, A.E.; Bark, R.A.

    1986-09-01

    The lifetime and branching ratio of the 19 + isomer in 210 At have been measured. Its enhanced E3 decay and g-factor, and those of the related 39/2 - isomer in 211 At are compared with the results of a semi-empirical shell model calculation which includes couplings to the 3 - octupole vibration, resulting in mixed configurations. Lifetimes were also obtained for the 15 - isomer in 210 At, and he 29/2 + isomer in 209 At

  12. Precessing deuteron polarization

    International Nuclear Information System (INIS)

    Sitnik, I.M.; Volkov, V.I.; Kirillov, D.A.; Piskunov, N.M.; Plis, Yu.A.

    2002-01-01

    The feasibility of the acceleration in the Nuclotron of deuterons polarized in the horizontal plane is considered. This horizontal polarization is named precessing polarization. The effects of the main magnetic field and synchrotron oscillations are included. The precessing polarization is supposed to be used in studying the polarization parameters of the elastic dp back-scattering and other experiments

  13. Structural-based differences in ecotoxicity of benzoquinoline isomers to the zebra mussel (Dreissena polymorpha)

    Energy Technology Data Exchange (ETDEWEB)

    Kraak, M.H.S.; Wijnands, P.; Govers, H.A.J.; Admiraal, W.; Voogt, P. de [Univ. of Amsterdam (Netherlands)

    1997-10-01

    Effects of four benzoquinoline isomers on the filtration rate of the zebra mussel (Dreissena polymorpha) were analyzed, to study the effect of minor differences in chemical structure on adverse biological effects. Filtration rates were measured after 48 h of exposure to different concentrations of acridine, phenanthridine, benzo[f]quinoline, and benzo[h]quinoline in the water. The 50% effective concentration (EC50) values for filtration rate of the four isomers differed significantly. Effects increased in the order benzo[f], -[h], -[b], and -[c]quinoline, and the difference between the most toxic isomer and the least toxic isomer amounted to a factor of 30. Attempts were made to relate these differences in toxicity to the structure of the isomers. Size- or topology-related molecular descriptors provided insufficient resolution to distinguish between the benzoquinoline isomers, and none of the electronic descriptors separately provided a significant correlation with the observed effects. In an alternative approach, molecular shape, accessibility, and minimum agent-macromolecule distance were used to represent repulsive and attractive forces between the benzoquinoline isomers and biological membranes. This approach could tentatively explain the observed effects and is supported by a high correlation between the EC50 data and the reversed-phase C18-HPLC behavior of the benzoquinolines (k{sub 0}), which is likely to be governed by similar processes.

  14. Polare maskuliniteter

    Directory of Open Access Journals (Sweden)

    Marit Anne Hauan

    2012-05-01

    Full Text Available In this paper my aim is to read and understand the journal of Gerrit de Veer from the last journey of William Barents to the Arctic Regions in 1596 and the journal of captain Junge on his hunting trip from Tromsø to Svalbard in 1834.It is nearly 240 years between this to voyages. The first journal is known as the earliest report from the arctic era. Gerrit de Veer adds instructive copper engravings to his text and give us insight in the crews meeting with this new land. Captain Junges journal is found together with his dead crew in a house in a fjord nearby Ny-Ålesund and has no drawings, but word. Both of these journals may be read as sources of the knowledge and understanding of the polar region. They might also unveil the ideas of how to deal with and survive under the challenges that is given. In addition one can ask if the sources can tell us more about how men describe their challenges. Can the way they expressed themselves in the journals give us an understanding of masculinity? And not least help us to create good questions of the change in the ideas of masculinities which is said to follow the change in understanding of the wilderness.

  15. Toroidal high-spin isomers in the nucleus 304120

    Science.gov (United States)

    Staszczak, A.; Wong, Cheuk-Yin; Kosior, A.

    2017-05-01

    Background: Strongly deformed oblate superheavy nuclei form an intriguing region where the toroidal nuclear structures may bifurcate from the oblate spheroidal shape. The bifurcation may be facilitated when the nucleus is endowed with a large angular moment about the symmetry axis with I =Iz . The toroidal high-K isomeric states at their local energy minima can be theoretically predicted using the cranked self-consistent Skyrme-Hartree-Fock method. Purpose: We use the cranked Skyrme-Hartree-Fock method to predict the properties of the toroidal high-spin isomers in the superheavy nucleus 120304184. Method: Our method consists of three steps: First, we use the deformation-constrained Skyrme-Hartree-Fock-Bogoliubov approach to search for the nuclear density distributions with toroidal shapes. Next, using these toroidal distributions as starting configurations, we apply an additional cranking constraint of a large angular momentum I =Iz about the symmetry z axis and search for the energy minima of the system as a function of the deformation. In the last step, if a local energy minimum with I =Iz is found, we perform at this point the cranked symmetry- and deformation-unconstrained Skyrme-Hartree-Fock calculations to locate a stable toroidal high-spin isomeric state in free convergence. Results: We have theoretically located two toroidal high-spin isomeric states of 120304184 with an angular momentum I =Iz=81 ℏ (proton 2p-2h, neutron 4p-4h excitation) and I =Iz=208 ℏ (proton 5p-5h, neutron 8p-8h) at the quadrupole moment deformations Q20=-297.7 b and Q20=-300.8 b with energies 79.2 and 101.6 MeV above the spherical ground state, respectively. The nuclear density distributions of the toroidal high-spin isomers 120304184(Iz=81 ℏ and 208 ℏ ) have the maximum density close to the nuclear matter density, 0.16 fm-3, and a torus major to minor radius aspect ratio R /d =3.25 . Conclusions: We demonstrate that aligned angular momenta of Iz=81 ℏ and 208 ℏ arising from

  16. Separation of cis/trans fatty acid isomers on gas chromatography compared to the Ag-TLC method

    Directory of Open Access Journals (Sweden)

    Sundaresan, A.

    2013-03-01

    Full Text Available The present study investigates the separation of the cis/trans isomers of fatty acids on the 75 m SP2560 column under different gas chromatographic (GC conditions including an isothermal program and a time-temperature program. The time-temperature program showed improved separation of cis/trans isomers of C14:1, C16:1, C18:1, C18:2 and C18:3 fatty acids along with short chain fatty acids compared to the isothermal program. The separation of trans/trans isomers of C18:1 fatty acids including elaidic acid (C18:1 ∆9t and vaccenic acid (C18:1 ∆11t was difficult with the time-temperature program. The thin layer chromatography impregnated with silver nitrate (Ag- TLC method was performed to separate cis/trans fractions and GC analysis was carried out with the trans fraction. But GC analysis showed a co-elution of trans isomers of C18:1 fatty acid. Thus the study shows that a time-temperature programmed GC method with the highly polar cyanopropyl column is sufficient to resolve trans fatty acids along with short chain fatty acids when a large number of samples has to be analyzed.El presente estudio investiga la separación de isómeros cis/trans de ácidos grasos mediante cromatografía de gases (GC utilizando una columna de SP2560 de 75 m y diferentes condiciones que incluyen un programa isotérmico y una programación temperatura-tiempo. La programación temperatura- tiempo mostró una mejor separación de isómeros cis / trans de los ácidos grasos C14:1, C16:1, C18:1, C18:2 y C18:3 con los ácidos grasos de cadena corta en comparación con el programa isotermo. La separación de los isómeros trans/trans de los ácidos grasos C18:1 incluyendo ácido elaídico (C18:1 Δ9t y ácido vaccénico (C18:1Δ11t fué difícil mediante programación temperatura-tiempo. La cromatografía en capa fina impregnada con nitrato de plata (Ag-TLC se realizó para separar fracciones cis/trans y el análisis de la fracciones se llevó a cabo mediante GC. El an

  17. Theoretical studies of possible toroidal high-spin isomers in the light-mass region

    Directory of Open Access Journals (Sweden)

    Staszczak Andrzej

    2016-01-01

    Full Text Available We review our theoretical knowledge of possible toroidal high-spin isomers in the light mass region in 28≤A≤52 obtained previously in cranked Skyrme-Hartree-Fock calculations. We report additional toroidal high-spin isomers in 56Ni with I=114ħ and 140ħ, which follow the same (multi-particle–(multi-hole systematics as other toroidal high-spin isomers. We examine the production of these exotic nuclei by fusion of various projectiles on 20Ne or 28Si as an active target in time-projection-chamber (TPC experiments.

  18. Effects of high-order deformation on high-K isomers in superheavy nuclei

    International Nuclear Information System (INIS)

    Liu, H. L.; Bertulani, C. A.; Xu, F. R.; Walker, P. M.

    2011-01-01

    Using, for the first time, configuration-constrained potential-energy-surface calculations with the inclusion of β 6 deformation, we find remarkable effects of the high-order deformation on the high-K isomers in 254 No, the focus of recent spectroscopy experiments on superheavy nuclei. For shapes with multipolarity six, the isomers are more tightly bound and, microscopically, have enhanced deformed shell gaps at N=152 and Z=100. The inclusion of β 6 deformation significantly improves the description of the very heavy high-K isomers.

  19. Solvation effect on isomer stability and electronic structures of protonated serotonin

    Science.gov (United States)

    Omidyan, Reza; Amanollahi, Zohreh; Azimi, Gholamhassan

    2017-07-01

    Microsolvation effect on geometry and transition energies of protonated serotonin has been investigated by MP2 and CC2 quantum chemical methods. Also, conductor-like screening model, implemented recently in the MP2 and ADC(2) methods, was examined to address the bulk water environment's effect on the isomer stability and electronic transition energies of protonated serotonin. It has been predicted that the dipole moment of gas phase isomers plays the main role on the isomer stabilization in water solution and electronic transition shifts. Also, both red- and blue-shift effects have been predicted to take place on electronic transition energies, upon hydration.

  20. Identification of a new isomer from a reversible isomerization of ceftriaxone in aqueous solution.

    Science.gov (United States)

    Tian, Ye; Lu, Li; Chang, Yan; Zhang, Dou-sheng; Li, Jin; Feng, Yan-Chun; Hu, Chang-Qin

    2015-01-01

    A reversible isomerization of ceftriaxone in aqueous solution was observed, and the structure of the isomer was determined by mass spectrometry and various 1D and 2D NMR techniques. The mechanism of isomerization was also discussed. Finally, molecular docking simulations were performed and the antimicrobial activities of the isomers were measured. This showed that the biological activity of ceftriaxone was stronger than that of its isomer. The results reported in this article may be important to quality control requirements and to the stability of ceftriaxone products. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Isomer-specific regulation of metabolism and PPARgamma signaling by CLA in human preadipocytes

    DEFF Research Database (Denmark)

    Brown, J Mark; Boysen, Maria Sandberg; Jensen, Søren Skov

    2003-01-01

    Trans-10,cis-12 conjugated linoleic acid (CLA) has previously been shown to be the CLA isomer responsible for CLA-induced reductions in body fat in animal models, and we have shown that this isomer, but not the cis-9,trans-11 CLA isomer, specifically decreased triglyceride (TG) accumulation...... transporter 4 gene expression. Furthermore, trans-10,cis-12 CLA reduced oleic acid uptake and oxidation when compared with all other treatments. In parallel to CLA's effects on metabolism, trans-10,cis-12 CLA decreased, whereas cis-9,trans-11 CLA increased, the expression of peroxisome proliferator...

  2. Dysregulatory effects of retinoic acid isomers in late zebrafish embryos.

    Science.gov (United States)

    Navarro-Martín, Laia; Oliveira, Eva; Casado, Marta; Barata, Carlos; Piña, Benjamin

    2018-02-01

    All-trans retinoic acid (atRA) and 9-cis retinoic acid (9cRA) are two natural derivatives of vitamin A that contribute to the normal vertebrate development by affecting gene expression through the retinoic acid signalling pathway. We show transcriptomic effects of the ectopic addition of atRA or 9cRA to zebrafish embryos at the posthatching embryonic stage. Exposure for 24 or 72 h to sublethal concentrations of both isomers resulted in characteristic transcriptome changes, in which many proliferation and development-related genes became underexpressed, whereas genes related to retinoid metabolism and some metabolic functions became overrepresented. While short and long exposures elicit essentially the same set of genes, atRA specifically induced expression of a specific subset of proteases, likely acting at the extracellular level, and of elements of the response to xenobiotics. These results reflect the well-known antiproliferative activity of retinoids, and they suggest a dysregulation of the developmental process at final stages of embryogenesis. They also indicate a potential role of endopeptidases as markers of developmental alterations, as well as their possible control by the retinoic signalling pathway. We propose to monitor mRNA levels of cyp16a, cyp16b, and cyp16c in zebrafish embryos as a bioassay for retinoid disruption.

  3. Isomers of fluoroamphetamines detected in forensic cases in Denmark

    DEFF Research Database (Denmark)

    Johansen, Sys Stybe; Hansen, Tina Maria

    2012-01-01

    A study was performed on the detection, separation and quantification of isomers from the new designer drugs named fluoroamphetamines (FAs) in forensic cases in eastern Denmark. The drugs were detected in whole blood extracts by ultraperformance liquid chromatography with time of flight mass...... by the retention time, multiple reaction monitoring (MRM) traces [154¿>¿109 (quantifier); 154¿>¿137], and ion ratio of the two transitions. For all FAs, LOQ was 0.002 mg/kg with linear ranges from 0.002 to 1.0 mg/kg whole blood. Since 2008, a total of 15 forensic investigations, mainly driving under the influence...... of drugs (DUID) cases, involving 4-fluoroamphetamine (4-FA) have been observed with whole blood concentrations ranging from 0.006 to 0.58 mg/kg. One autopsy case involved 4-FA; however, it was determined to be a combined intoxication. In 2010, ortho-fluoroamphetamine (2-FA) was discovered in forensic...

  4. Identifying Tm-C82 isomers with density functional theory calculations

    International Nuclear Information System (INIS)

    Zheng Limin; He Hongqing; Yang Minghui; Zeng Qun; Yang Mingli

    2010-01-01

    Density functional theory calculations have been performed to study the geometrical and electronic properties of endohedral metallofullerene Tm-C 82 isomers. Three energetically favorable isomers (with C s , C 2 and C 2v symmetry, respectively) are identified which are consistent with the nuclear magnetic resonance (NMR) observations. The simulated ultraviolet photoelectron spectra (UPS) based on the three structures agree well with the measurements. Particularly, the parent cage of the experimentally observed Tm-C 82 isomer with C s symmetry is newly assigned, which matches the experiments better than early assignments. In addition, strong interaction between an endohedral Tm atom and the C 82 cage is discussed and is thought to be responsible for the dramatic change in the relative stability of C 82 isomers when Tm is encapsulated.

  5. G-factor for the K-6, Jsup(π) = 6+ isomer in 178Hf

    International Nuclear Information System (INIS)

    Faestermann, T.; Haeusser, O.; Ward, D.; Andrews, H.R.; Alexander, T.K.; Horn, D.

    1978-01-01

    High-K isomers are prevalent towards the end of the rare-earth region of deformed nuclei where the valence particles fill high Ω orbitals. Very little is known about the g-factors for these isomers mainly because in the half-life range encountered, 50 ns-50 μs, quadrupole and paramagnetic relaxation effects can destroy the nuclear alignment very rapidly. In 178 Hf a Isub(π)K=6 + 6 isomer with a half-life of 78 ns has recently been found. It decays predominantly to the ground band (K=O) 6 + and 4 + levels with gamma rays of 921.8 keV and 1247.3 keV respectively. The authors have measured the g-factor of this isomer with the method of perturbed angular distributions. (Auth.)

  6. Investigating carbohydrate isomers by IMS-CID-IMS-MS: precursor and fragment ion cross-sections.

    Science.gov (United States)

    Gaye, M M; Kurulugama, R; Clemmer, D E

    2015-10-21

    Ion mobility spectrometry techniques (IMS and IMS-IMS) combined with collision-induced dissociation (CID) and mass spectrometry (MS) are used to investigate the structures of singly-lithiated carbohydrate isomers. With the exception of some favorable cases, IMS-MS analyses of underivatized carbohydrates reveal that most isobaric precursor ions have similar collision cross sections (ccs). In contrast, ccs values for isomeric fragment ions obtained by IMS-CID-IMS-MS analysis are often different, and thus appear to be useful as a means of distinguishing the isomeric precursors. We report values of ccs (in He) for precursor- and associated-fragment ions for three monosaccharide isomers (glucose, galactose and fructose), ten disaccharide isomers (sucrose, leucrose, palatinose, trehalose, cellobiose, β-gentiobiose, isomaltose, maltose, lactose and melibiose), and three trisaccharide isomers (raffinose, melezitose and maltotriose). These values are discussed as a means of differentiating precursor carbohydrates.

  7. Mannose7 Glycan Isomer Characterization by IMS-MS/MS Analysis

    Science.gov (United States)

    Zhu, Feifei; Lee, Sunyoung; Valentine, Stephen J.; Reilly, James P.; Clemmer, David E.

    2012-12-01

    The isomers of the Man7GlcNAc2 glycan obtained from bovine ribonuclease B have been characterized by ion mobility spectrometry-tandem mass spectrometry (IMS-MS/MS). In these experiments, [Man7 + 2Na]2+ precursors having different mobilities are selected by ion mobility spectrometry and analyzed by MS/MS techniques in an ion trap. The fragmentation spectra obtained for various precursor ions are specific, suggesting the isolation or enrichment of different glycan isomers. One fragment ion with a mass-to-charge ratio ( m/z) of 903.8 is found to correspond to the loss of an internal mannose residue of a specific isomer. Extracted fragment ion drift time distributions (XFIDTDs) yield distinctive precursor ion drift time profiles indicating the existence of four separate isomers as proposed previously.

  8. The Creation and Destruction of Hf-178m2 Isomer by Neutron Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Hsiao-Hua [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); TechSource, Inc. Los Alamos, NM (United States); Talbert, Willard L. [TechSource, Inc. Los Alamos, NM (United States); Ward, Tom [TechSource, Inc. Los Alamos, NM (United States)

    2017-03-06

    The property of the isomer state in 178m2Hf was an interesting topic in nuclear structure studies during the time period 1970 to 1980. The state at 2.446 MeV with spin and parity Kπ = 16+, has a half-life of 31 years. The isomer is described as a four-quasi-particle state. The K forbidden deexcitatiion by gamma emission is the reason for long half-life. During 1980, the isomer became a troublesome issue for radiation safety workers, because this isomer can also be produced in the first wall of a fussion reactor containing tungsten and also in a tungsten beam stop of a high-energy accelerator.

  9. Study on Separation of Structural Isomer with Magneto-Archimedes method

    Science.gov (United States)

    Kobayashi, T.; Mori, T.; Akiyama, Y.; Mishima, F.; Nishijima, S.

    2017-09-01

    Organic compounds are refined by separating their structural isomers, however each separation method has some problems. For example, distillation consumes large energy. In order to solve these problems, new separation method is needed. Considering organic compounds are diamagnetic, we focused on magneto-Archimedes method. With this method, particle mixture dispersed in a paramagnetic medium can be separated in a magnetic field due to the difference of the density and magnetic susceptibility of the particles. In this study, we succeeded in separating isomers of phthalic acid as an example of structural isomer using MnCl2 solution as the paramagnetic medium. In order to use magneto-Archimedes method for separating materials for food or medicine, we proposed harmless medium using oxygen and fluorocarbon instead of MnCl2 aqueous solution. As a result, the possibility of separating every structural isomer was shown.

  10. Gamma spectroscopy within the island of high-spin isomers near N = 82

    International Nuclear Information System (INIS)

    Borggreen, J.; Bjoernholm, S.; Christensen, O.; Del Zoppo, A.; Herskind, B.; Pedersen, J.; Sletten, G.

    1980-01-01

    A NaI sum-spectrometer combined with Ge-counters has been used to characterize the members of the island of high spin isomers near N = 82. On the basis of half lives, total γ-decay energies and discrete γ-lines, assignments of 22 isomers are given or confirmed. The isomers are localized to the region 82 <= N <= 86 and Z <= 68, and the excitation energies vary from 3 MeV to 12.2 MeV. An empirical relation between spin and excitation energy is presented and on this basis isomeric spin values up to (33 +- 2)h are deduced. The isomers are thought to be due to strong alignment of 2 to 8 shellmodel particles in a spherical or possibly weakly oblate potential. (orig.) 891 FKS/orig. 892 HIS

  11. Detection of trans-isomers of hydrocarbon residues of lipid molecules by IR absorption

    Science.gov (United States)

    Mikhalovsky, I. S.; Samoylov, M. V.; Wileishikova, N. P.

    2009-01-01

    IR spectroscopy is used for a comparative analysis of the trans-isomerization of double bonds in hydrocarbon residuals of lactic and hydrogenated lipids. The maximum of the absorption band of the trans-isomers for all the lipid samples is found to lie at 965 cm-1. An absorption band at 970 cm-1 is discovered in the spectra of the lactic lipids near the analytic band of the trans-isomers at 965 cm-1. Based on a gaussian approximation for their absorption spectral bands, the trans-isomer content in the lactic lipid samples is 10-11%. The absorption by lipid molecules at 970 cm-1 has to be taken into account when determining the trans-isomer content of fat and oil products.

  12. Isomer shift and magnetic moment of the long-lived 1/2$^{+}$ isomer in $^{79}_{30}$Zn$_{49}$: signature of shape coexistence near $^{78}$Ni

    CERN Document Server

    Yang, X.F.; Xie, L.; Babcock, C.; Billowes, J.; Bissell, M.L.; Blaum, K.; Cheal, B.; Flanagan, K.T.; Garcia Ruiz, R. F.; Gins, W.; Gorges, C.; Grob, L.K.; Heylen, H.; Kaufmann, S.; Kowalska, M.; Kraemer, J.; Malbrunot-Ettenauer, S.; Neugart, R.; Neyens, G.; Nörtershäuser, W.; Papuga, J.; Sánchez, R.; Yordanov, D.T.

    2016-01-01

    Collinear laser spectroscopy has been performed on the $^{79}_{30}$Zn$_{49}$ isotope at ISOLDE-CERN. The existence of a long-lived isomer with a few hundred milliseconds half-life was confirmed, and the nuclear spins and moments of the ground and isomeric states in $^{79}$Zn as well as the isomer shift were measured. From the observed hyperfine structures, spins $I = 9/2$ and $I = 1/2$ are firmly assigned to the ground and isomeric states. The magnetic moment $\\mu$ ($^{79}$Zn) = $-$1.1866(10) $\\mu_{\\rm{N}}$, confirms the spin-parity $9/2^{+}$ with a $\

  13. Altered stereoselectivity of cocaine and bupivacaine isomers in normal and batrachotoxin-modified Na+ channels

    Science.gov (United States)

    1992-01-01

    The inhibitory effects of local anesthetics (LAs) of cocaine and bupivacaine optical isomers on Na+ currents were studied in clonal GH3 cells under whole-cell patch clamp conditions. At holding potential of - 100 mV, all four isomers inhibited peak Na+ currents when the cell was stimulated infrequently. The dose-response curves of this tonic block of peak Na+ currents by (-)/(+) cocaine and (-)/(+) bupivacaine were well fitted by the Langmuir isotherm, suggesting that one LA isomer blocked one Na+ channel. Each pair of isomers showed no greater than a twofold difference in stereoselectivity toward Na+ channels. Additional block of Na+ currents occurred when the cell was stimulated at 2 Hz. This use-dependent block was also observed in all four isomers, which again displayed little stereoselectivity. The voltage dependence of the use-dependent block produced by cocaine isomers did not overlap with the activation of Na+ channels but did overlap with the steady-state inactivation (h infinity), indicating that cocaine can bind directly to the inactivated state of Na+ channels before channel opening. In comparison, the peak batrachotoxin (BTX)-modified Na+ currents were little inhibited by cocaine and bupivacaine isomers. However, the maintained BTX-modified Na+ currents were highly sensitive toward the (- ) form of cocaine and bupivacaine isomers during a prolonged depolarization. As a result, a profound time-dependent block of BTX- modified Na+ currents was evident in the presence of these LA isomers. The estimated values of the equilibrium dissociation constant (KD in micromolar) at +50 mV were 35.8, 661, 7.0, and 222 for (-)/(+) cocaine and (-)/(+) bupivacaine, respectively. Although chloramine-T (CT) also modified the fast inactivation of Na+ channels and gave rise to a maintained Na+ current during a prolonged depolarization, LA isomers showed no greater stereoselectivity in blocking this maintained current than in blocking the normal transient Na+ current. We

  14. On the isomers of pyridine-4-carboxaldoxime and its nitrate salt, X-ray crystal structure and quantum chemical calculations

    Science.gov (United States)

    Soliman, Saied M.; Albering, Jörg; Abu-Youssef, Morsy A. M.

    2017-07-01

    The reaction between nitric acid and pyridine-4-carboxaldoxime (P4A) afford the corresponding pyridinum nitrate salt (P4AN). Its X-ray structure is measured and compared with the related P4A salts. The DFT/B3LYP results showed that both the P4A and P4AN favored the Syn-I form which has the lowest energy among the other possible isomers. Transition state calculations predicted that the Syn-I form is the thermodynamically and kinetically most stable form. The X-ray solid state structure of the new nitrate salt (P4AN) indicated that the labile proton favored the N-atom of the pyridine ring. DFT studies showed that the same is true for its solution in polar solvents. In contrast, the pyridinium cation is not favored either in the gas phase or solution of P4AN in nonpolar solvent. In these cases, the proton favored to bond with one O-atom from the nitrate group. Second order interaction energies and Mayer bond order values revealed these results. The bond order of the Nsbnd H bond is higher in polar solvents as well as at the experimental structure than either in the gas phase or non polar solvents. The topology parameters obtained from the atoms in molecules (AIM) analysis were used to describe the nature of the Nsbnd H and Osbnd H bonds. The bond critical points (BCP) were found to be close to the H-atoms in case of stronger interaction.

  15. 11-nor-9-carboxy-Δ9-tetrahydrocannabinol glucuronide exhibits acyl-migration isomers.

    Science.gov (United States)

    Hanisch, Stephanie; Paulke, Alexander; Toennes, Stefan W

    2017-11-30

    11-nor-Δ 9 -Tetrahydrocannabinol-9-carboxylic acid glucuronide (THCCOOH-glucuronide) is an 1-β-O-acyl glucuronide which degrades not only to 11-nor-9-carboxy-Δ 9 -THC (THCCOOH) but, additionally, to an isomer with a currently unknown structure. The present study was carried out to examine whether acyl glucuronide isomers are formed by acyl migration and if they are involved in formation of this isomer. THCCOOH-glucuronide was incubated in phosphate buffer (pH 7.4, 37°C, 7days) and a variety of glucuronide cleavage procedures were performed. Samples of the incubation mixture and of different biological specimens from cannabis users were analyzed using liquid chromatography-mass spectrometry (LC-MS/MS). A total of six chromatographically separated isomeric acyl glucuronides were detected during incubation of THCCOOH-glucuronide reference substance. In biological specimens of cannabis users, two additional isomers were found. However, the main glucuronide present in human specimens was different from that of a commercially available reference substance. Both, the commercial and the authentic glucuronide were cleaved by β-glucuronidases, the other formed isomers by alkaline hydrolysis only. Mass spectrometric investigations (i.e. product ion, precursor ion and neutral loss scans) confirmed identity. The THCCOOH isomer was detected in all authentic samples, but not in those after buffer incubation. By analyzing THCCOOH-glucuronide in authentic samples, it has to be taken into account that the authentic glucuronide is different from that of the commercial reference standard. THCCOOH-glucuronide undergoes acyl migration and some isomers occur to minor extents in biological specimens. Acyl migration does not lead to the formation of the THCCOOH isomer. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Conversion electron spectrum of the (1/2)+ isomer of 235U

    International Nuclear Information System (INIS)

    Zhudov, V.I.; Zelenkov, A.G.; Kulakov, V.M.; Mostovoj, V.I.; Odinov, B.V.

    1979-01-01

    The differential conversion electron spectrum of the (1/2) + isomer of 235 U was measured. Three lines were detected in the spectrum which correspond to conversion by the (6psub(1/2)) 2 , (6psub(3/2)) 4 and 6d electron shells of a uranium atom. The excitation energy of the isomer was determined as (76+-2) eV. (author)

  17. 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.

  18. 241Am (n,gamma) isomer ratio measurement

    Energy Technology Data Exchange (ETDEWEB)

    Bond, Evelyn M [Los Alamos National Laboratory; Vieira, David J [Los Alamos National Laboratory; Moody, Walter A [Los Alamos National Laboratory; Slemmons, Alice K [Los Alamos National Laboratory

    2011-01-05

    The objective of this project is to improve the accuracy of the {sup 242}Cm/{sup 241}Am radiochemistry ratio. We have performed an activation experiment to measure the {sup 241}Am(n,{gamma}) cross section leading to either the ground state of {sup 242g}Am (t{sub 1/2} = 16 hr) which decays to {sup 242}Cm (t{sub 1/2} = 163 d) or the long-lived isomer {sup 242m}Am (t{sub 1/2} = 141 yr). This experiment will develop a new set of americium cross section evaluations that can be used with a measured {sup 242}Cm/{sup 241}Am radiochemical measurement for nuclear forensic purposes. This measurement is necessary to interpret the {sup 242}Cm/{sup 241}Am ratio because a good measurement of this neutron capture isomer ratio for {sup 241}Am does not exist. The targets were prepared in 2007 from {sup 241}Am purified from LANL stocks. Gold was added to the purified {sup 241}Am as an internal neutron fluence monitor. These targets were placed into a holder, packaged, and shipped to Forschungszentrum Karlsruhe, where they were irradiated at their Van de Graff facility in February 2008. One target was irradiated with {approx}25 keV quasimonoenergetic neutrons produced by the {sup 7}Li(p,n) reaction for 3 days and a second target was also irradiated for 3 days with {approx}500 keV neutrons. Because it will be necessary to separate the {sup 242}Cm from the {sup 241}Am in order to measure the amount of {sup 242}Cm by alpha spectrometry, research into methods for americium/curium separations were conducted concurrently. We found that anion exchange chromatography in methanol/nitric acid solutions produced good separations that could be completed in one day resulting in a sample with no residue. The samples were returned from Germany in July 2009 and were counted by gamma spectrometry. Chemical separations have commenced on the blank sample. Each sample will be spiked with {sup 244}Cm, dissolved and digested in nitric acid solutions. One third of each sample will be processed at a time

  19. Quantification of Structural Isomers via Mode-Selective Irmpd

    Science.gov (United States)

    Polfer, Nicolas C.

    2016-06-01

    Mixtures of structural isomers can pose a challenge for vibrational ion spectroscopy. In cases where particular structures display diagnostic vibrations, these structures can be selectively "burned away". In ion traps, the ion population can be subjected to multiple laser shots, in order to fully deplete a particular structure, in effect allowing a quantification of this structure. Protonated para-amino benzoic acid (PABA) serves as an illustrative example. PABA is known to preferentially exist in the N-protonated (N-prot) form in solution, but in the gas phase it is energetically favorable in the O-protonated (O-prot) form. As shown in Figure 1, the N-prot structure can be kinetically trapped in the gas phase when sprayed from non-protic solvent, whereas the O-prot structure is obtained when sprayed from protic solvents, analogous to results by others [1,2]. y parking the light source on the diagnostic 3440 wn mode, the percentage of the O-prot structure can be determined, and by default the remainder is assumed to adopt the N-prot structure. It will be shown that the relative percentages of O-prot vs N-prot are highly dependent on the solvent mixture, going from close to 0% O-prot in non-protic solvents, to 99% in protic solvents. Surprisingly, water behaves much more like a non-protic solvent than methanol. It is observed that the capillary temperature, which aids droplet desolvation by black-body radiation in the ESI source, is critical to promote the appearance of O-prot structures. These results are consistent with the picture that a protic bridge mechanism is at play to facilitate proton transfer, and thus allow conversion from N-prot to O-prot, but that this mechanism is subject to appreciable kinetic barriers on the timescale of solvent evaporation. 1. J. Phys. Chem. A 2011, 115, 7625. 2. Anal. Chem. 2012, 84, 7857.

  20. Ultrafast time-resolved absorption spectroscopy of geometric isomers of carotenoids

    International Nuclear Information System (INIS)

    Niedzwiedzki, Dariusz M.; Sandberg, Daniel J.; Cong, Hong; Sandberg, Megan N.; Gibson, George N.; Birge, Robert R.; Frank, Harry A.

    2009-01-01

    The structures of a number of stereoisomers of carotenoids have been revealed in three-dimensional X-ray crystallographic investigations of pigment-protein complexes from photosynthetic organisms. Despite these structural elucidations, the reason for the presence of stereoisomers in these systems is not well understood. An important unresolved issue is whether the natural selection of geometric isomers of carotenoids in photosynthetic pigment-protein complexes is determined by the structure of the protein binding site or by the need for the organism to accomplish a specific physiological task. The association of cis isomers of a carotenoid with reaction centers and trans isomers of the same carotenoid with light-harvesting pigment-protein complexes has led to the hypothesis that the stereoisomers play distinctly different physiological roles. A systematic investigation of the photophysics and photochemistry of purified, stable geometric isomers of carotenoids is needed to understand if a relationship between stereochemistry and biological function exists. In this work we present a comparative study of the spectroscopy and excited state dynamics of cis and trans isomers of three different open-chain carotenoids in solution. The molecules are neurosporene (n = 9), spheroidene (n = 10), and spirilloxanthin (n = 13), where n is the number of conjugated π-electron double bonds. The spectroscopic experiments were carried out on geometric isomers of the carotenoids purified by high performance liquid chromatography (HPLC) and then frozen to 77 K to inhibit isomerization. The spectral data taken at 77 K provide a high resolution view of the spectroscopic differences between geometric isomers. The kinetic data reveal that the lifetime of the lowest excited singlet state of a cis-isomer is consistently shorter than that of its corresponding all-trans counterpart despite the fact that the excited state energy of the cis molecule is typically higher than that of the trans

  1. Identification of Apo- Carotenoids' Crocin and Crocetin Isomers in Saffron Crude Extracts by HPLC Coupled to Atmospheric Pressure Chemical Ionization and High Resolution Orbitrap Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Noraddin Hosseinpour azad

    2017-01-01

    Full Text Available The main metabolites in saffron are the Apo- carotenoids’ Crocin and Crocetin. Color intensity and quality of saffron mostly depend on the presence of Crocins that are glycosylated steric form of Crocetin by glycosyltransferase enzyme. The aim of this study is the characterization of these metabolites in methanolic and chloroformic extracts of saffron stigmas during anthesis stage by LC-APCI-MS. Identification of cis and trans isomers of Crocin and Crocetin was done by three parameters such as mass spectra registered in the negative ion mode, retention time and absorption ratio related to each metabolites. The variability of these parameters made it possible to detect the Crocins isomer with regard to the attached position and the number of UDP- glucose and Gentiobiosyl molecules to Crocetin structure. Crocins was the mainly detected components as there are polar components that are classified in the carotenoeids groups and the strified form of Crocetin Glucose (β-D-Glucopyranosyl and Gentiobiose (β-D-Glucopyranosyl-D-Glucose. Also doubly charged ions were found for trans-isomers of Crocin-4, due to the high symmetry of their molecules. Based on the data gathered, the applied chromatograph Machin in this project is accurate and it is most sensitive tools to investigate about plants’ natural components like saffron, also the used APCI-MS in negative ions mode is the most efficient method to distinguish different steric forms of Crocin based on the ion’s fragments related to united reduction of glycosyl and gentiobiosyl as well as molecular fractions.

  2. Geographical Income Polarization

    DEFF Research Database (Denmark)

    Azhar, Hussain; Jonassen, Anders Bruun

    inter municipal income inequality. Counter factual simulations show that rising property prices to a large part explain the rise in polarization. One side-effect of polarization is tendencies towards a parallel polarization of residence location patterns, where low skilled individuals tend to live......In this paper we estimate the degree, composition and development of geographical income polarization based on data at the individual and municipal level in Denmark from 1984 to 2002. Rising income polarization is reconfirmed when applying new polarization measures, the driving force being greater...

  3. Deep inelastic reactions and isomers in neutron-rich nuclei across the perimeter of the A = 180 - 190 deformed region

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Lane, G.J.; Byrne, A.P.; Watanabe, H.; Hughes, R.O.; Kondev, F.G.; Carpenter, M.P.; Janssens, R.V.F.; Lauritsen, T.; Lister, C.J.; Seweryniak, D.; Zhu, S.; Chowdhury, P.; Shi, Y.; Xu, F.R.

    2014-01-01

    Recent results on high-spin isomers populated in deep-inelastic reactions in the transitional tungsten-osmium region are outlined with a focus on 190 Os, 192 Os and 194 Os. As well as the characterization of several two-quasineutron isomers, the 12 + and 20 + isomers in 192 Os are interpreted as manifestations of maximal rotation alignment within the neutron i(13/2) and possibly proton h(11/2) shells at oblate deformation. (authors)

  4. Permeation of hair dye ingredients, p-phenylenediamine and aminophenol isomers, through protective gloves.

    Science.gov (United States)

    Lee, Hsiao-Shu; Lin, Yu-Wen

    2009-04-01

    Skin irritation and contact allergies are skin disorders common to hairdressers. The predominant oxidative hair dye components, such as p-phenylenediamine (PPD) and aminophenol isomers, can cause contact dermatitis. Use of protective gloves can prevent dermal contact with skin irritants. This study investigates the permeation behaviors of p-aminophenol (PAP), m-aminophenol (MAP), o-aminophenol (OAP) and PPD in single and mixed challenge solutions with disposable natural rubber latex (NRL) gloves, disposable polyvinylchloride (PVC) gloves and neoprene (NP) gloves. The challenge solutions were 4% PPD (w/v), 3% OAP (w/v), 2% PAP (w/v) and 2% MAP (w/v) in ethanol or 12% hydrogen peroxide solutions. The cocktail solutions of the four chemicals were also tested. An American Society for Testing and Materials type permeation cell, ethanol liquid collection and gas chromatography-flame ionization detection of samples taken from the collection medium every 10 min facilitated determination of breakthrough times (BTs), cumulative permeated masses and steady-state permeation rates (SSPRs). Experiments were 4 h long for the NRL and PVC gloves and 8 h for NP gloves. No chemicals tested broke through the NP gloves when exposed for 8 h. In the ethanol solution, PPD and OAP started breaking through the PVC gloves at 40 min. The SSPRs of PVC gloves were higher than those for NRL gloves in all challenge conditions for both single chemicals and mixtures. No tested chemicals in hydrogen peroxide solutions permeated the gloves during the 4-h tests. The chemical composition of the challenge solution was a main effecter of BTs and SSPRs for the NRL glove. For disposable PVC gloves, the main factors of BTs were molecular size [molar volume (MV)] and polarity (logK(ow)), and the primary factors of SSPRs were concentration, MV and logK(ow). In conclusion, disposable NRL gloves and disposable PVC gloves should not be used repeatedly for handling the hair dye products. Hydrogen peroxide did not

  5. Thermodynamics and Kinetics of Guest-Induced Switching between “Basket Handle” Porphyrin Isomers

    Directory of Open Access Journals (Sweden)

    Alexander B. C. Deutman

    2014-04-01

    Full Text Available The synthesis and switching properties of two “basket handle” porphyrin isomers is described. The cis-oriented meso-phenyl groups of these porphyrins are linked at their ortho-positons via benzocrown-ether-based spacers, which as a result of slow atropisomerization are located either on the same side of the porphyrin plane (cis, or on opposite sides (trans. In solution, the cis-linked isomer slowly isomerizes in the direction of the thermodynamically more stable trans-isomer. In the presence of viologen (N,N'-dialkyl-4,4'-bipyridinium derivatives, which have different affinities for the two isomers, the isomerization equilibrium could be significantly influenced. In addition, the presence of these guests was found to enhance the rate of the switching process, which was suggested to be caused by favorable interactions between the positively charged guest and the crown ethers of the receptor, stabilizing the transition state energies of the isomerization reaction between the two isomers.

  6. Natural and bioremediated selective degradation of polycyclic aromatic alkyl isomers in oil-contaminated soils

    International Nuclear Information System (INIS)

    Sauer, T.C.; McCarthy, K.; Uhler, A.; Porta, A.

    1995-01-01

    In studies where 2- to 6-ring polycyclic aromatic hydrocarbons (PAHs) are determined as part of characterizing released oil constituents in environmental samples, the changes in composition of PAHs from weathering (e.g., evaporation, dissolution) and biodegradation are most often represented by PAH alkyl homologue distributions. Concentrations of PAH alkyl groups are the sum of individual PAH isomers of similar carbon number; such as for C2-naphthalenes, the C2 alkyl group consists of dimethyl and ethyl substitutions on the parent naphthalene. In weathering and degradation studies, the changes in relative concentration of the individual isomers within an alkyl group are rarely reported. In a field study of oiled soils, the authors looked at the selective losses, for a period of a year, of individual PAH alkyl isomers that occur both naturally by weathering processes and through the use of bioremediation technology. Results showed that decreases in alkyl group concentrations were not always represented by similar losses of each isomer in the alkyl group, but were often due to the preferential or selective loss of certain isomers in the group

  7. Polarized Light Corridor Demonstrations.

    Science.gov (United States)

    Davies, G. R.

    1990-01-01

    Eleven demonstrations of light polarization are presented. Each includes a brief description of the apparatus and the effect demonstrated. Illustrated are strain patterns, reflection, scattering, the Faraday Effect, interference, double refraction, the polarizing microscope, and optical activity. (CW)

  8. Three-quasiparticle isomer in 173Ta and the excitation energy dependence of K -forbidden transition rates

    OpenAIRE

    Wood, RT; Walker, PM; Lane, G J; Carroll, R. J.; Cullen, David; Dracoulis, G D; Hota, S. S.; Kibédi, T.; Palalani, N; Podolyak, Zs.; Reed, MW; Schiffl, K; Wright, A.M

    2017-01-01

    Using the 168Er(10B,5n) reaction at a beam energy of 68 MeV, new data have been obtained for the population and decay of a T1/2=148ns, Kπ=21/2− three-quasiparticle isomer at 1717 keV in 173Ta. Revised decay energies and intensities have been determined, together with newly observed members of a rotational band associated with the isomer. By comparison with other isomers in the A≈180 deformed region, the 173Ta isomer properties help to specify the key degrees of freedom that determine K-forbid...

  9. Statistical model calculation of fission isomer excitation functions in (n,n') and (n,γ) reactions

    International Nuclear Information System (INIS)

    Chatterjee, A.; Athougies, A.L.; Mehta, M.K.

    1977-01-01

    A statistical model developed by Britt and others (1971, 1973) to analyze isomer excitation functions in spallation type reactions like (α,2n) has been adopted in fission isomer calculations for (n,n') and (n,γ) reactions. Calculations done for 235 U(n,n')sup(238m)U and 235 U(n,γ)sup(236m)U reactions have been compared with experimental measurements. A listing of the computer program ISOMER using FORTRAN IV to calculate the isomer to prompt ratios is given. (M.G.B.)

  10. Polarized Moessbauer transitions

    International Nuclear Information System (INIS)

    Barb, D.

    1975-01-01

    Theoretical aspects of the emission, absorption and scattering of polarized gamma rays are reviewed for a general case of combined magnetic and electric hyperfine interactions; various possibilities of obtaining polarized gamma sources are described and examples are given of the applications of Moessbauer spectroscopy with polarized gamma rays in solving problems of solid state physics. (A.K.)

  11. Effects of weaning and finishing feeding treatment on fatty acids, especially cis and trans C18:1 isomers, in the Longissimus thoracis muscle of Galician Blond calves.

    Science.gov (United States)

    Bispo, E; Moreno, T; Thomas, A; Durand, D; Monserrat, L; Gonzalez, L; Bauchart, D

    2011-04-01

    Seven- to 10-month-old calves are the typical production of Galician Blond (GB), the most important bovine local beef breed in Spain. As meat lipid repercussions on human health depend on their fatty acid (FA) profile, this study aimed at analysing the individual FA at weaning and at the end of the feeding finishing period, especially trans and cis 18:1 isomers in total lipids of the Longissimus thoracis muscle in GB male calves. Distribution of main FA in veal lipids was characterized by gas-liquid chromatography (GLC) analysis on a high polar glass capillary column. Total trans and cis 18:1 isomers were purified, from total FA (TFA) methyl esters, by preparative reversed-phase high-performance liquid chromatography, to allow subsequent specific analysis of their different isomers by GLC. Calves stayed with their mothers at pasture for 2 or 5 months in intensive or semi-extensive systems, followed by an indoor feeding period. The weaned (W) group was finished on concentrate and hay, whereas the non-weaned (NW) group was finished on concentrate and hay and it continued suckling until slaughter. The studied effects did not present interactions. The duration of the indoor finishing period hardly had a significant influence on the parameters analysed. Compared to W calves, NW calves had higher proportions (% TFA) of 18:3n-3 (+38%, P < 0.0001), 20:5n-3 (+22%, P = 0.005), 22:5n-3 (+13%, P = 0.042), cis monounsaturated FA (MUFA; +8%, P = 0.032), total MUFA (+8%, P = 0.013), n-3 polyunsaturated FA (PUFA; +25%, P = 0.0001) and conjugated linoleic acid (CLA; +48%, P < 0.0001) to the detriment of 18:0 (-10%, P = 0.002), 18:2n-6 (-25%, P = 0.004) and n-6 PUFA (-20%, P = 0.011). With regard to cis and trans 18:1 isomers, NW calves had higher proportions (% total cis or trans 18:1) of Δ11trans and Δ16trans (+25% and +22%, respectively, P < 0.01) and Δ13 + 14trans (+13%, P < 0.05) and lower proportions of Δ6 to 8 and Δ10trans (-28% and 58%, respectively, P < 0.001). NW

  12. Uterotropic activity of cis and trans isomers of zearalenone and zearalenol.

    Science.gov (United States)

    Mirocha, C J; Pathre, S V; Behrens, J; Schauerhamer, B

    1978-01-01

    The cis and trans isomers of zearalenone [2,4-dihyroxy-6-(10-hydroxy-6-oxo-1-undecenyl)-benzoic acid mu-lactone] and zearalenol [2,4-dihydroxy-6-(6,10-dihydroxy-1-undecenyl)-benzoic acid mu-lactone] were tested for uterotropic activity in the white rat. The metabolites were administered through the oral route (per os) and by topical application to the freshly shaven skin on the back. cis-Zearalenone was significantly more active than trans when fed orally to the rats in the diet or when applied topically by skin application. However, the cis isomer of zearalenol was not significantly different than its trans isomer. trans-Zearalenone was less active than trans-zearalenol. PMID:655715

  13. High-spin isomers in 212Rn in the region of triple neutron core-excitations

    Science.gov (United States)

    Dracoulis, G. D.; Lane, G. J.; Byrne, A. P.; Davidson, P. M.; Kibédi, T.; Nieminen, P.; Watanabe, H.; Wilson, A. N.

    2008-04-01

    The level scheme of 212Rn has been extended to spins of ∼ 38 ℏ and excitation energies of about 13 MeV using the 204Hg(13C, 5n)212Rn reaction and γ-ray spectroscopy. Time correlated techniques have been used to obtain sensitivity to weak transitions and channel selectivity. The excitation energy of the 22+ core-excited isomer has been established at 6174 keV. Two isomers with τ = 25 (2) ns and τ = 12 (2) ns are identified at 12211 and 12548 keV, respectively. These are the highest-spin nuclear isomers now known, and are attributed to configurations involving triple neutron core-excitations coupled to the aligned valence protons. Semi-empirical shell-model calculations can account for most states observed, but with significant energy discrepancies for some configurations.

  14. High-spin isomers in 212Rn in the region of triple neutron core-excitations

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Lane, G.J.; Byrne, A.P.; Davidson, P.M.; Kibedi, T.; Nieminen, P.; Watanabe, H.; Wilson, A.N.

    2008-01-01

    The level scheme of 212 Rn has been extended to spins of ∼38h and excitation energies of about 13 MeV using the 204 Hg( 13 C, 5n) 212 Rn reaction and γ-ray spectroscopy. Time correlated techniques have been used to obtain sensitivity to weak transitions and channel selectivity. The excitation energy of the 22 + core-excited isomer has been established at 6174 keV. Two isomers with τ=25(2) ns and τ=12(2) ns are identified at 12211 and 12548 keV, respectively. These are the highest-spin nuclear isomers now known, and are attributed to configurations involving triple neutron core-excitations coupled to the aligned valence protons. Semi-empirical shell-model calculations can account for most states observed, but with significant energy discrepancies for some configurations

  15. Activation of Reactive MALDI Adduct Ions Enables Differentiation of Dihydroxylated Vitamin D Isomers

    Science.gov (United States)

    Qi, Yulin; Müller, Miriam J.; Volmer, Dietrich A.

    2017-12-01

    Vitamin D compounds are secosteroids, which are best known for their role in bone health. More recent studies have shown that vitamin D metabolites and catabolites such as dihydroxylated species (e.g., 1,25- and 24,25-dihydroxyvitamin D3) play key roles in the pathologies of various diseases. Identification of these isomers by mass spectrometry is challenging and currently relies on liquid chromatography, as the isomers exhibit virtually identical product ion spectra under collision induced dissociation conditions. Here, we developed a simple MALDI-CID method that utilizes ion activation of reactive analyte/matrix adducts to distinguish isomeric dihydroxyvitamin D3 species, without the need for chromatography separation or chemical derivatization techniques. Specifically, reactive 1,5-diaminonaphthalene adducts of dihydroxyvitamin D3 compounds formed during MADI were activated and specific cleavages in the secosteroid's backbone structure were achieved that produced isomer-diagnostic fragment ions. [Figure not available: see fulltext.

  16. Decomposition Patterns of Three C20 Isomer Clusters: Tight-binding Molecular Dynamics Simulation

    International Nuclear Information System (INIS)

    Lee, Changhoon; Lee, Kee Hag

    2016-01-01

    We investigated the decomposition pattern of three C 20 carbon isomer clusters using molecular dynamics simulations combined with the empirical tight-binding total energy calculation method. Here, the thermodynamic behaviors show up for 2 ps. Dynamic behavior is researched by considering the change in assembly energy, bond distance distribution, total energy, and potential energy as a function of temperature. The bonds start breaking around 3300, 4500, and 5100 K for cage, bowl, and ring isomers, respectively. Once a bond is broken, strain accumulates on the neighbors of that atom, and bond cleavage is further accelerated at the neighboring atoms. Based on the snapshots of decomposition, we suggest a C 20 formation scenario from linear carbon clusters to ring, bowl, or cage isomers.

  17. Effect of isomers of hydroxybenzoic acid on the growth and metabolism of Chlorella vulgaris Beijerinck (Chlorophyceae

    Directory of Open Access Journals (Sweden)

    Andrzej Bajguz

    2014-01-01

    Full Text Available The isomers o-, m-, and p- of hydroxybenzoic acid (HBA in the concentration range 10-1-10-4 M in the unicellular green alga Chlorella vulgaris (Chlorophyceae display marked biological activity. The o-HBA isomer, commonly known as salicylic acid, in a concentration of 10-4 M exerted the most stimulating effect on the parameters analysed (the number of cells, dry mass, the content of chlorophylls a and h, carotenoids, soluble proteins and their secretion, monosaccharides, DNA and RNA whereas p-HBA had weak stimulating properties. On the other hand, m-HBA had a weak inhibitory effect on the growth of C. vulgaris and all the biochemical parameters analysed in comparison with the control culture of algae devoid of HBA isomers.

  18. Geometrical E/Z isomers of (6R)- and (6S)-neoxanthin and biological implications.

    Science.gov (United States)

    Strand; Kvernberg; M Karlsen A; Liaaen-Jensen

    2000-06-01

    9'Z-(3S,5R,6R,3'S,5'R,6'S)-Neoxanthin reisolated from spinach (Spinacea oleracea) and characterized by HPLC, VIS, MS, and 2D (1)H NMR, has been submitted to photoinduced stereomutation in the presence of iodine or diphenyl diselenide at conditions not involving isomerization of the allenic bond. The six individual geometrical isomers, all-E,9Z,9'Z,13Z,13'Z,15Z and three minor di-Z-isomers, presumably 9,9'-di-Z,9',13-di-Z and 9',13'-di-Z, present in the equilibrium mixture have been characterized by HPLC, VIS data, 1H NMR and reversibility tests. Judged by the quantitative composition of the equilibrium mixture the naturally occurring 9'Z-isomer is thermodynamically less stable than the all-E-isomer. The availability of these isomers facilitates future search in natural sources. 9'Z-(6R90% of total neoxanthin in spinach and broccoli (Brassica oleracea var. italica), consistent with previous findings of its abundance in chloroplasts. all-E90% of total violaxanthin in the same sources. It is postulated that a neoxanthin Delta9'-isomerase is present and involved in the biosynthesis of abscisic acid in higher plants. Allenic S-isomers are of interest as postulated biosynthetic precursors of R-allenes. All-E-(6S)- and 9'Z-(6S)-neoxanthin were available as semi-synthetic model compounds. The allenic (6S)-diastereomers could not be detected in spinach or broccoli.

  19. New isomers and medium-spin structure of the 95Y nucleus

    International Nuclear Information System (INIS)

    Urban, W.; Sieja, K.; Simpson, G. S.; Faust, H.; Rzaca-Urban, T.; Zlomaniec, A.; Lukasiewicz, M.; Smith, A. G.; Durell, J. L.; Smith, J. F.; Varley, B. J.; Nowacki, F.; Ahmad, I.

    2009-01-01

    Excited states in 95 Y, populated following the spontaneous fission of 248 Cm and 252 Cf and following fission of 235 U induced by thermal neutrons, were studied by means of γ spectroscopy using the EUROGAM2 and GAMMASPHERE multidetector Ge arrays and the LOHENGRIN fission-fragment separator, respectively. We have found a new (17/2 - ) isomer in 95 Y at 3142.2 keV with a half-life of T 1/2 =14.9(5) ns. Another isomer was identified in 95 Y at 5022.1 keV and it was assigned a spin-parity (27/2 - ). For this isomer a half-life of T 1/2 =65(4) ns was determined and four decay branches were found, including an E3 decay. A new E3 decay branch was also found for the known, 1087.5-keV isomer in 95 Y, for which we measured a half-life of 51.2(9) μs. The B(E3) and B(E1) transition rates, of 2.0 and 3.8x10 -7 W.u., respectively, observed in 95 Y are significantly lower than in the neighboring 96 Zr core, suggesting that octupole correlations in this region are mainly due to the coupling of proton Δj=3 orbitals. Shell-model calculations indicate that the (27/2 - ) isomer in 95 Y corresponds to the πg 9/2 ν(g 7/2 h 11/2 ) maximally aligned configuration and that all three isomers in 95 Y decay, primarily, by M2 transitions between proton g 9/2 and f 5/2 orbitals.

  20. Resolution and Assignment of Differential Ion Mobility Spectra of Sarcosine and Isomers

    Science.gov (United States)

    Berthias, Francis; Maatoug, Belkis; Glish, Gary L.; Moussa, Fathi; Maitre, Philippe

    2018-02-01

    Due to their central role in biochemical processes, fast separation and identification of amino acids (AA) is of importance in many areas of the biomedical field including the diagnosis and monitoring of inborn errors of metabolism and biomarker discovery. Due to the large number of AA together with their isomers and isobars, common methods of AA analysis are tedious and time-consuming because they include a chromatographic separation step requiring pre- or post-column derivatization. Here, we propose a rapid method of separation and identification of sarcosine, a biomarker candidate of prostate cancer, from isomers using differential ion mobility spectrometry (DIMS) interfaced with a tandem mass spectrometer (MS/MS) instrument. Baseline separation of protonated sarcosine from α- and β-alanine isomers can be easily achieved. Identification of DIMS peak is performed using an isomer-specific activation mode where DIMS- and mass-selected ions are irradiated at selected wavenumbers allowing for the specific fragmentation via an infrared multiple photon dissociation (IRMPD) process. Two orthogonal methods to MS/MS are thus added, where the MS/MS(IRMPD) is nothing but an isomer-specific multiple reaction monitoring (MRM) method. The identification relies on the comparison of DIMS-MS/MS(IRMPD) chromatograms recorded at different wavenumbers. Based on the comparison of IR spectra of the three isomers, it is shown that specific depletion of the two protonated α- and β-alanine can be achieved, thus allowing for clear identification of the sarcosine peak. It is also demonstrated that DIMS-MS/MS(IRMPD) spectra in the carboxylic C=O stretching region allow for the resolution of overlapping DIMS peaks. [Figure not available: see fulltext.

  1. Accumulation of D- vs. L-isomers of alanine and leucine in rat prostatic adenocarcinoma

    International Nuclear Information System (INIS)

    Conti, P.S.; Schmall, B.; Bigler, R.E.; Zanzonico, P.B.; Kleinert, E.; Whitmore, W.F. Jr.

    1985-01-01

    It has been reported that tumor tissue may accumulate some D-amino acids preferentially over the L-isomers. In order to investigate the potential use of carbon-11 labeled amino acid isomers for in vivo tumor studies with positron emission tomography in patients, the tissue distributions of alanine and leucine, substrates for the A-type and L-type amino acid transport systems, respectively, were studied in Copenhagen rates bearing the Dunning R3327G prostatic adenocarcinoma. The authors have previously reported differences in the accumulation of A-type vs. L-type amino acids in rat prostatic adenocarcinoma and normal tissues. All compounds were labeled with C-14 in the carboxyl position with specific activities of 30.0-56.6 mCi/mmol. Higher levels of C-14 activity (Relative Concentration (RC)=dpm found per gm tissue + dpm inject per gm animal mass) were observed in tumor tissue using D-alanine (0.71) compared to L- (0.21) or DL-alanine (0.27) at 45 min post-injection. While tumor/prostate and tumor/liver ratios were above 2 for all three substrates, tumor/blood and tumor/muscle were above one for only the D-isomer. Comparisons made with D-, L-, and DL-leucine also demonstrated a higher level of RC in tumor tissue with the D-isomer (0.84) vs. the L-(0.66) and DL-leucine (0.63). In this case, however, tumor/blood, tumor/prostate, and tumor/muscle ratios were above one for all three substrates, while tumor/liver ratios were below one. These results support the observation of a preferential accumulation of D-amino acids in tumor tissue over the natural L-isomers. Observed differences in the accumulation of the isomers in normal tissues are discussed

  2. Conversion-electron experiment to characterize the decay of the 237Np shape isomer

    International Nuclear Information System (INIS)

    Henry, E.A.; Becker, J.A.; Bauer, R.W.; Gardner, D.G.; Decman, D.J.; Meyer, R.A.; Roy, N.; Sale, K.E.

    1987-01-01

    Conversion electrons from the decay of low-lying levels of 237 Np have been measured to detect the population of these levels by gamma-ray decay of the 237 Np shape isomer. Analysis of the 208-keV transition L conversion-electron peak gives an upper limit of about 17 μb for the population of the 3/2 - 267-keV level in 237 Np from the shape isomer decay. Model calculations are compared with the measured limit. Improvements are suggested for this experiment. 9 refs., 4 figs

  3. The Physics of Polarization

    Science.gov (United States)

    Landi Degl'Innocenti, Egidio

    2015-10-01

    The introductory lecture that has been delivered at this Symposium is a condensed version of an extended course held by the author at the XII Canary Island Winter School from November 13 to November 21, 2000. The full series of lectures can be found in Landi Degl'Innocenti (2002). The original reference is organized in 20 Sections that are here itemized: 1. Introduction, 2. Description of polarized radiation, 3. Polarization and optical devices: Jones calculus and Muller matrices, 4. The Fresnel equations, 5. Dichroism and anomalous dispersion, 6. Polarization in everyday life, 7. Polarization due to radiating charges, 8. The linear antenna, 9. Thomson scattering, 10. Rayleigh scattering, 11. A digression on Mie scattering, 12. Bremsstrahlung radiation, 13. Cyclotron radiation, 14. Synchrotron radiation, 15. Polarization in spectral lines, 16. Density matrix and atomic polarization, 17. Radiative transfer and statistical equilibrium equations, 18. The amplification condition in polarized radiative transfer, and 19. Coupling radiative transfer and statistical equilibrium equations.

  4. Isomerization and fluorescence depolarization of merocyanine 540 ...

    Indian Academy of Sciences (India)

    MC540) in an aqueous solution of polyacrylic acid (PAA) have been studied using picosecond time resolved fluorescence spectroscopy. It is observed that the dynamics of isomerization and depolarization are sensitive enough to monitor the ...

  5. Isomerization and fluorescence depolarization of merocyanine 540 ...

    Indian Academy of Sciences (India)

    isomerization i.e. cis–trans isomerization in excited electronic state, has been studied in a cyclodextrin cavity2, at the water surface 3,4, in the water pool of microemulsion 5, at micellar interface 6, lipids 7, sol–gel glass8 and polymer environments 9. Reorientational dynamics has been studied using fluorescence anisotropy ...

  6. Isomeric and high-spin states of 94Tc and the search for yrast isomers near Napprox.50

    International Nuclear Information System (INIS)

    Lee, I.Y.; Johnson, N.R.; McGowan, F.K.; Young, G.R.; Guidry, M.W.; Yates, S.W.

    1981-01-01

    A search for isomers in the Napprox.50 region has produced no evidence of high-spin yrast isomerism. A new 4.5-ns low-multiplicity isomer has been identified and assigned to 94 Tc, while the yrast sequence of 94 Tc has been established to more than 5 MeV in excitation energy

  7. Determination of activation level energy of nuclear isomers by calibration of microspectra of radioactive sources

    International Nuclear Information System (INIS)

    Veres, A.; Pavlicsek, I.

    1980-01-01

    Nuclear isomers with unknown activation level were irradiated by calibrated radioactive sources. The integral cross sections were calculated for different energies of the sources. The activation energy was given by values coinciding with each other within the limits of error. The method made the determination of the unknown level of 1180+-10 keV of 195 Pt nucleus possible. (author)

  8. Response of Dendroctonus mexicanus (Hopkins) to two optical isomers of verbenone

    Science.gov (United States)

    Vicente Diaz-Nunez; Guillermo Sanchez-Martinez; Nancy E. Gillette

    2006-01-01

    Given the need for diminishing the use of pesticides in natural environments, in this research we investigated the efficacy of two optical isomers of verbenone (4, 6, 6-trimethylbicyclo[3.1.1] hepto-3-en-e-1) as controls of the attack of Dendroctonus mexicanus (Hopkins) (Coleoptera: Curculionidae: Scolytinae).Two experiments were established in the...

  9. Differentiation of 2- and 6-isomers of (2-dimethylaminopropylbenzofuran by tandem mass spectrometry

    Directory of Open Access Journals (Sweden)

    V. A. Shevyrin

    2016-07-01

    Full Text Available Reliable identification of new psychoactive substances of 2-(2-methylaminopropylbenzofuran and 6-(2-methylaminopropylbenzofuran is problematic when analyzing by gas chromatography–mass spectrometry method. It found that these two isomers can be reliably differentiated by MS/MS spectra obtained by collision-induced dissociation of their protonated molecules.

  10. Calibration of the isomer shift for iodine resonant transition by ab initio calculations

    Czech Academy of Sciences Publication Activity Database

    Wdowik, U. D.; Legut, Dominik; Ruebenbauer, K.

    2010-01-01

    Roč. 114, č. 26 (2010), s. 7146-7152 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z20410507 Keywords : ab initio * isomer shift of iodine * calibration * I127 * I129 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.732, year: 2010

  11. High-spin isomer in 211Rn, and the shape of the yrast line

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Fahlander, C.; Poletti, A.R.

    1981-08-01

    High spin yrast states in 211 Rn have been identified. A 61/2 - , 380 ns isomer found at 8856 keV is characterised as a core-excited configuration. The average shape of the yrast line shows a smooth behaviour with spin, in contrast to its neighbour 212 Rn. This difference is attributed to the presence of the neutron hole

  12. Observation of a new high-spin isomer in 94Pd

    International Nuclear Information System (INIS)

    Brock, T. S.; Nara Singh, B. S.; Wadsworth, R.; Boutachkov, P.; Gorska, M.; Grawe, H.; Pietri, S.; Domingo-Pardo, C.; Caceres, L.; Engert, T.; Farinon, F.; Gerl, J.; Goel, N.; Kojuharov, I.; Kurz, N.; Nociforo, C.; Prochazka, A.; Schaffner, H.; Weick, H.; Braun, N.

    2010-01-01

    A second γ-decaying high-spin isomeric state, with a half-life of 197(22)ns, has been identified in the N=Z+2 nuclide 94 Pd as part of a stopped-beam Rare Isotope Spectroscopic INvestigation at GSI (RISING) experiment. Weisskopf estimates were used to establish a tentative spin/parity of 19 - , corresponding to the maximum possible spin of a negative parity state in the restricted (p 1/2 , g 9/2 ) model space of empirical shell model calculations. The reproduction of the E3 decay properties of the isomer required an extension of the model space to include the f 5/2 and p 3/2 orbitals using the CD-Bonn potential. This is the first time that such an extension has been required for a high-spin isomer in the vicinity of 100 Sn and reveals the importance of such orbits for understanding the decay properties of high-spin isomers in this region. However, despite the need for the extended model space for the E3 decay, the dominant configuration for the 19 - state remains (πp 1/2 -1 g 9/2 -3 ) 11 x (νg 9/2 -2 ) 8 . The half-life of the known, 14 + , isomer was remeasured and yielded a value of 499(13) ns.

  13. Mixed diphosphine/diamine ruthenium (II) isomers: Synthesis, structural characterization and catalytic hydrogenation of ketones

    Science.gov (United States)

    Nascimento, Rebecca D.; Silva, Andressa K.; Lião, Luciano M.; Deflon, Victor M.; Ueno, Leonardo T.; Dinelli, Luis R.; Bogado, André L.

    2018-01-01

    The complexes trans-[RuCl2(dppb)(cydn)] (1), trans-[RuCl2(dppb)(opda)] (2) and cis-[RuCl2(dppb)(cydn)] (3) were synthesized from [{RuCl2(dppb)}2-μ-(dppb)] {where: dppb = 1,4-bis(diphenylphosphino)butane; cydn = cis and trans (±) 1,2-diaminocyclohexane, and opda = o-phenylenediamine}. The complexes were characterized by nuclear magnetic resonance of phosphorus (31P{1H} NMR), cyclic voltammetry (CV), infrared and ultraviolet/visible spectra (IR and UV/vis) as well as elemental analyses (CHN). The X-ray structures of (1) and (3) were determined and they are presented here. DFT calculations and experimental data showed that the trans isomers are obtained as thermodynamic products while the cis isomers are kinetic products. This behavior is different than described in the literature for similar complexes, where the cis isomer is obtained from the trans isomer. Additionally, the catalytic activity of the complexes (1), (2) and (3) was investigated, as pre-catalysts, in the reduction of the acetophenone and 4-methylacetophenone by transfer-hydrogenation.

  14. {sup 57}Fe quadrupole splitting and isomer shift in various oxyhemoglobins: study using Moessbauer spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Oshtrakh, M. I., E-mail: oshtrakh@mail.utnet.ru [Ural Federal University (The former Ural State Technical University-UPI), Faculty of Physical Techniques and Devices for Quality Control (Russian Federation); Berkovsky, A. L. [Hematological Scientific Center of the Russian Academy of Sciences (Russian Federation); Kumar, A.; Kundu, S., E-mail: sumankundu@south.du.ac.in [University of Delhi South Campus, Department of Biochemistry (India); Vinogradov, A. V.; Konstantinova, T. S. [Ural State Medical Academy, Faculty of Internal Diseases Propedeutics (Russian Federation); Semionkin, V. A. [Ural Federal University (The former Ural State Technical University-UPI), Faculty of Physical Techniques and Devices for Quality Control (Russian Federation)

    2010-04-15

    A comparative study of normal human, rabbit and pig oxyhemoglobins and oxyhemoglobin from patients with chronic myeloleukemia and multiple myeloma using Moessbauer spectroscopy with a high velocity resolution demonstrated small variations of the {sup 57}Fe quadrupole splitting and isomer shift. These variations may be a result of small structural differences in the heme iron stereochemistry of various hemoglobins.

  15. Effects of retinoic acid isomers on proteomic pattern in human breast cancer MCF-7 cell line

    Czech Academy of Sciences Publication Activity Database

    Flodrová, Dana; Benkovská, Dagmar; Macejová, D.; Bialešová, L.; Bobálová, Janette; Brtko, J.

    2013-01-01

    Roč. 47, č. 4 (2013), s. 205-209 ISSN 1210-0668 R&D Projects: GA MŠk(CZ) 7AMB12SK151 Institutional support: RVO:68081715 Keywords : retinoic acid isomers * retinoid * breast cancer * malignant cells * proteomic analysis Subject RIV: CB - Analytical Chemistry, Separation

  16. Serum profiles of free and conjugated neuroactive pregnanolone isomers in nonpregnant women of fertile age

    Czech Academy of Sciences Publication Activity Database

    Havlíková, H.; Hill, M.; Kancheva, L.; Vrbíková, J.; Pouzar, Vladimír; Černý, Ivan; Kancheva, R.; Stárka, L.

    2006-01-01

    Roč. 91, č. 8 (2006), s. 3092-3099 ISSN 0021-972X R&D Projects: GA MZd(CZ) NR7768 Institutional research plan: CEZ:AV0Z40550506 Keywords : pregnanolone isomers * GABAA * steroids Subject RIV: CC - Organic Chemistry Impact factor: 5.799, year: 2006

  17. The Influence of Water on Butanol Isomers Pervaporation Transport through Polyethylene Membrane..

    Czech Academy of Sciences Publication Activity Database

    Petričkovič, Roman; Setničková, Kateřina; Uchytil, Petr

    2013-01-01

    Roč. 107, APR 2 (2013), s. 85-90 ISSN 1383-5866 R&D Projects: GA ČR GA104/09/1165 Institutional support: RVO:67985858 Keywords : pervaporation * binary mixtures butanol isomers-water * polyethylene membranes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.065, year: 2013

  18. Analysis of shape isomer yields of Pu in the framework of dynamical ...

    Indian Academy of Sciences (India)

    February 2012 physics pp. 231–236. Analysis of shape isomer yields of ... the depth of the second potential well should be less than the results of statistical model calculations. Keywords. Fission; fission barrier ... (2) population of the second potential well and cooling via particle or γ emission (this event is interpreted as the ...

  19. Isomers in neutron-rich A ∼ 190 nuclides from 208Pb fragmentation

    International Nuclear Information System (INIS)

    Rykaczewski, Krzysztof Piotr; Caamano, M.; Banu, A.; Walker, P.M.; Morton, N.H.; Regan, P. H.; Regan, Patrick H; Pfutzner, M.; Podolyak, Zs.; Gerl, J.; Hellstrom, M.; Mayet, P.; Miernik, K.; Mineva, M.N.; Aprahamian, A.; Benlliure, J.; Bruce, A.M.; Butler, P.A.; Cortina Gil, D.; Cullen, D.M.; Doring, J.; Enqvist, T.; Fox, C.; Garces Narro, J.; Geissel, H.; Gelletly, W.; Giovinazzo, J.; Gorska, M.; Grawe, H.; Grzywacz, R.; Kleinbohl, A.; Korten, W.; Lewitowicz, M.; Lucas, R.; Mach, H.; O'Leary, C.D.; De Oliveira, F.; Pearson, C.J.; Rejmund, F.

    2004-01-01

    Relativistic projectile fragmentation of 208 Pb has been used to produce isomers in neutron-rich, A ∼ 190 nuclides. A forward-focusing spectrometer provided ion-by-ion mass and charge identification. The detection of gamma-rays emitted by stopped ions has led to the assignment of isomers in 188 Ta, 190 W, 192 Re, 193 Re, 195 Os, 197 Ir, 198 Ir, 200 Pt, 201 Pt, 202 Pt and 203 Au, with half-lives ranging from approximately 10 ns to 1 ms. Tentative isomer information has been found also for 174 Er, 175 Er, 185 Hf, 191 Re, 194 Re and 199 Ir. In most cases, time-correlated, singles gamma-ray events provided the first spectroscopic data on excited states for each nuclide. In 200 Pt and 201 Pt, the assignments are supported by gamma-gamma coincidences. Isomeric ratios provide additional information, such as half-life and transition energy constraints in particular cases. The level structures of the platinum isotopes are discussed, and comparisons are made with isomer systematics

  20. Proline isomer-specific antibodies reveal the early pathogenic tau conformation in Alzheimer's disease.

    Science.gov (United States)

    Nakamura, Kazuhiro; Greenwood, Alex; Binder, Lester; Bigio, Eileen H; Denial, Sarah; Nicholson, Linda; Zhou, Xiao Zhen; Lu, Kun Ping

    2012-03-30

    cis-trans isomerization of proteins phosphorylated by proline-directed kinases is proposed to control numerous signaling molecules and is implicated in the pathogenesis of Alzheimer's and other diseases. However, there is no direct evidence for the existence of cis-trans protein isomers in vivo or for their conformation-specific function or regulation. Here we develop peptide chemistries that allow the generation of cis- and trans-specific antibodies and use them to raise antibodies specific for isomers of phosphorylated tau. cis, but not trans, p-tau appears early in the brains of humans with mild cognitive impairment, accumulates exclusively in degenerated neurons, and localizes to dystrophic neurites during Alzheimer's progression. Unlike trans p-tau, the cis isomer cannot promote microtubule assembly, is more resistant to dephosphorylation and degradation, and is more prone to aggregation. Pin1 converts cis to trans p-tau to prevent Alzheimer's tau pathology. Isomer-specific antibodies and vaccines may therefore have value for the early diagnosis and treatment of Alzheimer's disease. Copyright © 2012 Elsevier Inc. All rights reserved.

  1. New Isomers in the Neutron-Rich Region Beyond 208Pb

    Directory of Open Access Journals (Sweden)

    Gottardo A.

    2014-03-01

    Full Text Available The region of neutron-rich nuclei beyond 208Pb has been very difficult to explore due to its high mass and exoticity. However, recent experimental improvements allowed one to perform a quite extended isomer decay spectroscopy of these nuclei.

  2. Analysis of shape isomer yields of 237 Pu in the framework of ...

    Indian Academy of Sciences (India)

    Data on shape isomer yield for + 235U reaction at E lab = 20–29 MeV are analysed in the framework of a combined dynamical–statistical model. From this analysis, information on the double humped fission barrier parameters for some Pu isotopes has been obtained and it is shown that the depth of the second potential ...

  3. Influence of Si/Al ratio on hexane isomers adsorption equilibria

    NARCIS (Netherlands)

    Ferreira, A.F.P.; Mittelmeijer-Hazeleger, M.C.; Bliek, A.; Moulijn, J.A.

    2008-01-01

    In this work we aim to have a better knowledge of the influence of silica/alumina ratio (SAR) on the adsorption equilibrium of hexane isomers on MFI zeolites. With a manometric set-up coupled with a micro-calorimeter we did address adsorption properties and heats of adsorption of n-hexane,

  4. Adsorption of hexane isomers on MFI type zeolites at ambient temperature: Understanding the aluminium content effect

    NARCIS (Netherlands)

    Ferreira, A.F.P.; Mittelmeijer-Hazeleger, M.C.; v.d. Bergh, J.; Aguado, S.; Jansen, J.C.; Rothenberg, G.; Rodrigues, A.E.; Kapteijn, F.

    2013-01-01

    We investigate the influence of the aluminium content on the adsorption of hexane isomers at 293 K on MFI type zeolites (Si/Al ratios - SAR of 25, 100 and infinity). Adsorption isotherms were assessed with a home-made volumetric system. Temporal up-take curves were recorded using a manometric set-up

  5. Direct sampling tandem mass spectrometry (MS/MS) and multiway calibration for isomer quantitation

    NARCIS (Netherlands)

    Zampronio, Cleidiane G.; Gurden, Stephen P.; Moraes, Luis Alberto B.; Eberlin, Marcos N.; Smilde, Age K.; Poppi, Ronei J.

    2002-01-01

    Direct sampling tandem mass spectrometry (MS/MS) was used for the quantitation of mixtures of the isomers 2-, 3- and 4-ethyl pyridine. The similarity between the analytes and the second-order nature of MS/MS data require the use of multivariate calibration techniques capable of handling multiway

  6. [Review] Polarization and Polarimetry

    Science.gov (United States)

    Trippe, Sascha

    2014-02-01

    Polarization is a basic property of light and is fundamentally linked to the internal geometry of a source of radiation. Polarimetry complements photometric, spectroscopic, and imaging analyses of sources of radiation and has made possible multiple astrophysical discoveries. In this article I review (i) the physical basics of polarization: electromagnetic waves, photons, and parameterizations; (ii) astrophysical sources of polarization: scattering, synchrotron radiation, active media, and the Zeeman, Goldreich-Kylafis, and Hanle effects, as well as interactions between polarization and matter (like birefringence, Faraday rotation, or the Chandrasekhar-Fermi effect); (iii) observational methodology: on-sky geometry, influence of atmosphere and instrumental polarization, polarization statistics, and observational techniques for radio, optical, and X/γ wavelengths; and (iv) science cases for astronomical polarimetry: solar and stellar physics, planetary system bodies, interstellar matter, astrobiology, astronomical masers, pulsars, galactic magnetic fields, gamma-ray bursts, active galactic nuclei, and cosmic microwave background radiation.

  7. Polarization feedback laser stabilization

    Science.gov (United States)

    Esherick, P.; Owyoung, A.

    1987-09-28

    A system for locking two Nd:YAG laser oscillators includes an optical path for feeding the output of one laser into the other with different polarizations. Elliptical polarization is incorporated into the optical path so that the change in polarization that occurs when the frequencies coincide may be detected to provide a feedback signal to control one laser relative to the other. 4 figs.

  8. Polarization in Sagittarius A*

    OpenAIRE

    Bower, Geoffrey C.

    2000-01-01

    We summarize the current state of polarization observations of Sagittarius A*, the compact radio source and supermassive black hole candidate in the Galactic Center. These observations are providing new tools for understanding accretion disks, jets and their environments. Linear polarization observations have shown that Sgr A* is unpolarized at frequencies as high as 86 GHz. However, recent single-dish observations indicate that Sgr A* may have strong linear polarization at frequencies higher...

  9. Airborne Laser Polarization Sensor

    Science.gov (United States)

    Kalshoven, James, Jr.; Dabney, Philip

    1991-01-01

    Instrument measures polarization characteristics of Earth at three wavelengths. Airborne Laser Polarization Sensor (ALPS) measures optical polarization characteristics of land surface. Designed to be flown at altitudes of approximately 300 m to minimize any polarizing or depolarizing effects of intervening atmosphere and to look along nadir to minimize any effects depending on look angle. Data from measurements used in conjunction with data from ground surveys and aircraft-mounted video recorders to refine mathematical models used in interpretation of higher-altitude polarimetric measurements of reflected sunlight.

  10. Polarization at SLC

    International Nuclear Information System (INIS)

    Swartz, M.L.

    1988-07-01

    The SLAC Linear Collider has been designed to readily accommodate polarized electron beams. Considerable effort has been made to implement a polarized source, a spin rotation system, and a system to monitor the beam polarization. Nearly all major components have been fabricated. At the current time, several source and polarimeter components have been installed. The installation and commissioning of the entire system will take place during available machine shutdown periods as the commissioning of SLC progresses. It is expected that a beam polarization of 45% will be achieved with no loss in luminosity. 13 refs., 15 figs

  11. Probing ground and low-lying excited states for HIO{sub 2} isomers

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Gabriel L. C. de [Departamento de Química, Universidade Federal de Mato Grosso, Cuiabá, Mato Grosso 78060-900 (Brazil); Instituto de Ciências Exatas e Tecnologia, Universidade Federal do Amazonas, Itacoatiara, Amazonas 69100-000 (Brazil); Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada); Brown, Alex, E-mail: alex.brown@ualberta.ca [Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2 (Canada)

    2014-12-21

    We present a computational study on HIO{sub 2} molecules. Ground state properties such as equilibrium structures, relative energetics, vibrational frequencies, and infrared intensities were obtained for all the isomers at the coupled-cluster with single and double excitations as well as perturbative inclusion of triples (CCSD(T)) level of theory with the aug-cc-pVTZ-PP basis set and ECP-28-PP effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. The HOIO structure is confirmed as the lowest energy isomer. The relative energies are shown to be HOIO < HOOI < HI(O)O. The HO(O)I isomer is only stable at the density functional theory (DFT) level of theory. The transition states determined show interconversion of the isomers is possible. In order to facilitate future experimental identification, vibrational frequencies are also determined for all corresponding deuterated species. Vertical excitation energies for the three lowest-lying singlet and triplet excited states were determined using the configuration interaction singles, time-dependent density functional theory (TD-DFT)/B3LYP, TD-DFT/G96PW91, and equation of motion-CCSD approaches with the LANL2DZ basis set plus effective core potential for iodine and the aug-cc-pVTZ basis set for hydrogen and oxygen atoms. It is shown that HOIO and HOOI isomers have excited states accessible at solar wavelengths (<4.0 eV) but these states have very small oscillator strengths (<2 × 10{sup −3})

  12. CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Vazart, Fanny; Latouche, Camille; Skouteris, Dimitrios; Barone, Vincenzo [Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56125 Pisa (Italy); Balucani, Nadia [Dipartimento di Chimica, Biologia e Biotecnologie, Universitá degli Studi di Perugia, Via Elce di Sotto 8, I-06123 Perugia (Italy)

    2015-09-10

    New insights into the formation of interstellar cyanomethanimine, a species of great relevance in prebiotic chemistry, are provided by electronic structure and kinetic calculations for the reaction CN + CH{sub 2} = NH. This reaction is a facile formation route of Z,E-C-cyanomethanimine, even under the extreme conditions of density and temperature typical of cold interstellar clouds. E-C-cyanomethanimine has been recently identified in Sgr B2(N) in the Green Bank Telescope (GBT) PRIMOS survey by P. Zaleski et al. and no efficient formation routes have been envisaged so far. The rate coefficient expression for the reaction channel leading to the observed isomer E-C-cyanomethanimine is 3.15 × 10-10 × (T/300){sup 0.152} × e{sup (−0.0948/T)}. According to the present study, the more stable Z-C-cyanomethanimine isomer is formed with a slightly larger yield (4.59 × 10{sup −10} × (T/300){sup 0.153} × e{sup (−0.0871/T)}. As the detection of E-isomer is favored due to its larger dipole moment, the missing detection of the Z-isomer can be due to the sensitivity limit of the GBT PRIMOS survey and the detection of the Z-isomer should be attempted with more sensitive instrumentation. The CN + CH{sub 2} = NH reaction can also play a role in the chemistry of the upper atmosphere of Titan where the cyanomethanimine products can contribute to the buildup of the observed nitrogen-rich organic aerosols that cover the moon.

  13. Providing theoretical data for detection of four formamidic acid isomers in astrophysical media

    Science.gov (United States)

    Vichietti, R. M.; da Silva, A. B. F.; Haiduke, R. L. A.

    2018-03-01

    We present a theoretical study, so that molecular data (geometrical parameters, vibrational frequencies, infrared intensities, electronic energies, enthalpies, and Gibbs energies) of four formamidic acid (FA) isomers (labeled here as FA1, FA2, FA3, and FA4) and formamide (HCONH2) are obtained from CCSD/cc-pVTZ, CCSD/aug-cc-pVTZ, CCSD/cc-pVQZ, and CCSD(T)/cc-pVTZ calculations. Furthermore, on the basis of insufficient or even lacking theoretical and experimental results in the literature, we employed the aforementioned theory levels to determine benchmark values of dipole moments and rotational constants for these four FA isomers in order to contribute for their detection in astrophysical environments. Besides, we provide for the first time data about forward and reverse rate constants (200-4000 K) and Arrhenius' parameters for each interconversion reaction between pairs of FA isomers as well as for the tautomeric process involving FA4 and formamide, which were calculated from a Complete Basis Set (CBS) extrapolation equation obtained at CCSD/cc-pVTZ optimized geometries. Our kinetic analysis indicated a faster interconversion between the FA structures in comparison with the FA4 ↔ HCONH2 process, suggesting that these isomers could co-exist in astrophysical media. Finally, we estimated that these isomers may be detected with relative abundances, [FAx]/[HCONH2] (x = 1, 2, 3, and 4), between ∼0.01 and ∼0.1% in astrophysical sources at chemical equilibrium conditions and temperatures around 1000 K. However, these ratios can become as high as ∼1, ∼3, and ∼5%, respectively, in hotter regions with temperatures around 2000, 3000, and 4000 K (expected, for example, in massive star-forming regions).

  14. Differential developmental toxicity of naphthoic acid isomers in medaka (Oryzias latipes) embryos

    Science.gov (United States)

    Carney, Michael W.; Erwin, Kyle; Hardman, Ron; Yuen, Bonny; Volz, David C.; Hinton, David E.; Kullman, Seth W.

    2013-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are widespread persistent pollutants that readily undergo biotic and abiotic conversion to numerous transformation products in rivers, lakes and estuarine sediments. Here we characterize the developmental toxicity of four PAH transformation products each structural isomers of hydroxynaphthoic acid: 1H2NA, 2H1NA, 2H3NA, and 6H2NA. Medaka fish (Oryzias latipes) embryos and eleutheroembryos were used to determine toxicity. A 96-well micro-plate format was used to establish a robust, statistically significant platform for assessment of early life stages. Individual naphthoic acid isomers demonstrated a rank order of toxicity with 1H2NA > 2H1NA > 2H3NA > 6H2NA being more toxic. Abnormalities of circulatory system were most pronounced including pericardial edema and tube heart. To determine if HNA isomers were AhR ligands, spatial-temporal expression and activity of CYP1A was measured via in vivo EROD assessments. qPCR measurement of CYP1A induction proved different between isomers dosed at respective concentrations affecting 50% of exposed individuals (EC50s). In vitro, all ANH isomers transactivated mouse AhR using a medaka CYP1A promoter specific reporter assay. Circulatory abnormalities followed P450 induction and response was consistent with PAH toxicity. A 96-well micro-plates proved suitable as exposure chambers and provided statistically sound evaluations as well as efficient toxicity screens. Our results demonstrate the use of medaka embryos for toxicity analysis thereby achieving REACH objectives for the reduction of adult animal testing in toxicity evaluations. PMID:18433798

  15. RHIC Polarized proton operation

    International Nuclear Information System (INIS)

    Huang, H.; Ahrens, L.; Alekseev, I.G.; Aschenauer, E.; Atoian, G.; Bai, M.; Bazilevsky, A.; Blaskiewicz, M.; Brennan, J.M.; Brown, K.A.; Bruno, D.; Connolly, R.; Dion, A.; D'Ottavio, T.; Drees, K.A.; Fischer, W.; Gardner, C.; Glenn, J.W.; Gu, X.; Harvey, M.; Hayes, T.; Hoff, L.; Hulsart, R.L.; Laster, J.; Liu, C.; Luo, Y.; MacKay, W.W.; Makdisi, Y.; Marr, G.J.; Marusic, A.; Meot, F.; Mernick, K.; Michnoff, R.; Minty, M.; Montag, C.; Morris, J.; Nemesure, S.; Poblaguev, A.; Ptitsyn, V.; Ranjibar, V.; Robert-Demolaize, G.; Roser, T.; Schmidke, B.; Schoefer, V.; Severino, F.; Smirnov, D.; Smith, K.; Steski, D.; Svirida, D.; Tepikian, S.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J.E.; Wang, G.; Wilinski, M.; Yip, K.; Zaltsman, A.; Zelenski, A.; Zeno, K.; Zhang, S.Y.

    2011-01-01

    The Relativistic Heavy Ion Collider (RHIC) operation as the polarized proton collider presents unique challenges since both luminosity(L) and spin polarization(P) are important. With longitudinally polarized beams at the experiments, the figure of merit is LP 4 . A lot of upgrades and modifications have been made since last polarized proton operation. A 9 MHz rf system is installed to improve longitudinal match at injection and to increase luminosity. The beam dump was upgraded to increase bunch intensity. A vertical survey of RHIC was performed before the run to get better magnet alignment. The orbit control is also improved this year. Additional efforts are put in to improve source polarization and AGS polarization transfer efficiency. To preserve polarization on the ramp, a new working point is chosen such that the vertical tune is near a third order resonance. The overview of the changes and the operation results are presented in this paper. Siberian snakes are essential tools to preserve polarization when accelerating polarized beams to higher energy. At the same time, the higher order resonances still can cause polarization loss. As seen in RHIC, the betatron tune has to be carefully set and maintained on the ramp and during the store to avoid polarization loss. In addition, the orbit control is also critical to preserve polarization. The higher polarization during this run comes from several improvements over last run. First we have a much better orbit on the ramp. The orbit feedback brings down the vertical rms orbit error to 0.1mm, much better than the 0.5mm last run. With correct BPM offset and vertical realignment, this rms orbit error is indeed small. Second, the jump quads in the AGS improved input polarization for RHIC. Third, the vertical tune was pushed further away from 7/10 snake resonance. The tune feedback maintained the tune at the desired value through the ramp. To calibrate the analyzing power of RHIC polarimeters at any energy above

  16. RHIC Polarized proton operation

    Energy Technology Data Exchange (ETDEWEB)

    Huang, H.; Ahrens, L.; Alekseev, I.G.; Aschenauer, E.; Atoian, G.; Bai, M.; Bazilevsky, A.; Blaskiewicz, M.; Brennan, J.M.; Brown, K.A.; Bruno, D.; Connolly, R.; Dion, A.; D' Ottavio, T.; Drees, K.A.; Fischer, W.; Gardner, C.; Glenn, J.W.; Gu, X.; Harvey, M.; Hayes, T.; Hoff, L.; Hulsart, R.L.; Laster, J.; Liu, C.; Luo, Y.; MacKay, W.W.; Makdisi, Y.; Marr, G.J.; Marusic, A.; Meot, F.; Mernick, K.; Michnoff, R,; Minty, M.; Montag, C.; Morris, J.; Nemesure, S.; Poblaguev, A.; Ptitsyn, V.; Ranjibar, V.; Robert-Demolaize, G.; Roser, T.; J.; Severino, F.; Schmidke, B.; Schoefer, V.; Severino, F.; Smirnov, D.; Smith, K.; Steski, D.; Svirida, D.; Tepikian, S.; Trbojevic, D.; Tsoupas, N.; Tuozzolo, J. Wang, G.; Wilinski, M.; Yip, K.; Zaltsman, A.; Zelenski, A.; Zeno, K.; Zhang, S.Y.

    2011-03-28

    The Relativistic Heavy Ion Collider (RHIC) operation as the polarized proton collider presents unique challenges since both luminosity(L) and spin polarization(P) are important. With longitudinally polarized beams at the experiments, the figure of merit is LP{sup 4}. A lot of upgrades and modifications have been made since last polarized proton operation. A 9 MHz rf system is installed to improve longitudinal match at injection and to increase luminosity. The beam dump was upgraded to increase bunch intensity. A vertical survey of RHIC was performed before the run to get better magnet alignment. The orbit control is also improved this year. Additional efforts are put in to improve source polarization and AGS polarization transfer efficiency. To preserve polarization on the ramp, a new working point is chosen such that the vertical tune is near a third order resonance. The overview of the changes and the operation results are presented in this paper. Siberian snakes are essential tools to preserve polarization when accelerating polarized beams to higher energy. At the same time, the higher order resonances still can cause polarization loss. As seen in RHIC, the betatron tune has to be carefully set and maintained on the ramp and during the store to avoid polarization loss. In addition, the orbit control is also critical to preserve polarization. The higher polarization during this run comes from several improvements over last run. First we have a much better orbit on the ramp. The orbit feedback brings down the vertical rms orbit error to 0.1mm, much better than the 0.5mm last run. With correct BPM offset and vertical realignment, this rms orbit error is indeed small. Second, the jump quads in the AGS improved input polarization for RHIC. Third, the vertical tune was pushed further away from 7/10 snake resonance. The tune feedback maintained the tune at the desired value through the ramp. To calibrate the analyzing power of RHIC polarimeters at any energy above

  17. Our Polar Past

    Science.gov (United States)

    Clary, Renee; Wandersee, James

    2009-01-01

    The study of polar exploration is fascinating and offers students insights into the history, culture, and politics that affect the developing sciences at the farthest ends of Earth. Therefore, the authors think there is value in incorporating polar exploration accounts within modern science classrooms, and so they conducted research to test their…

  18. Terahertz polarization imaging

    NARCIS (Netherlands)

    Van der Valk, N.C.J.; Van der Marel, W.A.M.; Planken, P.C.M.

    2005-01-01

    We present a new method to measure the polarization state of a terahertz pulse by using a modified electrooptic sampling setup. To illustrate the power of this method, we show two examples in which the knowledge of the polarization of the terahertz pulse is essential for interpreting the results:

  19. Polarized proton beams

    International Nuclear Information System (INIS)

    Roser, T.

    1995-01-01

    The acceleration of polarized proton beams in circular accelerators is complicated by the presence of numerous depolarizing spin resonances. Careful and tedious minimization of polarization loss at each of these resonances allowed acceleration of polarized proton beams up to 22 GeV. It has been the hope that Siberian Snakes, which are local spin rotators inserted into ring accelerators, would eliminate these resonances and allow acceleration of polarized beams with the same ease and efficiency that is now routine for unpolarized beams. First tests at IUCF with a full Siberian Snake showed that the spin dynamics with a Snake can be understood in detail. The author now has results of the first tests of a partial Siberian Snake at the AGS, accelerating polarized protons to an energy of about 25 GeV. These successful tests of storage and acceleration of polarized proton beams open up new possibilities such as stored polarized beams for internal target experiments and high energy polarized proton colliders

  20. Polar Science Is Cool!

    Science.gov (United States)

    Weeks, Sophie

    2012-01-01

    Children are fascinated by the fact that polar scientists do research in extremely cold and dangerous places. In the Arctic they might be viewed as lunch by a polar bear. In the Antarctic, they could lose toes and fingers to frostbite and the wind is so fast it can rip skin off. They camp on ice in continuous daylight, weeks from any form of…

  1. Combining results of two GC separations partly achieves determination of all cis and trans 16:1, 18:1, 18:2 and 18:3 except CLA isomers of milk fat as demonstrated using Ag-ion SPE fractionation.

    Science.gov (United States)

    Kramer, John K G; Hernandez, Marta; Cruz-Hernandez, Cristina; Kraft, Jana; Dugan, Michael E R

    2008-03-01

    Milk fat is a complex mixture of geometric and positional isomers of monounsaturated and polyunsaturated, including short-, long- and branch-chain fatty acids (FAs). There has been partial success to resolve this mixture of FAs using different GC temperature programs, or a combination of GC isothermal and temperature programs. To overcome the problem associated with overlapping isomers prior silver-ion separation was recommended. However, this procedure is time consuming and not practical for routine analysis. In addition, previous methods focused mainly on the trans and cis isomers of 18:1. The present method takes advantage of differences in the relative elution times between different types of FAs. The method involved analyzing each milk fat using the same highly polar 100-m capillary column and GC instrument, and conducting two separations using temperature programs that plateau at 175 and 150 degrees C. The relative shift among the geometric and positional isomers at these two temperature settings was enough to permit identification of most of the trans and cis 16:1, 18:1 and 20:1, the c/t-18:2 and the c/c/t-18:3 isomers found in milk fat. The identity of these FAs was confirmed by prior separation of the total fatty acid methyl esters (FAMEs) of milk fat using Ag(+)-SPE columns, and comparing the fractions to the total milk fat. The Ag(+)-SPE technique was modified to obtain pure saturated, trans- and cis-monounsaturated and diunsaturated FAMEs. By combining the results from these two separate GC analyses, knowing the elution order, it was possible to determine most of the geometric and positional isomers of 16:1, 18:1, 20:1, 18:2 and 18:3 without a prior silver-ion separation. Only few minor FAs could not be resolved, notable the conjugated linoleic acid isomers that still required the complimentary Ag(+)-HPLC separation. The two GC temperature programs have been successfully used to routinely analyze most FA isomers in total milk and beef fats in about 200

  2. Structure of two-, four-, and six-quasiparticle isomers in 174Yb and K-forbidden decays

    Science.gov (United States)

    Dracoulis, G. D.; Lane, G. J.; Kondev, F. G.; Byrne, A. P.; Kibédi, T.; Watanabe, H.; Ahmad, I.; Carpenter, M. P.; Freeman, S. J.; Janssens, R. V.; Hammond, N. J.; Lauritsen, T.; Lister, C. J.; Mukherjee, G.; Seweryniak, D.; Chowdhury, P.; Tandel, S. K.

    2005-04-01

    The stable nucleus 174Yb has been studied using deep-inelastic reactions and time-correlated γ-ray spectroscopy. New intrinsic states assigned include a 370-ns isomer at 1765 keV, which we associate with a predicted Kπ=7- two-quasineutron configuration. Analysis of the alignment and in-band properties of its rotational band, identified using time-correlated coincidences, allows characterization of the configuration. The properties of a newly identified rotational band built on the known 830-μs isomer at 1518 keV support the 6+, 2-quasineutron configuration assignment proposed previously. The 6+ band is fed by a four-quasiparticle, Kπ=14+ isomer at 3699 keV and several higher multiquasiparticle states, including a six-quasiparticle isomer at 6147 keV with K=(22,23). The results are discussed in terms of the states predicted on the basis of multiquasiparticle calculations. The anomalously fast K-forbidden transition strengths from the 14+ isomer are attributed to either K mixing in the neutron configuration or to random mixing in the high-level-density region. The 7- isomer decays are not abnormal, whereas the very hindered E2 transition from the 6+ isomer to the ground-state band remains unexplained.

  3. Fixed-bed adsorption separation of xylene isomers over sio2/silicallite-1 core-shell adsorbents

    KAUST Repository

    Khan, Easir A.

    2013-12-29

    SiO2/Silicalite-1 core-shell material has been demonstrated as potential shape selective adsorbent in gas phase separation of p-xylene from a mixture of p/o-xylene isomers. The core-shell composite comprised of large silica core and thin polycrystalline silicalite-1 shell which was synthesized via a self-assembly of silicalite-1 nanocrystals on core silica surface followed by a secondary seeded growth method. The core materials, SiO2 used in this study has mesoporosity with an average pore diameter of 60Å and hence offers no shape selectivity for xylene isomers. However, the shell, silicalite-1 contains rigid pore structures and preferentially adsorbs p-xylene from their isomers mixtures. A series of adsorption fixed bed breakthrough adsorption/desorption experiment was performed to obtain the equilibrium isotherms and adsorption isotherm parameters of xylene isomers. The equilibrium isotherms of xylene isomers follow the Langmuir\\'s model. A chromatographic adsorption model has been used to describe the fixed-bed breakthrough profiles of xylene isomers. The model has successfully predicted the responses of the binary mixtures of p/o-xylene isomers. The SiO2/silicalite-1 core-shell adsorbents have shown para-selectivity as high as 15. © Bangladesh Uni. of Engg. & Tech.

  4. Precision Polarization of Neutrons

    Science.gov (United States)

    Martin, Elise; Barron-Palos, Libertad; Couture, Aaron; Crawford, Christopher; Chupp, Tim; Danagoulian, Areg; Estes, Mary; Hona, Binita; Jones, Gordon; Klein, Andi; Penttila, Seppo; Sharma, Monisha; Wilburn, Scott

    2009-05-01

    Determining polarization of a cold neutron beam to high precision is required for the next generation neutron decay correlation experiments at the SNS, such as the proposed abBA and PANDA experiments. Precision polarimetry measurements were conducted at Los Alamos National Laboratory with the goal of determining the beam polarization to the level of 10-3 or better. The cold neutrons from FP12 were polarized using optically polarized ^3He gas as a spin filter, which has a highly spin-dependent absorption cross section. A second ^ 3He spin filter was used to analyze the neutron polarization after passing through a resonant RF spin rotator. A discussion of the experiment and results will be given.

  5. Optically polarized 3He

    Science.gov (United States)

    Gentile, T. R.; Nacher, P. J.; Saam, B.; Walker, T. G.

    2018-01-01

    This article reviews the physics and technology of producing large quantities of highly spin-polarized 3He nuclei using spin-exchange (SEOP) and metastability-exchange (MEOP) optical pumping. Both technical developments and deeper understanding of the physical processes involved have led to substantial improvements in the capabilities of both methods. For SEOP, the use of spectrally narrowed lasers and K-Rb mixtures has substantially increased the achievable polarization and polarizing rate. For MEOP nearly lossless compression allows for rapid production of polarized 3He and operation in high magnetic fields has likewise significantly increased the pressure at which this method can be performed, and revealed new phenomena. Both methods have benefitted from development of storage methods that allow for spin-relaxation times of hundreds of hours, and specialized precision methods for polarimetry. SEOP and MEOP are now widely applied for spin-polarized targets, neutron spin filters, magnetic resonance imaging, and precision measurements. PMID:29503479

  6. Optically polarized 3He

    Science.gov (United States)

    Gentile, T. R.; Nacher, P. J.; Saam, B.; Walker, T. G.

    2017-10-01

    This article reviews the physics and technology of producing large quantities of highly spin-polarized 3He nuclei using spin-exchange (SEOP) and metastability-exchange (MEOP) optical pumping. Both technical developments and deeper understanding of the physical processes involved have led to substantial improvements in the capabilities of both methods. For SEOP, the use of spectrally narrowed lasers and K-Rb mixtures has substantially increased the achievable polarization and polarizing rate. For MEOP nearly lossless compression allows for rapid production of polarized 3He and operation in high magnetic fields has likewise significantly increased the pressure at which this method can be performed, and revealed new phenomena. Both methods have benefitted from development of storage methods that allow for spin-relaxation times of hundreds of hours, and specialized precision methods for polarimetry. SEOP and MEOP are now widely applied for spin-polarized targets, neutron spin filters, magnetic resonance imaging, and precision measurements.

  7. 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.

  8. Isomers of Poly Aminophenol: Chemical Synthesis, Characterization, and Its Corrosion Protection Aspect on Mild Steel in 1 M HCl

    Directory of Open Access Journals (Sweden)

    G. Thenmozhi

    2014-01-01

    Full Text Available The oxidative chemical polymerizations of three isomers of aminophenol, ortho, meta, and para (PoAP, PmAP, and PpAP, were performed in aqueous HCl using ammonium persulfate as an oxidant at 0–3°C. The synthesized polymers were characterized by employing elemental analysis, GPC, UV-VIS-NIR, FT-IR, XRD, and TGA. The corrosion inhibition effect of these three polymers on mild steel in 1 M HCl solution was studied by using electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy. These measurements reveal that the inhibition efficiency obtained by these polymers increased by increasing their concentration. The inhibition efficiency follows the order PpAP > PoAP > PmAP. The results further revealed that PpAP at a concentration of 250 mg/L furnishes maximum inhibition efficiency (96.5%. Polarization studies indicated that these three polymers act as the mixed type corrosion inhibitors.

  9. Polarization at the SLC

    Energy Technology Data Exchange (ETDEWEB)

    Moffeit, K.C.

    1988-10-01

    The Stanford Linear collider was designed to accommodate polarized electron beams. Longitudinally polarized electrons colliding with unpolarized positrons at a center of mass energy near the Z/sup 0/ mass can be used as novel and sensitive probes of the electroweak process. A gallium arsenide based photon emission source will provide a beam of longitudinally polarized electrons of about 45 percent polarization. A system of bend magnets and a superconducting solenoid will be used to rotate the spins so that the polarization is preserved while the 1.21 GeV electrons are stored in the damping ring. Another set of bend magnets and two superconducting solenoids orient the spin vectors so that longitudinal polarization of the electrons is achieved at the collision point with the unpolarized positrons. A system to monitor the polarization based on Moller and Compton scattering will be used. Nearly all major components have been fabricated and tested. Subsystems of the source and polarimeters have been installed, and studies are in progress. The installation and commissioning of the entire system will take place during available machine shutdown periods as the commissioning of SLC progresses. 8 refs., 16 figs., 1 tab.

  10. g-factor of the Kπ = 14+ isomer in 176 W

    International Nuclear Information System (INIS)

    Ionescu-Bujor, M.; Iordachescu, A.; Marginean, N.; Brandolini, F.; Pavan, P.; Lenzi, S.M.; De Poli, M.; Gadea, A.; Martinez, T.; Medina, N.H.; Ribas, R.V.; Podolyak, Zs.

    2000-01-01

    In the deformed A ≅ 180 nuclei with β 2 ≅ 0.25 multi-quasiparticle intrinsic states are able to compete with rotational structures as both proton and neutron Fermi surfaces are close to nucleon orbits with large projections Ω on the prolate symmetry axis. Due to the approximate conservation of the K quantum number, these states often have hindered decays with half-lives ranging from nanoseconds to years. The decay characteristics of the high-K isomers, as well as the properties of the collective bands built on them, were subject of detailed experimental studies over the last decade. Particular attention has been devoted to the apparent breakdown of the K-selection rule observed experimentally in the decay of several high-spin isomeric states of the A ≅ 180 region. A very interesting high-K isomer showing in its decay a severe violation of the K-selection rule has been recently found in 176 W. The isomeric state, with K π = 14 + , T 1/2 = 35(10) ns and E x =3746 keV, de-excites predominantly to states with K=0, bypassing available levels of intermediate K. To elucidate the isomer underlying structure, an experiment to determine its the g-factor has been performed at the LNL XTU-tandem, by applying the time-differential perturbed angular distribution (TDPAD) method in an external magnetic field. The isomer was populated in the 164 Dy( 16 O,4n) 176 W reaction at a bombarding energy of 83 MeV. The 16 O beam has been pulsed with a pulse width of 1.5 ns at a repetition period of 800 ns. In view of the very low isomer population (about 2% of the 4n channel), a high suppression of the continuous beam in-between the beam bursts was necessary for a proper observation of the isomeric decay γ-lines. The target consisted of 0.5 mg/cm 2 metallic 164 Dy on thick Pb backing in which both the recoiling 176 W nuclei and the projectiles were stopped. Two planar Ge detectors and two Ge detectors of 25% efficiency placed at the angles ± 135 angle and ± 45 angle with respect

  11. Resolution of the 179W isomer anomaly: exposure of a fermi aligned s-band

    International Nuclear Information System (INIS)

    Walker, P.M.; Surrey Univ., Guildford; Dracoulis, G.D.; Byrne, A.P.; Fabricius, B.; Kibedi, T.; Stuchbery, A.E.

    1991-06-01

    The K Π = 35/2 - , five quasiparticle isomer in 179 W is shown to decay into the region of a backbend in the 7/2 - [514] band, allowing for the first time the identification of a full set of aligned-band states. Destructive interference results from level-mixing in the band-crossing region. The deduced γ-ray branching ratios are used to establish the mixing matrix elements and to show that the aligned band has a high value of the K-quantum number. The properties of well-defined alignment and yet also high-K, provided the first clear example of a Fermi Aligned s-band. The anomalous decay of the isomer itself is now explained. 11 refs., 1 tab., 3 figs

  12. Supramolecular isomers, water clusters and solvent-mediated transformations in a series of lanthanide MOFs

    Science.gov (United States)

    Michaelides, Adonis; Skoulika, Stavroula

    2017-09-01

    A series of Lanthanide MOFs of hydromuconic acid (H2hymuc) with cations of different size (La3+, Ce3+, Gd3+, Y3+) were generated at room temperature, pH = 5.5-5.8, using water as solvent. Two microporous genuine supramolecular isomers were found for the larger cations (La3+, Ce3+) sustained either by discrete (H2O)18 clusters or by infinite water tapes, consisting of fused tetramers, pentamers and hexamers. The smaller cations (Gd3+, Y3+) produced a 2D phase, considered as catenane isomer of previously published lanthanide MOFs with adipic acid. MOFs obtained with Ce3+, Gd3+and Y3+ undergo irreversible solvent-mediated transformation, yielding isomorphous 3D two-fold interpenetrated MOFs. The close structural similarity between the 2D phase and the 3D interpenetrated one indicated a possible mechanism for this transformation.

  13. Interactions between major chlorogenic acid isomers and chemical changes in coffee brew that affect antioxidant activities.

    Science.gov (United States)

    Liang, Ningjian; Xue, Wei; Kennepohl, Pierre; Kitts, David D

    2016-12-15

    Coffee bean source and roasting conditions significantly (p<0.05) affected the content of chlorogenic acid (CGA) isomers, several indices of browning and subsequent antioxidant values. Principal component analysis was used to interpret the correlations between physiochemical and antioxidant parameters of coffee. CGA isomer content was positively correlated (p<0.001) to capacity of coffee to reduce nitric oxide and scavenge Frémy's salt. Indices of browning in roasted coffee were positively correlated (p<0.001) to ABTS and TEMPO radical scavenging capacity, respectively. Only the CGA content of coffee corresponded to intracellular antioxidant capacity measured in Caco-2 intestinal cells. This study concluded that the intracellular antioxidant capacity that best describes potential health benefits of coffee positively corresponds best with CGA content. Copyright © 2016 The Authors. Published by Elsevier Ltd.. All rights reserved.

  14. Effect of food processing on degradation of hexachlorocyclohexane and its isomers in milk.

    Science.gov (United States)

    Singh, Sujatha; Nelapati, Krishnaiah

    2017-03-01

    To study the effect of different food processing techniques on the degradation of organochlorine compounds (α, β, ɣ and δ hexachlorocyclohexane isomers (HCH)) residues in both natural and fortified samples of milk. Raw milk samples are collected from the local areas of Hyderabad, India. Naturally and fortified milk samples (HCH) were subjected to various food processing techniques, pasteurization (63ºC for ½ h), sterilization (121ºC for 15 min) and boiling for 5 min and analyzed by gas chromatography with electron capture detector using quick, easy, cheap, effective, rugged and safe method for multiresidue analysis of pesticides in milk with slight modification. The final mean residual concentration of pesticide in milk after heat processing and percentage of degradation were calculated with respective treatments. Heat treatments are highly effective on reduction of mean residual concentration of HCH in milk. In which Sterilization and boiling proved to be more effective in degradation of HCH isomers.

  15. Resolution of the 179W-isomer anomaly: Exposure of a Fermi-aligned s band

    International Nuclear Information System (INIS)

    Walker, P.M.; Dracoulis, G.D.; Byrne, A.P.; Fabricius, B.; Kibedi, T.; Stuchbery, A.E.; Department of Physics, University of Surrey, Guildford, GU2 5XH United Kingdom)

    1991-01-01

    The K π =35/2 - , five-quasiparticle isomer in 179 W is shown to decay into the region of a backbend in the 7/2 - [514] band, allowing for the first time the identification of a full set of aligned-band states. Destructive interference results from level mixing in the band-crossing region. The deduced γ-ray branching ratios are used to establish the mixing matrix elements and to show that the aligned band has a high value of the K quantum number. The properties of well-defined alignment and yet also high K provide the first clear example of a Fermi-aligned s band. The anomalous decay of the isomer itself is now explained

  16. Energy of the 4(+) isomer and new bands in the odd-odd nucleus 74Br

    International Nuclear Information System (INIS)

    Doering, J.; Holcomb, J.W.; Johnson, T.D.; Riley, M.A.; Tabor, S.L.; Womble, P.C.; Winter, G.

    1993-01-01

    High-spin states of the odd-odd nucleus 74 Br were investigated via the reactions 58 Ni ( 19 F,2pn) 74 Br and 65 Cu( 12 C,3n) 74 Br at beam energies of 62 and 50 MeV, respectively. On the basis of coincidence data new levels have been introduced and partly grouped into rotational bands. Some of these new states decay to known levels of negative-parity bands built on both the ground state and the long-lived 4 (+) isomer. Thus, an excitation energy of 13.8 keV has been deduced for the long-lived isomer in 74 Br. The level sequences observed are interpreted in terms of Nilsson configurations in conjunction with collective excitations

  17. Polarized atomic beams for targets

    International Nuclear Information System (INIS)

    Grueebler, W.

    1984-01-01

    The basic principle of the production of polarized atomic hydrogen and deuterium beams are reviewed. The status of the present available polarization, density and intensity are presented. The improvement of atomic beam density by cooling the hydrogen atoms to low velocity is discussed. The possible use of polarized atomic beams as targets in storage rings is shown. It is proposed that polarized atomic beams can be used to produce polarized gas targets with high polarization and greatly improved density

  18. Polarized scintillator targets

    Science.gov (United States)

    van den Brandt, B.; Bunyatova, E. I.; Hautle, P.; Konter, J. A.; Mango, S.

    2000-05-01

    The hydrogen nuclei in an organic scintillator have been polarized to more than 80% and the deuterons in its fully deuterated version to 24%. The scintillator, doped with TEMPO, has been polarized dynamically in a field of 2.5 T in a vertical dilution refrigerator in which a plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat. Sizeable solid samples with acceptable optical properties and light output have been prepared and successfully operated as "live" polarized targets in nuclear physics experiments.

  19. Polarized scintillator targets

    Energy Technology Data Exchange (ETDEWEB)

    Brandt, B. van den E-mail: vandenbrandt@psi.ch; Bunyatova, E.I.; Hautle, P.; Konter, J.A.; Mango, S

    2000-05-21

    The hydrogen nuclei in an organic scintillator have been polarized to more than 80% and the deuterons in its fully deuterated version to 24%. The scintillator, doped with TEMPO, has been polarized dynamically in a field of 2.5 T in a vertical dilution refrigerator in which a plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat. Sizeable solid samples with acceptable optical properties and light output have been prepared and successfully operated as 'live' polarized targets in nuclear physics experiments.

  20. Heidelberg polarized alkali source

    International Nuclear Information System (INIS)

    Kraemer, D.; Steffens, E.; Jaensch, H.; Philipps Universitaet, Marburg, Germany)

    1984-01-01

    A new atomic beam type polarized alkali ion source has been installed at Heidelberg. In order to improve the beam polarization considerably optical pumping is applied in combination with an adiabatic medium field transition which results in beams in single hyperfine sublevels. The m state population is determined by laser-induced fluorescence spectroscopy. Highly polarized beams (P/sub s/ > 0.9, s = z, zz) with intensities of 30 to 130 μA can be extracted for Li + and Na + , respectively

  1. Polarization measurement in the COMPASS polarized target

    CERN Document Server

    Kondo, K; Baum, G; Berglund, P; Doshita, N; Gautheron, F; Görtz, S; Hasegawa, T; Horikawa, N; Ishimoto, S; Iwata, T; Kisselev, Yu V; Koivuniemi, J H; Le Goff, J M; Magnon, A; Meyer, W; Reicherz, G; Matsuda, T

    2004-01-01

    Continuous wave nuclear magnetic resonance (NMR) is used to determine the target polarization in the COMPASS experiment. The system is made of the so-called Liverpool Q-meters, Yale-cards, and VME modules for data taking and system controlling. In 2001 the NMR coils were embedded in the target material, while in 2002 and 2003 the coils were mounted on the outer surface of the target cells to increase the packing factor of the material. Though the error of the measurement became larger with the outer coils than with the inner coils, we have performed stable measurements throughout the COMPASS run time for 3 years. The maximum polarization was +57% and -53% as the average in the target cells.

  2. A comparative study of the metal binding behavior of alanine based bis-thiourea isomers

    OpenAIRE

    Fakhar, Imran; Yamin, Bohari M.; Hasbullah, Siti Aishah

    2017-01-01

    Two new symmetrical bis-thiourea, 2,2?-[{(terephthaloylbis(azanediyl)bis(carbonothioyl) bis(azanediyl)}dipropanoic acid] (1A) and 3,3?-[{(terephthaloylbis(azanediyl)bis (carbonothioyl)bis(azanediyl)} dipropanoic acid] (1B) were synthesized by the reaction of terephthaloyl chloride with ?- and ?-alanine in good yields. Their binding properties were investigated with various metal cations using UV?Vis titration experiments. Both isomers exhibited effective binding with Ag+, Cu2+, Hg2+, Pb2+, Fe...

  3. Investigation of HNCO isomer formation in ice mantles by UV and thermal processing: An experimental approach

    International Nuclear Information System (INIS)

    Jiménez-Escobar, A.; Giuliano, B. M.; Caro, G. M. Muñoz; Cernicharo, J.; Marcelino, N.

    2014-01-01

    Current gas-phase models do not account for the abundances of HNCO isomers detected in various environments, suggesting their formation in icy grain mantles. We attempted to study a formation channel of HNCO and its possible isomers by vacuum-UV photoprocessing of interstellar ice analogs containing H 2 O, NH 3 , CO, HCN, CH 3 OH, CH 4 , and N 2 followed by warm-up under astrophysically relevant conditions. Only the H 2 O:NH 3 :CO and H 2 O:HCN ice mixtures led to the production of HNCO species. The possible isomerization of HNCO to its higher energy tautomers following irradiation or due to ice warm-up has been scrutinized. The photochemistry and thermal chemistry of H 2 O:NH 3 :CO and H 2 O:HCN ices were simulated using the Interstellar Astrochemistry Chamber, a state-of-the-art ultra-high-vacuum setup. The ice was monitored in situ by Fourier transform mid-infrared spectroscopy in transmittance. A quadrupole mass spectrometer detected the desorption of the molecules in the gas phase. UV photoprocessing of H 2 O:NH 3 :CO and H 2 O:HCN ices lead to the formation of OCN – as a main product in the solid state and a minor amount of HNCO. The second isomer HOCN has been tentatively identified. Despite its low efficiency, the formation of HNCO and the HOCN isomers by UV photoprocessing of realistic simulated ice mantles might explain the observed abundances of these species in photodissociation regions, hot cores, and dark clouds.

  4. Effect of food processing on degradation of hexachlorocyclohexane and its isomers in milk

    OpenAIRE

    Singh, Sujatha; Nelapati, Krishnaiah

    2017-01-01

    Aim: To study the effect of different food processing techniques on the degradation of organochlorine compounds (α, β, ɣ and δ hexachlorocyclohexane isomers (HCH)) residues in both natural and fortified samples of milk. Materials and Methods: Raw milk samples are collected from the local areas of Hyderabad, India. Naturally and fortified milk samples (HCH) were subjected to various food processing techniques, pasteurization (63ºC for ½ h), sterilization (121ºC for 15 min) and boiling for 5...

  5. Dependence of electrical properties of polypropylene isomers on morphology and chain conformation

    Energy Technology Data Exchange (ETDEWEB)

    Guadagno, Liberata; Raimondo, Marialuigia; Vittoria, Vittoria [Dipartimento di Ingegneria Chimica e Alimentare, Universita di Salerno, Via Ponte Don Melillo, 84084 Fisciano (Italy); Bartolomeo, Antonio Di [Dipartimento di Fisica ' E Caianiello' , Via S Allende, 84081 Baronissi (Italy); De Vivo, Biagio; Lamberti, Patrizia; Tucci, Vincenzo, E-mail: lguadagno@unisa.i [Dipartimento di Ingegneria dell' Informazione e Ingegneria Elettrica Universita di Salerno, Via Ponte Don Melillo, 84084 Fisciano (Saudi Arabia) (Italy)

    2009-07-07

    The electrical properties of polypropylene isomers were correlated with the morphology and chain conformation of differently obtained isotactic (iPP) and syndiotactic (sPP) samples. In the case of iPP, a crystallized and a smectic sample were prepared, whereas for sPP two crystalline helical samples and a mesophase with the chains in trans-planar conformation were considered. The phase composition was obtained for all the samples comparing x-ray diffractograms and transport properties of vapours, which give the crystallinity and the amorphous fraction, respectively. The fraction of mesophase was obtained by the difference of the previous values. The study of the morphology evidenced similarities and differences among the samples, which were discussed and correlated with the phase composition. The electrical conductivity was measured for all the samples, and the syndiotactic isomer showed the lowest value as well as a dependence on the structure. In contrast, the isotactic isomer showed the same behaviour for either polymorph. Based on the structural and electrical results, a phenomenological explanation of the conduction mechanisms taking place in the different forms has been proposed. In particular, the current in the iPP seems to be controlled by Schottky emission, i.e. by field-assisted thermo-ionic injection of carriers from the electrode into the polymer, whereas for the sPP more than one mechanism is likely to be effective, although the ionic transport appears as the predominant one. The experimental data confirm a different behaviour of the ionic conduction properties for the different polymorphs, highlighting the greater insulating characteristics of the mesomorphic structure of the syndiotactic isomer.

  6. Proline Isomer-Specific Antibodies Reveal the Early Pathogenic Tau Conformation in Alzheimer's Disease

    OpenAIRE

    Nakamura, Kazuhiro; Greenwood, Alex; Binder, Lester; Bigio, Eileen H.; Denial, Sarah; Nicholson, Linda; Zhou, Xiao Zhen; Lu, Kun Ping

    2012-01-01

    Cis-trans isomerization of proteins phosphorylated by proline-directed kinases is proposed to control numerous signaling molecules, and is implicated in the pathogenesis of Alzheimer’s and other diseases. However, there is no direct evidence for the existence of cis-trans protein isomers in vivo, or for their conformation-specific function or regulation. Here we develop peptide chemistries that allow the generation of cis and trans-specific antibodies, and use them to raise antibodies specifi...

  7. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

    Energy Technology Data Exchange (ETDEWEB)

    Obaid, Rana [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria); Faculty of Pharmacy, Al-Quds University, Abu Dis, Palestine (Country Unknown); Kinzel, Daniel; Oppel, Markus, E-mail: markus.oppel@univie.ac.at; González, Leticia [Institut für Theoretische Chemie, Universität Wien, Währinger Str. 17, 1090 Wien (Austria)

    2014-10-28

    Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

  8. New decay modes of the high-spin isomer of {sup 124}Cs

    Energy Technology Data Exchange (ETDEWEB)

    Radich, A.J.; Garrett, P.E.; Bianco, L.; Bildstein, V.; Chagnon-Lessard, S.; Demand, G.A.; Diaz Varela, A.; Dunlop, R.; Finlay, P.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A.T.; Leach, K.G.; McGee, E.; Michetti-Wilson, J.; Rand, E.T.; Svensson, C.E.; Wong, J. [University of Guelph, Department of Physics, Guelph, ON (Canada); Andreoiu, C.; Cross, D.S.; Starosta, K. [Simon Fraser University, Department of Chemistry, Burnaby, BC (Canada); Ball, G.C.; Garnsworthy, A.B.; Hackman, G.; Rajabali, M.M. [TRIUMF, Vancouver, BC (Canada); Orce, J.N. [TRIUMF, Vancouver, BC (Canada); University of the Western Cape, Department of Physics, Bellville (South Africa); Sumithrarachchi, C.S. [University of Guelph, Department of Physics, Guelph, ON (Canada); Michigan State University, National Superconducting Cyclotron Laboratory, East Lansing, MI (United States); Triambak, S. [TRIUMF, Vancouver, BC (Canada); University of the Western Cape, Department of Physics, Bellville (South Africa); iThemba LABS, Somerset West (South Africa); Wang, Z.M. [Simon Fraser University, Department of Chemistry, Burnaby, BC (Canada); TRIUMF, Vancouver, BC (Canada); Williams, S.J. [TRIUMF, Vancouver, BC (Canada); Michigan State University, National Superconducting Cyclotron Laboratory, East Lansing, MI (United States); Wood, J.L. [Georgia Institute of Technology, School of Physics, Atlanta, GA (United States); Yates, S.W. [University of Kentucky, Departments of Chemistry and Physics and Astronomy, Lexington, KY (United States)

    2017-09-15

    A new β{sup +}/EC branch of 0.11 ± 0.02 % from the (7){sup +} isomer of {sup 124}Cs was identified in a measurement of the decay of {sup 124}Cs using the 8 π spectrometer at TRIUMF. Combinations of γ-γ, γ-e{sup -}, and e{sup -}-e{sup -} coincidence data were used to further investigate the isomeric decay. Six new transitions were observed and their branching ratios were measured. (orig.)

  9. Constitutional Isomers of Dendrimer-like Star Polymers: Design, Synthesis and Conformational and Structural Properties

    Energy Technology Data Exchange (ETDEWEB)

    Pople, John A

    2001-03-22

    The design, synthesis and solution properties of six constitutional isomers of dendrimer-like star polymers is described. Each of the polymers have comparable molecular weights ({approx} 80,000 g/mol), narrow polydispersities (< 1.19) and an identical number of branching junctures (45) and surface hydroxyl functionalities (48). The only difference in the six isomers is the placement of the branching junctures. The polymers are constructed from high molecular weight poly(e-caprolactone) with branching junctures derived from 2,2'-bis(hydroxylmethyl) propionic acid (bis-MPA) emanating from a central core. The use of various generations of dendritic initiators and dendrons coupled with the ring opening polymerization of e-caprolactones allowed a modular approach to the dendrimer-like star polymer isomers. The most pronounced effects on the physical properties/morphology and hydrodynamic volume was for those polymers in which the branching was distributed throughout the sample in a dendrimer-like fashion. The versatility of this approach has provided the possibility of understanding the relationship between architecture and physical properties. Dynamic light scattering and small angle X-ray scattering techniques were used to determine the hydrodynamic radius Rh and radius of gyration Rg respectively. The relationship between Rg and molecular weight was indicative of a compact star-like structure, and did not show advanced bias towards either the dense core or dense shell models. The radial density distribution of the isomers was therefore modeled according to a many arm star polymer, and good agreement was found with experimental measures of Rh/Rg.

  10. Identification of the naturally occurring isomer of zearalenol produced by Fusarium roseum 'Gibbosum' in rice culture.

    Science.gov (United States)

    Hagler, W M; Mirocha, C J; Pathre, S V; Behrens, J C

    1979-01-01

    One diastereomer of trans-zearalenol [2,4-dihydroxy-6-(6,10-dihydroxy-trans-1-undecenyl)-benzoic acid-mu-lactone] was isolated from cultures of Fusarium roseum 'Gibbosum.' This strongly estrogenic metabolite was identified by analysis of its mass spectrum and its behavior in thin-layer, high-pressure liquid and gas-liquid chromatographic systems. The concentration of zearalenol in cultures was 563 mu g/g, or 7% of the 8,000-mu g/g zearalenone content, while the two diastereomers of 8'-hydroxyzearalenone each occurred at 3% of the zearalenone level. Of the two possible diastereomers of zearalenol, the one occurring in cultures was identical to the low-melting-point (171 degrees C) isomer (alpha) obtained by synthesis. In the rat uterus bioassay, the alpha zearalenol isomer was three times more estrogenic than zearalenone while the beta isomer was equal in activity in zearalenone. The two diastereomers of zearalenol can be distinguished from each other by the intensity of the m/e+ 302 fragment of the mass spectrum of the pure underivatized compound. PMID:485136

  11. Production of isomers in compound and transfer reactions with 4He ions

    International Nuclear Information System (INIS)

    Karamyan, S.A.; Aksenov, N.V.; Albin, Yu.A.; Bozhikov, G.A.; Dmitriev, S.N.; Starodub, G.Ya.; Vostokin, G.K.; Carroll, J.J.

    2011-01-01

    A well-known island of nuclear isomerism appears near A = 175-180 due to the deformation alignment of single-particle orbits at high angular momentum. This sometimes results in the formation of multi-quasiparticle states with record spin that are long-lived because of 'K-hindrance', i.e., symmetry rearrangement. Production methods and spectroscopic studies of these isomers remain a challenge for modern nuclear reaction and nuclear structure physics. Activities were produced by irradiation of 176 Yb(97.6%) enriched and nat Lu targets with 35-MeV 4 He ions from the internal beam of the U200 cyclotron. Induced activities were analyzed applying methods of radiochemistry and gamma spectroscopy. Yields of compound and nucleon-transfer reactions were measured and the isomer-to-ground state ratios were deduced. Calculated results were obtained using standard procedures to reproduce the (α, xn) cross sections, and the systematic behavior of the nucleon-transfer yields was established. The isomer-to-ground state ratios for direct reactions with 4 He ions were examined, resulting in a new characterization of the reaction mechanism

  12. Profiling of the Molecular Weight and Structural Isomer Abundance of Macroalgae-Derived Phlorotannins

    Science.gov (United States)

    Heffernan, Natalie; Brunton, Nigel P.; FitzGerald, Richard J.; Smyth, Thomas J.

    2015-01-01

    Phlorotannins are a group of complex polymers of phloroglucinol (1,3,5-trihydroxybenzene) unique to macroalgae. These phenolic compounds are integral structural components of the cell wall in brown algae, but also play many secondary ecological roles such as protection from UV radiation and defense against grazing. This study employed Ultra Performance Liquid Chromatography (UPLC) with tandem mass spectrometry to investigate isomeric complexity and observed differences in phlorotannins derived from macroalgae harvested off the Irish coast (Fucus serratus, Fucus vesiculosus, Himanthalia elongata and Cystoseira nodicaulis). Antioxidant activity and total phenolic content assays were used as an index for producing phlorotannin fractions, enriched using molecular weight cut-off dialysis with subsequent flash chromatography to profile phlorotannin isomers in these macroalgae. These fractions were profiled using UPLC-MS with multiple reaction monitoring (MRM) and the level of isomerization for specific molecular weight phlorotannins between 3 and 16 monomers were determined. The majority of the low molecular weight (LMW) phlorotannins were found to have a molecular weight range equivalent to 4–12 monomers of phloroglucinol. The level of isomerization within the individual macroalgal species differed, resulting in substantially different numbers of phlorotannin isomers for particular molecular weights. F. vesiculosus had the highest number of isomers of 61 at one specific molecular mass, corresponding to 12 phloroglucinol units (PGUs). These results highlight the complex nature of these extracts and emphasize the challenges involved in structural elucidation of these compounds. PMID:25603345

  13. Nonadiabatic dynamics simulation of photoisomerization mechanism of the second stablest isomer of N-salicilydenemethylfurylamine

    Science.gov (United States)

    Gao, Aihua; Li, Jianpeng; Wang, Dehua; Ma, Xiaoguang; Wang, Meishan

    2018-02-01

    The photoisomerization processes of the second stablest isomer in the aromatic Schiff base, N-salicilydenemethylfurylamine, in the gas phase have been studied by static electronic structure calculations and surface-hopping dynamics simulations based on the Zhu-Nakamura theory. Various stable structures are obtained in the optimization because of different orientations of methyl-furyl part with respect to the salicylaldimine part and different orientations of hydroxy group with respect to the benzene ring. Upon photoexcitation into the first excited state, bond isomerization in the salicylaldimine part is completely suppressed until the strong excited-state hydrogen bond is broken. The decay pathway involves two excited-state minima, one in cis-enol form and the other in cis-keto form. After the excited-state proton transfer, twists of bonds lead to a conical intersection between the ground and excited states. After internal conversion around a conical intersection, the molecule is stabilized in cis- or trans-keto form. If the reverse hydrogen transfer process occurs in the ground state, the molecule will finally end up in the cis-enol region. The cis-keto and trans-keto isomers are observed as photoproducts. According to our full-dimensional nonadiabatic dynamics simulations, we find the excited-state intramolecular proton transfer and torsions of three single bonds in the chain to be responsible for photoisomerization of the second stablest isomer of N-salicilydenemethylfurylamine.

  14. Evidence for two interconverting protein isomers in the methotrexate complex of dihydrofolate reductase from Escherichia coli

    Energy Technology Data Exchange (ETDEWEB)

    Falzone, C.J.; Benkovic, S.J. (Pennsylvania State Univ., University Park (United States)); Wright, P.E. (Research Inst. of Scripps Clinic, La Jolla, CA (United States))

    1991-02-26

    Two-dimensional {sup 1}H NMR methods and a knowledge of the X-ray crystal structure have been used to make resonance assignments for the amino acid side chains of dihydrofolate reductase from Escherichia coli complexed with methotrexate. The H7 proton on the pteridine ring of methotrexate was found to have NOEs to the methyl protons of Leu-28 which were assigned by using the L28F mutant. These NOEs indicated that the orientation of the methotrexate pteridine ring is similar in both solution and crystal structures. During the initial assignment process, it became evident that many of the resonances in this complex, unlike those of the folate complex, are severally broadened or doubled. The observation of two distinct sets of resonances in a ratio of approximately 2:1 was attributed to the presence of two protein isomers. Many of the side chains with clearly doubled resonances were located in the {beta}-sheet and the active site. Preliminary studies on the apoprotein also revealed doubled resonances in the absence of the inhibitor, indicating the existence of the protein isomers prior to methotrexate binding. In contrast to the methotrexate complex, the binary complex with folate and the ternary MTX-NADPH-DHFR complex presented a single enzyme form. These results are proposed to reflect the ability of folate and NADPH to bind predominantly to one protein isomer.

  15. Profiling of the Molecular Weight and Structural Isomer Abundance of Macroalgae-Derived Phlorotannins

    Directory of Open Access Journals (Sweden)

    Natalie Heffernan

    2015-01-01

    Full Text Available Phlorotannins are a group of complex polymers of phloroglucinol (1,3,5-trihydroxybenzene unique to macroalgae. These phenolic compounds are integral structural components of the cell wall in brown algae, but also play many secondary ecological roles such as protection from UV radiation and defense against grazing. This study employed Ultra Performance Liquid Chromatography (UPLC with tandem mass spectrometry to investigate isomeric complexity and observed differences in phlorotannins derived from macroalgae harvested off the Irish coast (Fucus serratus, Fucus vesiculosus, Himanthalia elongata and Cystoseira nodicaulis. Antioxidant activity and total phenolic content assays were used as an index for producing phlorotannin fractions, enriched using molecular weight cut-off dialysis with subsequent flash chromatography to profile phlorotannin isomers in these macroalgae. These fractions were profiled using UPLC-MS with multiple reaction monitoring (MRM and the level of isomerization for specific molecular weight phlorotannins between 3 and 16 monomers were determined. The majority of the low molecular weight (LMW phlorotannins were found to have a molecular weight range equivalent to 4–12 monomers of phloroglucinol. The level of isomerization within the individual macroalgal species differed, resulting in substantially different numbers of phlorotannin isomers for particular molecular weights. F. vesiculosus had the highest number of isomers of 61 at one specific molecular mass, corresponding to 12 phloroglucinol units (PGUs. These results highlight the complex nature of these extracts and emphasize the challenges involved in structural elucidation of these compounds.

  16. Experimental determination of the energy difference between competing isomers of deposited, size-selected gold nanoclusters.

    Science.gov (United States)

    Foster, D M; Ferrando, R; Palmer, R E

    2018-04-03

    The equilibrium structures and dynamics of a nanoscale system are regulated by a complex potential energy surface (PES). This is a key target of theoretical calculations but experimentally elusive. We report the measurement of a key PES parameter for a model nanosystem: size-selected Au nanoclusters, soft-landed on amorphous silicon nitride supports. We obtain the energy difference between the most abundant structural isomers of magic number Au 561 clusters, the decahedron and face-centred-cubic (fcc) structures, from the equilibrium proportions of the isomers. These are measured by atomic-resolution scanning transmission electron microscopy, with an ultra-stable heating stage, as a function of temperature (125-500 °C). At lower temperatures (20-125 °C) the behaviour is kinetic, exhibiting down conversion of metastable decahedra into fcc structures; the higher state is repopulated at higher temperatures in equilibrium. We find the decahedron is 0.040 ± 0.020 eV higher in energy than the fcc isomer, providing a benchmark for the theoretical treatment of nanoparticles.

  17. Adsorption of butane isomers and SF6 on Kureha activated carbon: 1. Equilibrium.

    Science.gov (United States)

    Zhu, Weidong; Groen, Johan C; Kapteijn, Freek; Moulijn, Jacob A

    2004-06-22

    Adsorption equilibria of butane isomers and SF6 on Kureha activated carbon were investigated using the volumetric method and the tapered element oscillating microbalance (TEOM) technique. The isotherm data of the butane isomers measured by the TEOM technique are in good agreement with those determined by the volumetric method. Single-component adsorption isotherms are reported at temperatures in the range from 298 to 393 K and at pressures up to 120 kPa. SF6 molecules are mainly adsorbed in the larger micropores, resulting in a lower adsorption capacity. The amount adsorbed for n-butane is slightly higher than that for isobutane in the whole range investigated. This is attributed to the fact that the linear n-butane molecule can adsorb in the smaller micropores. The T6th model appropriately describes the equilibrium data of the butane isomers, while the isotherm data of SF6 can be fitted by the Langmuir model. The isosteric heats associated with adsorption for these three adsorptives show different loading dependences. The present study indicates that the activated carbon can be well characterized by the probe molecules having different molecular sizes.

  18. Elucidation of structural isomers from the homogeneous rhodium-catalyzed isomerization of vegetable oils.

    Science.gov (United States)

    Andjelkovic, Dejan D; Min, Byungrok; Ahn, Dong; Larock, Richard C

    2006-12-13

    The structural isomers formed by the homogeneous rhodium-catalyzed isomerization of several vegetable oils have been elucidated. A detailed study of the isomerization of the model compound methyl linoleate has been performed to correlate the distribution of conjugated isomers, the reaction kinetics, and the mechanism of the reaction. It has been shown that [RhCl(C8H8)2]2 is a highly efficient and selective isomerization catalyst for the production of highly conjugated vegetable oils with a high conjugated linoleic acid (CLA) content, which is highly desirable in the food industry. The combined fraction of the two major CLA isomers [(9Z,11E)-CLA and (10E,12Z)-CLA] in the overall CLA mixture is in the range from 76.2% to 93.4%. The high efficiency and selectivity of this isomerization method along with the straightforward purification process render this approach highly promising for the preparation of conjugated oils and CLA. Proposed improvements in catalyst recovery and reusability will only make this method more appealing to the food, paint, coating, and polymer industries in the future.

  19. Infrared Spectroscopy of Two Isomers of the OCS-CS_{2} Complex

    Science.gov (United States)

    Oliaee, J. N.; Dehghany, M.; Afshari, Mahin; Moazzen-Ahmadi, N.; McKellar, A. R. W.

    2009-06-01

    A second isomer of OCS-CS_{2} complex, with a nonplanar cross-shaped structure, has been studied for the first time by analysing an infrared band in the region of the OCS stretching vibration (2062 cm^{-1}). This isomer has C_{s} symmetry and the observed band consists of purely c-type rotational transitions. The ground state rotational parameters are found to be A=0.07306 cm^{-1}, B=0.03325 cm^{-1} and C=0.02879 cm^{-1}, in good agreement with a previous semi-empirical calculation. In addition, a hybrid band with a- and b-type rotational transitions has been assigned to be due to the known planar form of OCS-CS_{2}, as previously studied by microwave spectroscopy. The spectra were recorded using a rapid-scan tunable diode laser spectrometer to probe a pulsed supersonic jet expansion. Calculations indicate that the planar isomer of OCS-CS_{2} is the lowest in energy, in contrast to CO_{2}-CS_{2} where the crossed form is believed to be the lowest. J. J. Newby, M. M. Serafin, R. A. Peebles and S. A. Peebles, Phys. Chem. Chem. Phys. 7, 487 (2005). C. C. Dutton, D. A. Dows, R. Eikey, S. Evans and R. A. Beaudet, J. Phys. Chem. A 102, 6904 (1998).

  20. Decay spectroscopy of 160Sm: The lightest four-quasiparticle K isomer

    Directory of Open Access Journals (Sweden)

    Z. Patel

    2016-02-01

    Full Text Available The decay of a new four-quasiparticle isomeric state in 160Sm has been observed using γ-ray spectroscopy at the RIBF, RIKEN. The four-quasiparticle state is assigned a 2π⊗2ν π52−[532], π52+[413], ν52−[523], ν72+[633] configuration. The half-life of this (11+ state is measured to be 1.8(4 μs. The (11+ isomer decays into a rotational band structure, based on a (6− ν52−[523]⊗ν72+[633] bandhead, consistent with the gK−gR values. This decays to a (5− two-proton quasiparticle state, which in turn decays to the ground state band. Potential energy surface and blocked-BCS calculations were performed in the deformed midshell region around 160Sm. They reveal a significant influence from β6 deformation and that 160Sm is the best candidate for the lightest four-quasiparticle K isomer to exist in this region. The relationship between reduced hindrance and isomer excitation energy for E1 transitions from multiquasiparticle states is considered with the new data from 160Sm. The E1 data are found to agree with the existing relationship for E2 transitions.

  1. Isomer Information from Ion Mobility Separation of High-Mannose Glycan Fragments.

    Science.gov (United States)

    Harvey, David J; Seabright, Gemma E; Vasiljevic, Snezana; Crispin, Max; Struwe, Weston B

    2018-03-05

    Extracted arrival time distributions of negative ion CID-derived fragments produced prior to traveling-wave ion mobility separation were evaluated for their ability to provide structural information on N-linked glycans. Fragmentation of high-mannose glycans released from several glycoproteins, including those from viral sources, provided over 50 fragments, many of which gave unique collisional cross-sections and provided additional information used to assign structural isomers. For example, cross-ring fragments arising from cleavage of the reducing terminal GlcNAc residue on Man 8 GlcNAc 2 isomers have unique collision cross-sections enabling isomers to be differentiated in mixtures. Specific fragment collision cross-sections enabled identification of glycans, the antennae of which terminated in the antigenic α-galactose residue, and ions defining the composition of the 6-antenna of several of the glycans were also found to have different cross-sections from isomeric ions produced in the same spectra. Potential mechanisms for the formation of the various ions are discussed and the estimated collisional cross-sections are tabulated. Graphical Abstract ᅟ.

  2. Serum Metabolic Fingerprinting Identified Putatively Annotated Sphinganine Isomer as a Biomarker of Wolfram Syndrome.

    Science.gov (United States)

    Zmyslowska, Agnieszka; Ciborowski, Michal; Borowiec, Maciej; Fendler, Wojciech; Pietrowska, Karolina; Parfieniuk, Ewa; Antosik, Karolina; Pyziak, Aleksandra; Waszczykowska, Arleta; Kretowski, Adam; Mlynarski, Wojciech

    2017-11-03

    Wolfram syndrome (WFS) is an example of a rare neurodegenerative disease with coexisting endocrine symptoms including diabetes mellitus as the first clinical symptom. Treatment of WFS is still only symptomatic and associated with poor prognosis. Potential markers of disease progression that could be useful for possible intervention trials are not available. Metabolomics has potential to identify such markers. In the present study, serum fingerprinting by LC-QTOF-MS was performed in patients with WFS (n = 13) and in patients with T1D (n = 27). On the basis of the obtained results, aminoheptadecanediol (17:0 sphinganine isomer) (+50%, p = 0.02), as the most discriminatory metabolite, was selected for validation. The 17:0 sphinganine isomer level was determined using the LC-QQQ method in the samples from WFS patients at two time points and compared with samples obtained from patients with T1D (n = 24) and healthy controls (n = 24). Validation analysis showed higher 17:0 sphinganine isomer level in patients with WFS compared to patients with T1D (p = 0.0097) and control group (p < 0.0001) with progressive reduction of its level after two-year follow-up period. Patients with WFS show a unique serum metabolic fingerprint, differentiating them from patients with T1D. Sphinganine derivate seems to be a marker of the ongoing process of neurodegeneration in WFS patients.

  3. Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer

    Science.gov (United States)

    Mosley, J. D.; Young, J. W.; Huang, M.; McCoy, A. B.; Duncan, M. A.

    2015-03-01

    The carbenium ion with nominal formula [C,H4,O]+ is produced from methanol or ethylene glycol in a pulsed-discharge supersonic expansion source. The ion is mass selected, and its infrared spectrum is measured from 2000 to 4000 cm-1 using laser photodissociation spectroscopy and the method of rare gas atom tagging. Computational chemistry predicts two isomers, the methanol and methylene-oxonium cations. Predicted vibrational spectra based on scaled harmonic and reduced dimensional treatments are compared to the experimental spectra. The methanol cation is the only isomer produced when methanol is used as a precursor. When ethylene glycol is used as the precursor, methylene-oxonium is produced in addition to the methanol cation. Theoretical results at the CCSD(T)/cc-pVTZ level show that methylene-oxonium is lower in energy than methanol cation by 6.4 kcal/mol, and is in fact the global minimum isomer on the [C,H4,O]+ potential surface. Methanol cation is trapped behind an isomerization barrier in our source, providing a convenient method to produce and characterize this transient species. Analysis of the spectrum of the methanol cation provides evidence for strong CH stretch vibration/torsion coupling in this molecular ion.

  4. Selectivity of Brij-35 in Micellar Liquid Chromatographic Separation of Positional Isomers

    Directory of Open Access Journals (Sweden)

    Najma Memon

    2012-01-01

    Full Text Available Implementation of Brij-35, a nonionic surfactant, as a mobile phase for separation of positional isomers is investigated. Chromolith C-18 SpeedROD is used as a stationary phase. The effect of surfactant and organic modifier (propanol concentration on the separation of some selected isomers is studied and evaluated in terms of linear solvation energy relationship (LSER. Shape selectivity is assessed by α value of sorbic and benzoic acid, which is found to be 1.339 by using mobile phase composed of 0.5% aqueous solutions of Brij-35 and propanol in 9 : 1. Isomers of parabens, nitroanilines, nitrophenols, and quinolinols are successfully separated using mobile phases composed of various percentages of surfactant and propanol. System constants for nonionic MLC using LSER analysis show that hydrogen bond basicity and dipolarity may be major contributors to selectivity, while excess molar refraction helps fine-tuning the separation which also imparts unique selectivity to nonionic surfactants as compared to ionic ones.

  5. 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.

  6. Time Domain Induced Polarization

    DEFF Research Database (Denmark)

    Fiandaca, Gianluca; Auken, Esben; Christiansen, Anders Vest

    2012-01-01

    Time-domain-induced polarization has significantly broadened its field of reference during the last decade, from mineral exploration to environmental geophysics, e.g., for clay and peat identification and landfill characterization. Though, insufficient modeling tools have hitherto limited the use...... of time-domaininduced polarization for wider purposes. For these reasons, a new forward code and inversion algorithm have been developed using the full-time decay of the induced polarization response, together with an accurate description of the transmitter waveform and of the receiver transfer function......%. Furthermore, the presence of low-pass filters in time-domain-induced polarization instruments affects the early times of the acquired decays (typically up to 100 ms) and has to be modeled in the forward response to avoid significant loss of resolution. The developed forward code has been implemented in a 1D...

  7. Polarized proton colliders

    International Nuclear Information System (INIS)

    Roser, T.

    1995-01-01

    High energy polarized beam collisions will open up the unique physics opportunities of studying spin effects in hard processes. This will allow the study of the spin structure of the proton and also the verification of the many well documented expectations of spin effects in perturbative QCD and parity violation in W and Z production. Proposals for polarized proton acceleration for several high energy colliders have been developed. A partial Siberian Snake in the AGS has recently been successfully tested and full Siberian Snakes, spin rotators, and polarimeters for RHIC are being developed to make the acceleration of polarized beams to 250 GeV possible. This allows for the unique possibility of colliding two 250 GeV polarized proton beams at luminosities of up to 2 x 10 32 cm -2 s -1

  8. Plasma polarization spectroscopy

    International Nuclear Information System (INIS)

    Iwamae, Atsushi; Horimoto, Yasuhiro; Fujimoto, Takashi; Hasegawa, Noboru; Sukegawa, Kouta; Kawachi, Tetsuya

    2005-01-01

    The electron velocity distribution function (EVDF) in plasma can be anisotropic in laser-produced plasmas. We have developed a new technique to evaluate the polarization degree of the emission lines in the extreme vacuum ultra violet wavelength region. The polarization of the emission lines and the continuums from the lithium-like nitrogen and from helium- and hydrogen-like carbon in recombining plasma is evaluated. Particle simulation in the velocity space gives the time scale for relaxation of anisotropic EVDFs. (author)

  9. Ultracold Polar Molecules

    Science.gov (United States)

    2016-04-01

    AFRL-AFOSR-UK-TR-2016-0005 Ultracold Polar Molecules Jeremy Hutson UNIVERSITY OF DURHAM Final Report 04/01/2016 DISTRIBUTION A: Distribution approved...DATES COVERED (From - To) 15-Jan-2010 to 14-Jul-2015 4. TITLE AND SUBTITLE Final Report on Grant FA8655-10-1-3033 on Ultracold Polar Molecules 5a...formation of ultracold 87RbCs molecules in their rovibrational ground state by magnetoassociation followed by STIRAP, resulting in 14 papers acknowledging

  10. Fundamental Issues Related to the Origin of Melatonin and Melatonin Isomers during Evolution: Relation to Their Biological Functions

    Directory of Open Access Journals (Sweden)

    Dun-Xian Tan

    2014-09-01

    Full Text Available Melatonin and melatonin isomers exist and/or coexist in living organisms including yeasts, bacteria and plants. The levels of melatonin isomers are significantly higher than that of melatonin in some plants and in several fermented products such as in wine and bread. Currently, there are no reports documenting the presence of melatonin isomers in vertebrates. From an evolutionary point of view, it is unlikely that melatonin isomers do not exist in vertebrates. On the other hand, large quantities of the microbial flora exist in the gut of the vertebrates. These microorganisms frequently exchange materials with the host. Melatonin isomers, which are produced by these organisms inevitably enter the host’s system. The origins of melatonin and its isomers can be traced back to photosynthetic bacteria and other primitive unicellular organisms. Since some of these bacteria are believed to be the precursors of mitochondria and chloroplasts these cellular organelles may be the primary sites of melatonin production in animals or in plants, respectively. Phylogenic analysis based on its rate-limiting synthetic enzyme, serotonin N-acetyltransferase (SNAT, indicates its multiple origins during evolution. Therefore, it is likely that melatonin and its isomer are also present in the domain of archaea, which perhaps require these molecules to protect them against hostile environments including extremely high or low temperature. Evidence indicates that the initial and primary function of melatonin and its isomers was to serve as the first-line of defence against oxidative stress and all other functions were acquired during evolution either by the process of adoption or by the extension of its antioxidative capacity.

  11. Fundamental Issues Related to the Origin of Melatonin and Melatonin Isomers during Evolution: Relation to Their Biological Functions

    Science.gov (United States)

    Tan, Dun-Xian; Zheng, Xiaodong; Kong, Jin; Manchester, Lucien C.; Hardeland, Ruediger; Kim, Seok Joong; Xu, Xiaoying; Reiter, Russel J.

    2014-01-01

    Melatonin and melatonin isomers exist and/or coexist in living organisms including yeasts, bacteria and plants. The levels of melatonin isomers are significantly higher than that of melatonin in some plants and in several fermented products such as in wine and bread. Currently, there are no reports documenting the presence of melatonin isomers in vertebrates. From an evolutionary point of view, it is unlikely that melatonin isomers do not exist in vertebrates. On the other hand, large quantities of the microbial flora exist in the gut of the vertebrates. These microorganisms frequently exchange materials with the host. Melatonin isomers, which are produced by these organisms inevitably enter the host’s system. The origins of melatonin and its isomers can be traced back to photosynthetic bacteria and other primitive unicellular organisms. Since some of these bacteria are believed to be the precursors of mitochondria and chloroplasts these cellular organelles may be the primary sites of melatonin production in animals or in plants, respectively. Phylogenic analysis based on its rate-limiting synthetic enzyme, serotonin N-acetyltransferase (SNAT), indicates its multiple origins during evolution. Therefore, it is likely that melatonin and its isomer are also present in the domain of archaea, which perhaps require these molecules to protect them against hostile environments including extremely high or low temperature. Evidence indicates that the initial and primary function of melatonin and its isomers was to serve as the first-line of defence against oxidative stress and all other functions were acquired during evolution either by the process of adoption or by the extension of its antioxidative capacity. PMID:25207599

  12. Hsp Polarization Verification

    Science.gov (United States)

    Bless, Robert

    1991-07-01

    This proposal defines the procedure for determining the instrumental polarization of the polarimetric IDT (IDT#1, POL) on the HSP. 1 of 2 unpolarized standard stars wil be observed using various filter-polarizer combinations. These observations will permit the instrumental polarization to be calibrated. The instrumental polarization must be determined to a high precision in order to vectoriallly remove it from HSP polarization observations to determine the actual astronomical polarization. Final run of proposal will look at one of 2 possible stars previously observed to get another look at the throughput. Revision History: Mark H. Slovak 8/30/88 Translated to V2 proposal instructions (RPSS V6.2) S. Laurent 1/20/89 Updated: Sally Laurent 2/24/89, 3/20/89, 4/13/89, 5/12/89 Modified: P. Stanley 1/15/90 - change to use CTA selected targets only; Fixes for aberration problem - SALM 7/30/90; Based on SV/HSP 1386. New submission changed targets and revised scheduling strategy. Revised: 26 Aug 92 J. Dolan, L. Walter, P. Reppert want to re-run the proposal (3985) one last time to bring down errors.

  13. Atmospheric pressure chemical ionization studies of non-polar isomeric hydrocarbons using ion mobility spectrometry and mass spectrometry with different ionization techniques

    Science.gov (United States)

    Borsdorf, H.; Nazarov, E. G.; Eiceman, G. A.

    2002-01-01

    The ionization pathways were determined for sets of isomeric non-polar hydrocarbons (structural isomers, cis/trans isomers) using ion mobility spectrometry and mass spectrometry with different techniques of atmospheric pressure chemical ionization to assess the influence of structural features on ion formation. Depending on the structural features, different ions were observed using mass spectrometry. Unsaturated hydrocarbons formed mostly [M - 1]+ and [(M - 1)2H]+ ions while mainly [M - 3]+ and [(M - 3)H2O]+ ions were found for saturated cis/trans isomers using photoionization and 63Ni ionization. These ionization methods and corona discharge ionization were used for ion mobility measurements of these compounds. Different ions were detected for compounds with different structural features. 63Ni ionization and photoionization provide comparable ions for every set of isomers. The product ions formed can be clearly attributed to the structures identified. However, differences in relative abundance of product ions were found. Although corona discharge ionization permits the most sensitive detection of non-polar hydrocarbons, the spectra detected are complex and differ from those obtained with 63Ni ionization and photoionization. c. 2002 American Society for Mass Spectrometry.

  14. Lifetime and g-factor of a new isomer in 130 La

    International Nuclear Information System (INIS)

    Ionescu-Bujor, M.; Iordachescu, A.; Brandolini, F.; Pavan, P.; Rossi Alvarez, C.; De Poli, M.; Medina, N.H.; Rao, M.N.

    1999-01-01

    Pulsed-beam measurements have been recently performed at the XTU-tandem of the National Laboratory of Legnaro with the aim to investigate short-lived isomeric states in neutron-deficient nuclei of the A∼130 region. Isotopically enriched tin targets were irradiated with a 70 MeV 16 O beam (pulse width of 3 ns at a repetition rate of 800 ns) and the γ-ray angular distributions perturbed in magnetic or electric interaction were observed time-differentially. Static electromagnetic moments were thus determined for several known short-lived isomers in 129,130,131 Ce and 129 Ba. In these experiments a new isomeric decay has been also identified and its properties are reported in the present work. The isomer has been observed on a target containing 116 Sn (87%), 117 Sn (8%) and 118 Sn (5%). The tin target of 0.6 mg/cm 2 thickness evaporated on a Pb foil was placed in an external magnetic field of 32 kG whose orientation was periodically reversed. Two planar HPGe detectors positioned at ±135 deg. with respect to the beam direction were used for the γ-ray detection. In the delayed spectra a γ-ray of 105.2 keV has been observed and a half-life of 32(5)ns has been determined for it. The experimental and calculated R(t) modulation ratios of the 105.2 keV γ-ray in the external magnetic field are given. From the derived Larmor frequency a value g = + 0.48(3) has been determined for the isomeric state g-factor. A dipole character has been established for the delayed 105.2 keV γ-transition based on the determined negative A 2 coefficient. The new isomer was tentatively assigned to the odd-odd 130 La populated in the 116,117,118 Sn ( 16 O,pxn) reaction. In this nucleus a state at (150.3 + x) keV de-excited by a 105.2 keV transition is known and it was identified with the isomer. Further experiments are in progress for the definite assignment and the elucidation of the isomer configuration. (authors)

  15. The spectroscopy and photochemistry of quinioline structural isomers: (E)- and (Z)-phenylvinylnitrile

    Energy Technology Data Exchange (ETDEWEB)

    Mehta-Hurt, Deepali N.; Korn, Joseph A.; Navotnaya, Polina; Parobek, Alexander P.; Clayton, Rachel M.; Zwier, Timothy S., E-mail: zwier@purdue.edu [Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana 47907-2084 (United States)

    2015-08-21

    In Titan’s atmosphere, photochemical pathways that lead to nitrogen heteroaromatics may incorporate photoisomerization of their structural isomers as a final step. (E)- and (Z)-phenylvinylnitrile ((E)- and (Z)-PVN, C{sub 6}H{sub 5} —CH=CHCN) are structural isomers of quinoline that themselves possess extensive absorptions in the ultraviolet, and thus may engage in such photoisomerization pathways. The present study explores the vibronic spectroscopy and photo-induced isomerization of gas-phase (E)- and (Z)-PVN in the 33,600-35,850 cm{sup −1} region under jet-cooled conditions. The S{sub 0}-S{sub 1} origins for (E)- and (Z)-PVN have been identified at 33 827 cm{sup −1} and 33 707 cm{sup −1}, respectively. Isomer-specific UV-UV hole-burning and UV depletion spectra reveal sharp vibronic structure that extends over almost 2000 cm{sup −1}, with thresholds for fast non-radiative decay identified by a comparison between hole-burning and UV depletion spectra. Dispersed fluorescence spectra of the two isomers enable the assignment of many low frequency transitions in both molecules, aided by harmonic frequency calculations (B3LYP/6-311++G(d,p)) and a comparison with the established spectroscopy of phenylvinylacetylene, the ethynyl counterpart to PVN. Both isomers are proven to be planar in both the S{sub 0} ground and S{sub 1} electronic excited states. (E)-PVN exhibits extensive Duschinsky mixing involving out-of-plane modes whose frequencies and character change significantly in the ππ{sup ∗} transition, which modulates the degree of single- and double-bond character along the vinylnitrile substituent. This same mixing is much less evident in (Z)-PVN. The spectroscopic characterization of (E)- and (Z)-PVN served as the basis for photoisomerization experiments using ultraviolet hole-filling spectroscopy carried out in a reaction tube affixed to the pulsed valve. Successful interconversion between (E) and (Z)-PVN was demonstrated via ultraviolet hole

  16. Polarized Light Microscopy

    Science.gov (United States)

    Frandsen, Athela F.

    2016-01-01

    Polarized light microscopy (PLM) is a technique which employs the use of polarizing filters to obtain substantial optical property information about the material which is being observed. This information can be combined with other microscopy techniques to confirm or elucidate the identity of an unknown material, determine whether a particular contaminant is present (as with asbestos analysis), or to provide important information that can be used to refine a manufacturing or chemical process. PLM was the major microscopy technique in use for identification of materials for nearly a century since its introduction in 1834 by William Fox Talbot, as other techniques such as SEM (Scanning Electron Microscopy), FTIR (Fourier Transform Infrared spectroscopy), XPD (X-ray Powder Diffraction), and TEM (Transmission Electron Microscopy) had not yet been developed. Today, it is still the only technique approved by the Environmental Protection Agency (EPA) for asbestos analysis, and is often the technique first applied for identification of unknown materials. PLM uses different configurations in order to determine different material properties. With each configuration additional clues can be gathered, leading to a conclusion of material identity. With no polarizing filter, the microscope can be used just as a stereo optical microscope, and view qualities such as morphology, size, and number of phases. With a single polarizing filter (single polars), additional properties can be established, such as pleochroism, individual refractive indices, and dispersion staining. With two polarizing filters (crossed polars), even more can be deduced: isotropy vs. anisotropy, extinction angle, birefringence/degree of birefringence, sign of elongation, and anomalous polarization colors, among others. With the use of PLM many of these properties can be determined in a matter of seconds, even for those who are not highly trained. McCrone, a leader in the field of polarized light microscopy, often

  17. The evolution of tensor polarization

    International Nuclear Information System (INIS)

    Huang, H.; Lee, S.Y.; Ratner, L.

    1993-01-01

    By using the equation of motion for the vector polarization, the spin transfer matrix for spin tensor polarization, the spin transfer matrix for spin tensor polarization is derived. The evolution equation for the tensor polarization is studied in the presence of an isolate spin resonance and in the presence of a spin rotor, or snake

  18. Polarized Electrons at Jefferson Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Sinclair, C.K.

    1997-12-31

    The CEBAF accelerator at Jefferson laboratory can deliver CW electron beams to three experimental halls simultaneously. A large fraction of the approved scientific program at the lab requires polarized electron beams. Many of these experiments, both polarized and unpolarized, require high average beam current as well. Since all electrons delivered to the experimental halls originate from the same cathode, delivery of polarized beam to a single hall requires using the polarized source to deliver beam to all experiments in simultaneous operation. The polarized source effort at Jefferson Lab is directed at obtaining very long polarized source operational lifetimes at high average current and beam polarization; at developing the capability to deliver all electrons leaving the polarized source to the experimental halls; and at delivering polarized beam to multiple experimental halls simultaneously.initial operational experience with the polarized source will be presented.

  19. Polarized electrons at Jefferson laboratory

    International Nuclear Information System (INIS)

    The CEBAF accelerator at Jefferson laboratory can deliver CW electron beams to three experimental halls simultaneously. A large fraction of the approved scientific program at the lab requires polarized electron beams. Many of these experiments, both polarized and unpolarized, require high average beam current as well. Since all electrons delivered to the experimental halls originate from the same cathode, delivery of polarized beam to a single hall requires using the polarized source to deliver beam to all experiments in simultaneous operation. The polarized source effort at Jefferson Lab is directed at obtaining very long polarized source operational lifetimes at high average current and beam polarization; at developing the capability to deliver all electrons leaving the polarized source to the experimental halls; and at delivering polarized beam to multiple experimental halls simultaneously. Initial operational experience with the polarized source will be presented

  20. Delta- and gamma-tocotrienol isomers are potent in inhibiting inflammation and endothelial activation in stimulated human endothelial cells

    Directory of Open Access Journals (Sweden)

    Suhaila Muid

    2016-07-01

    Full Text Available Background: Tocotrienols (TCTs are more potent antioxidants than α-tocopherol (TOC. However, the effectiveness and mechanism of the action of TCT isomers as anti-atherosclerotic agents in stimulated human endothelial cells under inflammatory conditions are not well established. Aims: 1 To compare the effects of different TCT isomers on inflammation, endothelial activation, and endothelial nitric oxide synthase (eNOS. 2 To identify the two most potent TCT isomers in stimulated human endothelial cells. 3 To investigate the effects of TCT isomers on NFκB activation, and protein and gene expression levels in stimulated human endothelial cells. Methods: Human umbilical vein endothelial cells were incubated with various concentrations of TCT isomers or α-TOC (0.3–10 µM, together with lipopolysaccharides for 16 h. Supernatant cells were collected and measured for protein and gene expression of cytokines (interleukin-6, or IL-6; tumor necrosis factor-alpha, or TNF-α, adhesion molecules (intercellular cell adhesion molecule-1, or ICAM-1; vascular cell adhesion molecule-1, or VCAM-1; and e-selectin, eNOS, and NFκB. Results: δ-TCT is the most potent TCT isomer in the inhibition of IL-6, ICAM-1, VCAM-1, and NFκB, and it is the second potent in inhibiting e-selectin and eNOS. γ-TCT isomer is the most potent isomer in inhibiting e-selectin and eNOS, and it is the second most potent in inhibiting is IL-6, VCAM-1, and NFκB. For ICAM-1 protein expression, the most potent is δ-TCT followed by α-TCT. α- and β-TCT inhibit IL-6 at the highest concentration (10 µM but enhance IL-6 at lower concentrations. γ-TCT markedly increases eNOS expression by 8–11-fold at higher concentrations (5–10 µM but exhibits neutral effects at lower concentrations. Conclusion: δ- and γ-TCT are the two most potent TCT isomers in terms of the inhibition of inflammation and endothelial activation whilst enhancing eNOS, possibly mediated via the NFκB pathway. Hence

  1. Polar low monitoring

    Science.gov (United States)

    Bobylev, Leonid; Zabolotskikh, Elizaveta; Mitnik, Leonid

    2010-05-01

    Polar lows are intense mesoscale atmospheric low pressure weather systems, developing poleward of the main baroclinic zone and associated with high surface wind speeds. Small size and short lifetime, sparse in-situ observations in the regions of their development complicate polar low study. Our knowledge of polar lows and mesocyclones has come almost entirely during the period of satellite remote sensing since, by virtue of their small horizontal scale, it was rarely possible to analyse these lows on conventional weather charts using only the data from the synoptic observing network. However, the effects of intense polar lows have been felt by coastal communities and seafarers since the earliest times. These weather systems are thought to be responsible for the loss of many small vessels over the centuries, although the nature of the storms was not understood and their arrival could not be predicted. The actuality of the polar low research is stipulated by their high destructive power: they are a threat to such businesses as oil and gas exploration, fisheries and shipping. They could worsen because of global warming: a shrinking of sea ice around the North Pole, which thawed to its record minimum in the summer of 2007, is likely to give rise to more powerful storms that form only over open water and can cause hurricane-strength winds. Therefore, study of polar lows, their timely detection, tracking and forecasting represents a challenge for today meteorology. Satellite passive microwave data, starting from Special Sensor Microwave Imager (SSM/I) onboard Defense Meteorological Satellite Program (DMSP) satellite, remain invaluable source of regularly available remotely sensed data to study polar lows. The sounding in this spectral range has several advantages in comparison with observations in visible and infrared ranges and Synthetic Aperture Radar (SAR) data: independence on day time and clouds, regularity and high temporal resolution in Polar Regions. Satellite

  2. Polarized protons at RHIC

    International Nuclear Information System (INIS)

    Tannenbaum, M.J.

    1990-12-01

    The Physics case is presented for the use of polarized protons at RHIC for one or two months each year. This would provide a facility with polarizations of approx-gt 50% high luminosity ∼2.0 x 10 32 cm -2 s -1 , the possibility of both longitudinal and transverse polarization at the interaction regions, and frequent polarization reversal for control of systematic errors. The annual integrated luminosity for such running (∼10 6 sec per year) would be ∫ Ldt = 2 x 10 38 cm -2 -- roughly 20 times the total luminosity integrated in ∼ 10 years of operation of the CERN Collider (∼10 inverse picobarns, 10 37 cm -2 ). This facility would be unique in the ability to perform parity-violating measurements and polarization test of QCD. Also, the existence of p-p collisions in a new energy range would permit the study of ''classical'' reactions like the total cross section and elastic scattering, etc., and serve as a complement to measurements from p-bar p colliders. 11 refs

  3. The Bochum Polarized Target

    International Nuclear Information System (INIS)

    Reicherz, G.; Goertz, S.; Harmsen, J.; Heckmann, J.; Meier, A.; Meyer, W.; Radtke, E.

    2001-01-01

    The Bochum 'Polarized Target' group develops the target material 6 LiD for the COMPASS experiment at CERN. Several different materials like alcohols, alcanes and ammonia are under investigation. Solid State Targets are polarized in magnetic fields higher than B=2.5T and at temperatures below T=1K. For the Dynamic Nuclear Polarization process, paramagnetic centers are induced chemically or by irradiation with ionizing beams. The radical density is a critical factor for optimization of polarization and relaxation times at adequate magnetic fields and temperatures. In a high sensitive EPR--apparatus, an evaporator and a dilution cryostat with a continuous wave NMR--system, the materials are investigated and optimized. To improve the polarization measurement, the Liverpool NMR-box is modified by exchanging the fixed capacitor for a varicap diode which not only makes the tuning very easy but also provides a continuously tuned circuit. The dependence of the signal area upon the circuit current is measured and it is shown that it follows a linear function

  4. In-line Fiber Polarizer

    OpenAIRE

    Perumalsamy, Priya

    1998-01-01

    Polarizers and polarization devices are important components in fiber optic communication and sensor systems. There is a growing need for efficient low loss components that are compatible with optical fibers. An all fiber in-line polarizer is a more desirable alternative that could be placed at appropriate intervals along communication links. An in-line fiber polarizer was fabricated and tested. The in-line fiber polarizer operates by coupling optical energy propagatin...

  5. Political Competition and Polarization

    DEFF Research Database (Denmark)

    Schultz, Christian

    This paper considers political competition and the consequences of political polarization when parties are better informed about how the economy functions than voters are. Specifically, parties know the cost producing a public good, voters do not. An incumbent's choice of policy acts like a signa...... for costs before an upcoming election. It is shown that the more polarized the political parties the more distorted the incumbent's policy choice.......This paper considers political competition and the consequences of political polarization when parties are better informed about how the economy functions than voters are. Specifically, parties know the cost producing a public good, voters do not. An incumbent's choice of policy acts like a signal...

  6. Physics of polarized targets

    CERN Document Server

    Niinikoski, Tapio

    2014-01-01

    For developing, building and operating solid polarized targets we need to understand several fields of physics that have seen sub stantial advances during the last 50 years. W e shall briefly review a selection of those that are important today. These are: 1) quantum statistical methods to describe saturation and relaxation in magnetic resonance; 2) equal spin temperature model for dy namic nuclear polarization; 3 ) weak saturation during NMR polarization measurement; 4 ) refrigeration using the quantum fluid properties of helium isotopes. These, combined with superconducting magnet technologies, permit today to reach nearly complete pola rization of almost any nuclear spins. Targets can be operated in frozen spin mode in rather low and inhomogeneous field of any orientation, and in DNP mode in beams of high intensity. Beyond such experiments of nuclear and particle physics, applications a re also emerging in macromolecular chemistry and in magnetic resonance imaging. This talk is a tribute to Michel Borghini...

  7. No More Polarization, Please!

    DEFF Research Database (Denmark)

    Hansen, Mia Reinholt

    The organizational science literature on motivation has for long been polarized into two main positions; the organizational economic position focusing on extrinsic motivation and the organizational behavior position emphasizing intrinsic motivation. With the rise of the knowledge economy...... and the increasing levels of complexities it entails, such polarization is not fruitful in the attempt to explain motivation of organizational members. This paper claims that a more nuanced perspective on motivation, acknowledging the co-existence of intrinsic and extrinsic motivation, the possible interaction...... between the two as well as different types of motivations filling in the gap between the two polar types, is urgently needed in the organizational science literature. By drawing on the research on intrinsic and extrinsic motivation conducted in social psychology and combining this with contributions from...

  8. Polarized source upgrading

    International Nuclear Information System (INIS)

    Clegg, T.B.; Rummel, R.L.; Carter, E.P.; Westerfeldt, C.R.; Lovette, A.W.; Edwards, S.E.

    1985-01-01

    The decision was made this past year to move the Lamb-shift polarized ion source which was first installed in the laboratory in 1970. The motivation was the need to improve the flexibility of spin-axis orientation by installing the ion source with a new Wien-filter spin precessor which is capable of rotating physically about the beam axis. The move of the polarized source was accomplished in approximately two months, with the accelerator being turned off for experiments during approximately four weeks of this time. The occasion of the move provided the opportunity to rewire completely the entire polarized ion source frame and to rebuild approximately half of the electronic chassis on the source. The result is an ion source which is now logically wired and carefully documented. Beams obtained from the source are much more stable than those previously available

  9. A lunar polar expedition

    Science.gov (United States)

    Dowling, Richard; Staehle, Robert L.; Svitek, Tomas

    1992-09-01

    Advanced exploration and development in harsh environments require mastery of basic human survival skill. Expeditions into the lethal climates of Earth's polar regions offer useful lessons for tommorrow's lunar pioneers. In Arctic and Antarctic exploration, 'wintering over' was a crucial milestone. The ability to establish a supply base and survive months of polar cold and darkness made extensive travel and exploration possible. Because of the possibility of near-constant solar illumination, the lunar polar regions, unlike Earth's may offer the most hospitable site for habitation. The World Space Foundation is examining a scenario for establishing a five-person expeditionary team on the lunar north pole for one year. This paper is a status report on a point design addressing site selection, transportation, power, and life support requirements.

  10. POLARIZED NEUTRONS IN RHIC

    Energy Technology Data Exchange (ETDEWEB)

    COURANT,E.D.

    1998-04-27

    There does not appear to be any obvious way to accelerate neutrons, polarized or otherwise, to high energies by themselves. To investigate the behavior of polarized neutrons the authors therefore have to obtain them by accelerating them as components of heavier nuclei, and then sorting out the contribution of the neutrons in the analysis of the reactions produced by the heavy ion beams. The best neutron carriers for this purpose are probably {sup 3}He nuclei and deuterons. A polarized deuteron is primarily a combination of a proton and a neutron with their spins pointing in the same direction; in the {sup 3}He nucleus the spins of the two protons are opposite and the net spin (and magnetic moment) is almost the same as that of a free neutron. Polarized ions other than protons may be accelerated, stored and collided in a ring such as RHIC provided the techniques proposed for polarized proton operation can be adapted (or replaced by other strategies) for these ions. To accelerate polarized particles in a ring, one must make provisions for overcoming the depolarizing resonances that occur at certain energies. These resonances arise when the spin tune (ratio of spin precession frequency to orbit frequency) resonates with a component present in the horizontal field. The horizontal field oscillates with the vertical motion of the particles (due to vertical focusing); its frequency spectrum is dominated by the vertical oscillation frequency and its modulation by the periodic structure of the accelerator ring. In addition, the magnet imperfections that distort the closed orbit vertically contain all integral Fourier harmonics of the orbit frequency.

  11. Tamoxifen Isomers and Metabolites Exhibit Distinct Affinity and Activity at Cannabinoid Receptors: Potential Scaffold for Drug Development.

    Science.gov (United States)

    Ford, Benjamin M; Franks, Lirit N; Radominska-Pandya, Anna; Prather, Paul L

    2016-01-01

    Tamoxifen (Tam) is a selective estrogen receptor (ER) modulator (SERM) that is an essential drug to treat ER-positive breast cancer. Aside from known actions at ERs, recent studies have suggested that some SERMs like Tam also exhibit novel activity at cannabinoid subtype 1 and 2 receptors (CB1R and CB2Rs). Interestingly, cis- (E-Tam) and trans- (Z-Tam) isomers of Tam exhibit over a 100-fold difference in affinity for ERs. Therefore, the current study assessed individual isomers of Tam and subsequent cytochrome P450 metabolic products, 4-hydroxytamoxifen (4OHT) and 4-hydroxy-N-desmethyl tamoxifen (End) for affinity and activity at CBRs. Results showed that Z-4OHT, but not Z-Tam or Z-End, exhibits higher affinity for both CB1 and CB2Rs relative to the E-isomer. Furthermore, Z- and E-isomers of Tam and 4OHT show slightly higher affinity for CB2Rs, while both End isomers are relatively CB1R-selective. When functional activity was assessed by G-protein activation and regulation of the downstream effector adenylyl cyclase, all isomers examined act as full CB1 and CB2R inverse agonists. Interestingly, Z-Tam appears to be more efficacious than the full inverse agonist AM630 at CB2Rs, while both Z-Tam and Z-End exhibit characteristics of insurmountable antagonism at CB1 and CB2Rs, respectively. Collectively, these results suggest that the SERMs Tam, 4OHT and End elicit ER-independent actions via CBRs in an isomer-specific manner. As such, this novel structural scaffold might be used to develop therapeutically useful drugs for treatment of a variety of diseases mediated via CBRs.

  12. Tamoxifen Isomers and Metabolites Exhibit Distinct Affinity and Activity at Cannabinoid Receptors: Potential Scaffold for Drug Development.

    Directory of Open Access Journals (Sweden)

    Benjamin M Ford

    Full Text Available Tamoxifen (Tam is a selective estrogen receptor (ER modulator (SERM that is an essential drug to treat ER-positive breast cancer. Aside from known actions at ERs, recent studies have suggested that some SERMs like Tam also exhibit novel activity at cannabinoid subtype 1 and 2 receptors (CB1R and CB2Rs. Interestingly, cis- (E-Tam and trans- (Z-Tam isomers of Tam exhibit over a 100-fold difference in affinity for ERs. Therefore, the current study assessed individual isomers of Tam and subsequent cytochrome P450 metabolic products, 4-hydroxytamoxifen (4OHT and 4-hydroxy-N-desmethyl tamoxifen (End for affinity and activity at CBRs. Results showed that Z-4OHT, but not Z-Tam or Z-End, exhibits higher affinity for both CB1 and CB2Rs relative to the E-isomer. Furthermore, Z- and E-isomers of Tam and 4OHT show slightly higher affinity for CB2Rs, while both End isomers are relatively CB1R-selective. When functional activity was assessed by G-protein activation and regulation of the downstream effector adenylyl cyclase, all isomers examined act as full CB1 and CB2R inverse agonists. Interestingly, Z-Tam appears to be more efficacious than the full inverse agonist AM630 at CB2Rs, while both Z-Tam and Z-End exhibit characteristics of insurmountable antagonism at CB1 and CB2Rs, respectively. Collectively, these results suggest that the SERMs Tam, 4OHT and End elicit ER-independent actions via CBRs in an isomer-specific manner. As such, this novel structural scaffold might be used to develop therapeutically useful drugs for treatment of a variety of diseases mediated via CBRs.

  13. Dark Polar Dunes

    Science.gov (United States)

    2005-01-01

    20 January 2004 This Mars Global Surveyor (MGS) Mars Orbiter Camera (MOC) image, acquired during northern summer in December 2004, shows dark, windblown sand dunes in the north polar region of Mars. A vast sea of sand dunes nearly surrounds the north polar cap. These landforms are located near 80.3oN, 144.1oW. Light-toned features in the image are exposures of the substrate that underlies the dune field. The image covers an area about 3 km (1.9 mi) wide and is illuminated by sunlight from the lower left.

  14. 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.

  15. The polar mesosphere

    International Nuclear Information System (INIS)

    Morris, Ray; Murphy, Damian

    2008-01-01

    The mesosphere region, which lies at the edge of space, contains the coldest layer of the Earth's atmosphere, with summer temperatures as low as minus 130 °C. In this extreme environment ice aerosol layers have appeared since the dawn of industrialization—whose existence may arguably be linked to human influence—on yet another layer of the Earth's fragile atmosphere. Ground-based and space-based experiments conducted in the Arctic and Antarctic during the International Polar Year (IPY) aim to address limitations in our knowledge and to advance our understanding of thermal and dynamical processes at play in the polar mesosphere

  16. Internal polarized targets

    Energy Technology Data Exchange (ETDEWEB)

    Kinney, E.R.; Coulter, K.; Gilman, R.; Holt, R.J.; Kowalczyk, R.S.; Napolitano, J.; Potterveld, D.H.; Young, L. (Argonne National Lab., IL (USA)); Mishnev, S.I.; Nikolenko, D.M.; Popov, S.G.; Rachek, I.A.; Temnykh, A.B.; Toporkov, D.K.; Tsentalovich, E.P.; Wojtsekhowski, B.B. (AN SSSR, Novosibirsk (USSR). Inst. Yadernoj Fiziki)

    1989-01-01

    Internal polarized targets offer a number of advantages over external targets. After a brief review of the basic motivation and principles behind internal polarized targets, the technical aspects of the atomic storage cell will be discussed in particular. Sources of depolarization and the means by which their effects can be ameliorated will be described, especially depolarization by the intense magnetic fields arising from the circulating particle beam. The experience of the Argonne Novosibirsk collaboration with the use of a storage cell in a 2 GeV electron storage ring will be the focus of this technical discussion. 17 refs., 11 figs.

  17. AGS polarized H- source

    International Nuclear Information System (INIS)

    Kponou, A.; Alessi, J.G.; Sluyters, T.

    1985-01-01

    The AGS polarized H - source is now operational. During a month-long experimental physics run in July 1984, pulses equivalent to 15 μA x 300 μs (approx. 3 x 10 10 protons) were injected into the RFQ preaccelerator. Beam polarization, measured at 200 MeV, was approx. 75%. After the run, a program to increase the H - yield of the source was begun and significant progress has been made. The H - current is now frequently 20 to 30 μA. A description of the source and some details of our operating experience are given. We also briefly describe the improvement program

  18. Occurrence, fluxes and sources of perfluoroalkyl substances with isomer analysis in the snow of northern China

    Energy Technology Data Exchange (ETDEWEB)

    Shan, Guoqiang; Chen, Xinwei; Zhu, Lingyan, E-mail: zhuly@nankai.edu.cn

    2015-12-15

    Highlights: • Relatively high levels of PFASs were present in the snow in northern China in 2013. • Particulate bound PFASs contributed 21.5–56.2% to the total PFASs in snow. • Particulate matters are vital for PFASs transport and deposition in urban atmosphere. • Partitioning of PFASs between particulate and dissolved phase was related to carbon chain length. • Isomer profiles in snow suggested that airborne PFASs were mainly from direct release. - Abstract: In this study, perfluoroalkyl substances (PFASs) and the isomers of perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS) were analyzed in fresh snow samples collected from 19 cities in northern China, 2013. The levels of total PFASs in the snow samples were 33.5–229 ng/L, suggesting heavy atmospheric pollution of PFASs in northern China. PFOA (9.08–107 ng/L), PFOS (3.52–54.3 ng/L), perfluoroheptanoate (PFHpA) (3.66–44.8 ng/L), and perfluorohexanoate (PFHxA) (3.21–23.6 ng/L) were predominant with a summed contribution of 82% to the total PFASs. The particulate matters (PMs) associated PFASs contributed 21.5–56.2% to the total PFASs in the snow, suggesting PMs are vital for the transport and deposition of airborne PFASs. Partitioning of PFASs between PM and dissolved phases was dependent on the carbon chain length and end functional groups. Isomer profiles of PFOA and PFOS in the snow were in agreement with the signature of the historical 3 M electrochemical fluorination (ECF) products, suggesting that the ECF products were still produced and used in China. Further source analysis showed that the airborne PFASs in urban area were mainly due to direct release rather than degradation of their precursors.

  19. Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers

    Science.gov (United States)

    Fortenberry, Ryan C.; Thackston, Russell; Francisco, Joseph S.; Lee, Timothy J.

    2017-08-01

    The NS2 radical is a simple arrangement of atoms with a complex electronic structure. This molecule was first reported by Hassanzadeh and Andrew's group [J. Am. Chem. Soc. 114, 83 (1992)] through Ar matrix isolation experiments. In the quarter century since this seminal work was published, almost nothing has been reported about nitrogen disulfide even though NS2 is isovalent with the common NO2. The present study aims to shed new insight into possible challenges with the characterization of this radical. No less than three potential energy surfaces all intersect in the C2v region of the SNS radical isomer. A type-C Renner-Teller molecule is present for the linear 2Πu state where the potential energy surface is fully contained within the 2.05 kcal/mol lower energy X ˜ 2A1 state. A C2v, 1 2B1 state is present in this same region, but a double excitation is required to access this state from the X ˜ 2A1 state of SNS. Additionally, a 1 2A' NSS isomer is also present but with notable differences in the geometry from the global minimum. Consequently, the rovibronic spectrum of these NS2 isomers is quite complicated. While the present theory and previous Ar matrix experiments agree well on isotopic shifts, they differ notably for the absolute fundamental vibrational frequency transitions. These differences are likely a combination of matrix shifts and issues associated with the neglect of non-adiabatic coupling in the computations. In either case, it is clear that high-resolution gas phase experimental observations will be complicated to sort. The present computations should aid in their analysis.

  20. Feeding of the 1 1/2- isomers in stable Ir and Au isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Fotiadis, Nikolaos [Los Alamos National Laboratory; Nelson, Ronald O [Los Alamos National Laboratory; Devlin, Matthew [Los Alamos National Laboratory; Holloway, Shannon T [Los Alamos National Laboratory; Kawano, Toshihiko [Los Alamos National Laboratory; Talou, Patrick [Los Alamos National Laboratory; Chadwick, Mark B [Los Alamos National Laboratory; Becker, John A [LLNL; Garrett, Paul E [U GUELPH, CANADA

    2008-01-01

    Excited states were studied and absolute partial {gamma}-ray cross sections were measured using the ({eta}, {eta}'{gamma}) reaction in {sup 191}Ir, {sup 193}Ir and {sup 197}Au. A Compton-suppressed germanium-detector array (GEANIE) for {gamma}-ray spectroscopy and the broad-spectrum pulsed neutron source of the Los Alamos Neutron Science Center's WNR facility were used for the measurement. The energy of the incident neutrons was determined using the time-of-flight technique. Absolute partial {gamma}-ray cross sections were measured up to incident neutron energy of 20 MeV for several transitions feeding directly the 1 1/2- isomers and ground states in {sup 191}Ir, {sup 193}Ir and {sup 197}Au. The feeding of the 1 1/2- isomers, which originate from the odd proton occupying the h{sub 1 1/2} orbital, was found for the three targets to be very similar and increasing relative to the feeding of the corresponding ground state with increasing neutron energy up to E{sub n} {approx} 10 MeV. Above this neutron energy the opening of the (n, 2{sub n}) reaction channel strongly affects the population of the isomers and leads to a decrease of their relative population compared to the population of the ground states. The experimental results are compared with theoretical predictions from the GNASH reaction model calculation implementing a version of the spin distribution for the pre-equilibrium reaction piece with either a compound nucleus spin distribution (CN-GNASH) or a Feshbach-Kerman-Koonin (FKK-GNASH) quantum mechanical spin distribution. The effects of the spin cutoff parameter values on the population of states are examined. Evidence is presented that FKK-GNASH provides a description of the experimental data that mitigates the need for adjustment of the level density parameter to fit the data.

  1. In vitro neurotoxic hazard characterization of different tricresyl phosphate (TCP) isomers and mixtures.

    Science.gov (United States)

    Duarte, Daniel J; Rutten, Joost M M; van den Berg, Martin; Westerink, Remco H S

    2017-03-01

    Exposure to tricresyl phosphates (TCPs), via for example contaminated cabin air, has been associated with health effects including the so-called aerotoxic syndrome. While TCP neurotoxicity is mainly attributed to ortho-isomers like tri-ortho-cresyl phosphate (ToCP), recent exposure and risk assessments indicate that ToCP levels in cabin air are very low. However, the neurotoxic potential of non-ortho TCP isomers and TCP mixtures is largely unknown. We therefore measured effects of exposure (up to 48h) to different TCP isomers, mixtures and the metabolite of ToCP (CBDP: cresyl saligenin phosphate) on cell viability and mitochondrial activity, spontaneous neuronal electrical activity, and neurite outgrowth in primary rat cortical neurons. The results demonstrate that exposure to TCPs (24-48h, up to 10μM) increases mitochondrial activity, without affecting cell viability. Effects of acute TCP exposure (30min) on neuronal electrical activity are limited. However, electrical activity is markedly decreased for the majority of TCPs (10μM) following 48h exposure. Additional preliminary data indicate that exposure to TCPs (48h, 10μM) did not affect the number of neurites per cell or average neurite length, except for TmCP and the analytical TCP mixture (Sigma) that induced a reduction of average neurite length. The combined neurotoxicity data demonstrate that the different TCPs, including ToCP, are roughly equipotent and a clear structure-activity relation is not apparent for the studied endpoints. The no-observed-effect-concentrations (1μM) are well above current exposure levels indicating limited neurotoxic health risk, although exposures may have been higher in the past. Moreover, prolonged and/or repeated exposure to TCPs may exacerbate the observed neurotoxic effects, which argues for additional research. Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers.

    Science.gov (United States)

    Fortenberry, Ryan C; Thackston, Russell; Francisco, Joseph S; Lee, Timothy J

    2017-08-21

    The NS 2 radical is a simple arrangement of atoms with a complex electronic structure. This molecule was first reported by Hassanzadeh and Andrew's group [J. Am. Chem. Soc. 114, 83 (1992)] through Ar matrix isolation experiments. In the quarter century since this seminal work was published, almost nothing has been reported about nitrogen disulfide even though NS 2 is isovalent with the common NO 2 . The present study aims to shed new insight into possible challenges with the characterization of this radical. No less than three potential energy surfaces all intersect in the C 2 v region of the SNS radical isomer. A type-C Renner-Teller molecule is present for the linear 2 Π u state where the potential energy surface is fully contained within the 2.05 kcal/mol lower energy X̃  2 A 1 state. A C 2 v , 1  2 B 1 state is present in this same region, but a double excitation is required to access this state from the X̃  2 A 1 state of SNS. Additionally, a 1  2 A ' NSS isomer is also present but with notable differences in the geometry from the global minimum. Consequently, the rovibronic spectrum of these NS 2 isomers is quite complicated. While the present theory and previous Ar matrix experiments agree well on isotopic shifts, they differ notably for the absolute fundamental vibrational frequency transitions. These differences are likely a combination of matrix shifts and issues associated with the neglect of non-adiabatic coupling in the computations. In either case, it is clear that high-resolution gas phase experimental observations will be complicated to sort. The present computations should aid in their analysis.

  3. Occurrence, fluxes and sources of perfluoroalkyl substances with isomer analysis in the snow of northern China

    International Nuclear Information System (INIS)

    Shan, Guoqiang; Chen, Xinwei; Zhu, Lingyan

    2015-01-01

    Highlights: • Relatively high levels of PFASs were present in the snow in northern China in 2013. • Particulate bound PFASs contributed 21.5–56.2% to the total PFASs in snow. • Particulate matters are vital for PFASs transport and deposition in urban atmosphere. • Partitioning of PFASs between particulate and dissolved phase was related to carbon chain length. • Isomer profiles in snow suggested that airborne PFASs were mainly from direct release. - Abstract: In this study, perfluoroalkyl substances (PFASs) and the isomers of perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS) were analyzed in fresh snow samples collected from 19 cities in northern China, 2013. The levels of total PFASs in the snow samples were 33.5–229 ng/L, suggesting heavy atmospheric pollution of PFASs in northern China. PFOA (9.08–107 ng/L), PFOS (3.52–54.3 ng/L), perfluoroheptanoate (PFHpA) (3.66–44.8 ng/L), and perfluorohexanoate (PFHxA) (3.21–23.6 ng/L) were predominant with a summed contribution of 82% to the total PFASs. The particulate matters (PMs) associated PFASs contributed 21.5–56.2% to the total PFASs in the snow, suggesting PMs are vital for the transport and deposition of airborne PFASs. Partitioning of PFASs between PM and dissolved phases was dependent on the carbon chain length and end functional groups. Isomer profiles of PFOA and PFOS in the snow were in agreement with the signature of the historical 3 M electrochemical fluorination (ECF) products, suggesting that the ECF products were still produced and used in China. Further source analysis showed that the airborne PFASs in urban area were mainly due to direct release rather than degradation of their precursors.

  4. The physics of polarization

    Science.gov (United States)

    Landi Degl'Innocenti, Egidio

    This course is intended to give a description of the basic physical concepts which underlie the study and the interpretation of polarization phenomena. Apart from a brief historical introduction (Sect. 1), the course is organized in three parts. A first part (Sects. 2 - 6) covers the most relevant facts about the polarization phenomena that are typically encountered in laboratory applications and in everyday life. In Sect. 2, the modern description of polarization in terms of the Stokes parameters is recalled, whereas Sect. 3 is devoted to introduce the basic tools of laboratory polarimetry, such as the Jones calculus and the Mueller matrices. The polarization phenomena which are met in the reflection and refraction of a beam of radiation at the separation surface between two dielectrics, or between a dielectric and a metal, are recalled in Sect. 4. Finally, Sect. 5 gives an introduction to the phenomena of dichroism and of anomalous dispersion and Sect. 6 summarizes the polarization phenomena that are commonly encountered in everyday life. The second part of this course (Sects. 7-14) deals with the description, within the formalism of classical physics, of the spectro-polarimetric properties of the radiation emitted by accelerated charges. Such properties are derived by taking as starting point the Liénard and Wiechert equations that are recalled and discussed in Sect. 7 both in the general case and in the non-relativistic approximation. The results are developed to find the percentage polarization, the radiation diagram, the cross-section and the spectral characteristics of the radiation emitted in different phenomena particularly relevant from the astrophysical point of view. The emission of a linear antenna is derived in Sect. 8. The other Sections are devoted to Thomson scattering (Sect. 9), Rayleigh scattering (Sect. 10), Mie scattering (Sect. 11), bremsstrahlung radiation (Sect. 12), cyclotron radiation (Sect. 13), and synchrotron radiation (Sect. 14

  5. Uncertainty budget for determinations of mean isomer shift from Mössbauer spectra

    DEFF Research Database (Denmark)

    Fock, Jeppe; Bogart, Lara Katrina; Posth, Oliver

    2016-01-01

    The magnetite/maghemite content within iron oxide nanoparticles can be determined using the mean isomer shift (δ¯¯). However, accurate characterisation of the composition is limited by the uncertainty associated with δ¯¯. We have identified four independent sources of uncertainty and developed...... a quantitative expression for the uncertainty budget. Sources of uncertainty are categorised as follows: that from the fitting of the Mössbauer spectrum (σ fit), that of the calibration of the α-Fe reference spectrum (σ cal), thermal corrections to the spectrum due to second order Doppler shift (SODS) (σ Δδ...

  6. Radioactive isotope and isomer separation with using light induced drift effect

    International Nuclear Information System (INIS)

    Hradecny, C.; Slovak, J.; Tethal, T.; Ermolaev, I.M.; Shalagin, A.M.

    1991-01-01

    The isotope separation with using light induced drift (LID) is discussed. The basic theoretical characteristics of the method are deduced: separation simultaneously with an arbitrary high enrichment and without significant losses; separation productivity up to 100 μg/h. These characteristics are sufficient and very convenient for separation of expensive radioactive isotopes and isomers which are applied in medicine and science. The first experimental separation of the radioactive isotopes ( 22,24 Na) by using the LID effect is reported. 13 refs.; 5 figs

  7. Contemplation on some cyclic N8 isomers-A DFT treatment

    Directory of Open Access Journals (Sweden)

    Lemi Türker

    2018-02-01

    Full Text Available Various cyclic N8 isomers are considered at the levels of B3LYP/6–311++G(d,p and B3LYP/cPVTZ. Some energies and molecular orbital properties are obtained. The structures are found to be stable in the singlet state but mostly unstable in the triplet. The heats of formation values calculated by means of T1 recipe reveals that they are highly endothermic. NICS(0 values have been calculated and aromaticity/antiaromaticity of the rings are discussed. Additionally, theoretical IR,UV-VIS spectra and the calculated impulse values have been obtained.

  8. Structure of high-spin isomers in trans-lead nuclei

    International Nuclear Information System (INIS)

    Dracoulis, G.D.

    1990-01-01

    The structure of core-excited high-spin isomers in the N ≤ 126 isotopes of At, Rn and Fr is reviewed. New results for high-spin states in 211 Rn and 212 Rn, approaching the limit of the available angular momentum from the valence particles, are presented. The recurring experimental feature is decay by very enhanced E3 transitions. These, and other properties are explained in a natural way by inclusion of particle-octupole vibration coupling, in a semi-empirical shell model. The deformed independent particle model is not successful in explaining these features. 40 refs., 4 tabs., 11 figs

  9. Cyclic Versus Linear Isomers Produced by Reaction of the Methylidyne Radical (CH) with Small Unsaturated Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Goulay, Fabien; Trevitt, Adam J.; Meloni, Giovanni; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Vereecken, Luc; Leone, Stephen R.

    2008-12-05

    The reactions of the methylidyne radical (CH) with ethylene, acetylene, allene, and methylacetylene are studied at room temperature using tunable vacuum ultraviolet (VUV) photoionization and time-resolved mass spectrometry. The CH radicals are prepared by 248 nm multiphoton photolysis of CHBr3 at 298 K and react with the selected hydrocarbon in a helium gas flow. Analysis of photoionization efficiency versus VUV photon wavelength permits isomer-specific detection of the reaction products and allows estimation of the reaction product branching ratios. The reactions proceed by either CH insertion or addition followed by H atom elimination from the intermediate adduct. In the CH + C2H4 reaction the C3H5 intermediate decays by H atom loss to yield 70(+-8)percent allene, 30(+-8)percent methylacetylene and less than 10percent cyclopropene, in agreement with previous RRKM results. In the CH + acetylene reaction, detection of mainly the cyclic C3H2 isomer is contrary to a previous RRKM calculation that predicted linear triplet propargylene to be 90percent of the total H-atom co-products. High-level CBS-APNO quantum calculations and RRKM calculation for the CH + C2H2 reaction presented in this manuscript predict a higher contribution of the cyclic C3H2 (27.0percent) versus triplet propargylene (63.5percent) than these earlier predictions. Extensive calculations on the C3H3 and C3H2D system combined with experimental isotope ratios for the CD + C2H2 reaction indicate that H-atom assisted isomerization in the present experiments is responsible for the discrepancy between the RRKM calculations and the experimental results. Cyclic isomers are also found to represent 30(+-6)percent of the detected products in the case of CH + methylacetylene, together with 33(+-6)percent 1,2,3-butatriene and 37(+-6)percent vinylacetylene. The CH + allene reaction gives 23(+-5)percent 1,2,3-butatriene and 77(+-5)percent vinylacetylene, whereas cyclic isomers are produced below the detection limit

  10. Efectos del entrenamiento de fuerza isométrica sobre la presión arterial

    OpenAIRE

    Velázquez Díaz, Daniel

    2015-01-01

    La hipertensión arterial es un problema de salud pública, que afecta a un número muy elevado de personas en todo el mundo. Por ello creo de interés social investigaciones en esta enfermedad para mejorar el control, conocimiento y tratamiento de la misma. En esta revisión se han analizado numerosas publicaciones con el objetivo de estudiar los efectos del entrenamiento de fuerza isométrica (FI) sobre la presión arterial (PA) y para comprobar si es seguro trabajar este tipo de ejercicio físico ...

  11. Proton radioactivity: the case for 53m Co proton-emitter isomer

    International Nuclear Information System (INIS)

    Tavares, O.A.P.; Medeiros, E.L.

    2010-01-01

    The partial proton emission half-life for 53m Co unstable isomer is re-examined in the framework of a semiempirical model based on tunneling through a Coulomb-plus centrifugal- plus-overlapping potential barrier within the spherical nucleus approximation. It is shown that the known measured half-life value of 17 s is compatible with a large prolate shape for 53m Co proton emitter and a high angular momentum ι = 11 assigned to the proton transition to the ground-state of 52 Fe. (author)

  12. Quadrupole moments of the 12+ isomers in 188Hg and 190Hg

    International Nuclear Information System (INIS)

    Dracoulis, G.D.; Lonnroth, T.; Vajda, S.; Dafni, E.; Schatz, G.

    1984-01-01

    The electric quadrupole interaction of the 12 + isomers in 188 Hg and 190 Hg has been measured in solid Hg. The quadrupole moments deduced, vertical strokeQ[ 188 Hg(12 + )]vertical stroke = 91(11) e fm 2 and vertical strokeQ[ 190 Hg(12 + )]vertical stroke = 117(14) e fm 2 suggest a possible change in γ-deformation due to the rotation alignment of the isub(13/2) quasi-neutrons. The temperature dependence of the electric field gradient tensor in Hg was also determined. (orig.)

  13. Polarized Proton Collisions at RHIC

    CERN Document Server

    Bai, Mei; Alekseev, Igor G; Alessi, James; Beebe-Wang, Joanne; Blaskiewicz, Michael; Bravar, Alessandro; Brennan, Joseph M; Bruno, Donald; Bunce, Gerry; Butler, John J; Cameron, Peter; Connolly, Roger; De Long, Joseph; Drees, Angelika; Fischer, Wolfram; Ganetis, George; Gardner, Chris J; Glenn, Joseph; Hayes, Thomas; Hseuh Hsiao Chaun; Huang, Haixin; Ingrassia, Peter; Iriso, Ubaldo; Laster, Jonathan S; Lee, Roger C; Luccio, Alfredo U; Luo, Yun; MacKay, William W; Makdisi, Yousef; Marr, Gregory J; Marusic, Al; McIntyre, Gary; Michnoff, Robert; Montag, Christoph; Morris, John; Nicoletti, Tony; Oddo, Peter; Oerter, Brian; Osamu, Jinnouchi; Pilat, Fulvia Caterina; Ptitsyn, Vadim; Roser, Thomas; Satogata, Todd; Smith, Kevin T; Svirida, Dima; Tepikian, Steven; Tomas, Rogelio; Trbojevic, Dejan; Tsoupas, Nicholaos; Tuozzolo, Joseph; Vetter, Kurt; Wilinski, Michelle; Zaltsman, Alex; Zelenski, Anatoli; Zeno, Keith; Zhang, S Y

    2005-01-01

    The Relativistic Heavy Ion Collider~(RHIC) provides not only collisions of ions but also collisions of polarized protons. In a circular accelerator, the polarization of polarized proton beam can be partially or fully lost when a spin depolarizing resonance is encountered. To preserve the beam polarization during acceleration, two full Siberian snakes were employed in RHIC to avoid depolarizing resonances. In 2003, polarized proton beams were accelerated to 100~GeV and collided in RHIC. Beams were brought into collisions with longitudinal polarization at the experiments STAR and PHENIX by using spin rotators. RHIC polarized proton run experience demonstrates that optimizing polarization transmission efficiency and improving luminosity performance are significant challenges. Currently, the luminosity lifetime in RHIC is limited by the beam-beam effect. The current state of RHIC polarized proton program, including its dedicated physics run in 2005 and efforts to optimize luminosity production in beam-beam limite...

  14. Photophysical effects between spirobenzopyran-methylmethacrylate functionalized colloidal particles.

    Energy Technology Data Exchange (ETDEWEB)

    Piech, Marcin; Bell, Nelson Simmons

    2005-06-01

    Colloidal particles were derivatized with end-grafted polymethylmethacryate polymer brushes containing varying concentrations of spirobenzopyran photochromic molecules. The polymers were grown from initiator-functionalized silica partilces by an atom-transfer radical polymerization (ATRP). These core-shell colloids formed stable suspensions in toluene with the spirobenzopyran in its closed, nonpolar form. However, UV-induced photoswitching of the photochrome to its open, polar merocyanine isomer caused rapid aggregation. The nature of this colloidal stability transition was examined with respect to the spirobenzopyran content in the polymeric brush and solvent polarity. Turbidimetry, wettability studies, UV-vis spectroscopy, suspension rheology, SEM, and visual inspection were utilized to characterize the system photoswitchability. It was found that the system exhibiting the greatest transition in toluene was the copolymer brush composed of 20% spirobenzopyran and 80% methyl methacrylate.

  15. Lobbying and political polarization

    OpenAIRE

    Ursprung, Heinrich W.

    2002-01-01

    Standard spatial models of political competition give rise to equilibria in which the competing political parties or candidates converge to a common position. In this paper I show how political polarization can be generated in models that focus on the nexus between pre-election interest group lobbying and electoral competition.

  16. Fluorescence confocal polarizing microscopy

    Indian Academy of Sciences (India)

    Much of the modern understanding of orientational order in liquid crystals (LCs) is based on polarizing microscopy (PM). A PM image bears only two-dimensional (2D) information, integrating the 3D pattern of optical birefringence over the path of light. Recently, we proposed a technique to image 3D director patterns by ...

  17. Polarization of Bremsstrahlung

    International Nuclear Information System (INIS)

    Miller, J.

    1957-01-01

    The numerical results for the polarization of Bremsstrahlung are presented. The multiple scattering of electrons in the target is taken into account. The angular-and photon energy dependences are seen on the curves for an incident 25 MeV electron energy. (Author) [fr

  18. DESY: HERA polarization

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    The new HERA electron-proton collider at DESY in Hamburg achieved the first luminosity for electron-proton collisions on 19 October last year. Only one month later, on 20 November, HERA passed another important milestone with the observation of transverse electron polarization

  19. Titan Polar Landscape Evolution

    Science.gov (United States)

    Moore, Jeffrey M.

    2016-01-01

    With the ongoing Cassini-era observations and studies of Titan it is clear that the intensity and distribution of surface processes (particularly fluvial erosion by methane and Aeolian transport) has changed through time. Currently however, alternate hypotheses substantially differ among specific scenarios with respect to the effects of atmospheric evolution, seasonal changes, and endogenic processes. We have studied the evolution of Titan's polar region through a combination of analysis of imaging, elevation data, and geomorphic mapping, spatially explicit simulations of landform evolution, and quantitative comparison of the simulated landscapes with corresponding Titan morphology. We have quantitatively evaluated alternate scenarios for the landform evolution of Titan's polar terrain. The investigations have been guided by recent geomorphic mapping and topographic characterization of the polar regions that are used to frame hypotheses of process interactions, which have been evaluated using simulation modeling. Topographic information about Titan's polar region is be based on SAR-Topography and altimetry archived on PDS, SAR-based stereo radar-grammetry, radar-sounding lake depth measurements, and superposition relationships between geomorphologic map units, which we will use to create a generalized topographic map.

  20. Graphics of polar figure

    International Nuclear Information System (INIS)

    Macias B, L.R.

    1991-11-01

    The objective of this work, is that starting from a data file coming from a spectra that has been softened, and of the one that have been generated its coordinates to project it in stereographic form, to create the corresponding polar figure making use of the Cyber computer of the ININ by means of the GRAPHOS package. This work only requires a Beta, Fi and Intensity (I) enter data file. It starts of the existence of a softened spectra of which have been generated already with these data, making use of some language that in this case was FORTRAN for the Cyber computer, a program is generated supported in the Graphos package that allows starting of a reading of the Beta, Fi, I file, to generate the points in a stereographic projection and that it culminates with the graph of the corresponding polar figure. The program will request the pertinent information that is wanted to capture in the polar figure just as: date, name of the enter file, indexes of the polar figure, number of levels, radio of the stereographic projection (cms.), crystalline system to which belongs the sample, name the neuter graph file by create and to add the own general data. (Author)

  1. Single-molecule imaging reveals topological isomer-dependent diffusion by 4-armed star and dicyclic 8-shaped polymers

    KAUST Repository

    Habuchi, Satoshi

    2015-04-21

    Diffusion dynamics of topological isomers of polymer molecules was investigated at the single-molecule level in a melt state by employing the fluorophore-incorporated 4-armed star and the corresponding doubly-cyclized, 8-shaped poly(THF) chains. While the single-molecule fluorescence imaging experiment revealed that the diffusion of the 4-armed star polymer was described by a single Gaussian distribution, the diffusion of the 8-shaped polymer exhibited a double Gaussian distribution behaviour. We reasoned that the two 8-shaped polymeric isomers have distinct diffusion modes in the melt state, although ensemble-averaged experimental methods cannot detect differences in overall conformational state of the isomers. The single-molecule experiments suggested that one of the 8-shaped polymeric isomer, having the horizontally oriented form, causes an efficient threading with the linear matrix chains which leads to the slower diffusion compared with the corresponding 4-armed star polymer, while the other 8-shaped polymeric isomer, having the vertically oriented form, displayed faster diffusion by the suppression of effective threading with the linear matrix chains due to its contracted chain conformation.

  2. Opposite effects of different hexachlorocyclohexane (lindane) isomers on cerebellar cyclic GMP: relation of cyclic GMP accumulation to seizure activity

    International Nuclear Information System (INIS)

    Fishman, B.E.; Gianutsos, G.

    1987-01-01

    A number of different depressant and convulsant agents have been shown to alter accumulation of cerebellar cyclic GMP. Since the different hexachlorocyclohexane (HCH) isomers elicit different pharmacological responses in mammals, the authors examined their effects on the accumulation of cerebellar cyclic GMP. Mice received one of the HCH isomers and were sacrificed for determination of cyclic GMP concentrations one hour later. Gamma-HCH increased cyclic GMP while alpha and delta -HCH decreased it. In addition, alpha and delta -HCH prevented the increase in cyclic GMP due to the gamma isomer. Picrotoxin increased cyclic GMP in a manner similar to that of gamma-HCH while strychnine produced only a small increase. All three HCH isomers inhibited the binding of 3 H-TBOB (a ligand for the GABA-A-receptor linked chloride channel) in mouse cerebellum. It is concluded the different HCH isomers can have different effects on cerebellar cyclic GMP accumulation and that these effects may mediated through actions at the GABA-A receptor linked chloride channel. 15 references, 1 figure, 3 tables

  3. Revising Reverse-Phase Chromatographic Behavior for Efficient Differentiation of Both Positional and Geometrical Isomers of Dicaffeoylquinic Acids

    Directory of Open Access Journals (Sweden)

    Keabetswe Masike

    2018-01-01

    Full Text Available Dicaffeoylquinic acids (diCQAs are plant metabolites and undergo trans-cis-isomerization when exposed to UV irradiation. As such, diCQAs exist in both trans- and cis-configurations and amplify the already complex plant metabolome. However, analytical differentiation of these geometrical isomers using mass spectrometry (MS approaches has proven to be extremely challenging. Exploring the chromatographic space to develop possible conditions that would aid in differentially separating and determining the elution order of these isomers is therefore imperative. In this study, simple chromatographic parameters, such as column chemistry (phenyl versus alkyl, mobile phase composition (methanol or acetonitrile, and column temperature, were investigated to aid in the separation of diCQA geometrical isomers. The high-performance liquid chromatography photodiode array (HPLC-PDA chromatograms revealed four isomers post UV irradiation of diCQA authentic standards. The elution profile/order was seen to vary on different reverse-phase column chemistries (phenyl versus alkyl using different mobile phase composition. Here, the elution profile/order on the phenyl-derived column matrices (with methanol as the mobile phase composition was observed to be relatively reproducible as compared to the alkyl (C18 columns. Chromatographic resolution of diCQA geometrical isomers can be enhanced with an increase in column temperature. Lastly, the study highlights that chromatographic elution order/profile cannot be relied upon to fathom the complexity of isomeric plant metabolites.

  4. Identification and quantitation of lipid C=C location isomers: A shotgun lipidomics approach enabled by photochemical reaction.

    Science.gov (United States)

    Ma, Xiaoxiao; Chong, Leelyn; Tian, Ran; Shi, Riyi; Hu, Tony Y; Ouyang, Zheng; Xia, Yu

    2016-03-08

    The field of lipidomics has been significantly advanced by mass spectrometric analysis. The distinction and quantitation of the unsaturated lipid isomers, however, remain a long-standing challenge. In this study, we have developed an analytical tool for both identification and quantitation of lipid C=C location isomers from complex mixtures using online Paternò-Büchi reaction coupled with tandem mass spectrometry (MS/MS). The potential of this method has been demonstrated with an implementation into shotgun lipid analysis of animal tissues. Among 96 of the unsaturated fatty acids and glycerophospholipids identified from rat brain tissue, 50% of them were found as mixtures of C=C location isomers; for the first time, to our knowledge, the quantitative information of lipid C=C isomers from a broad range of classes was obtained. This method also enabled facile cross-tissue examinations, which revealed significant changes in C=C location isomer compositions of a series of fatty acids and glycerophospholipid (GP) species between the normal and cancerous tissues.

  5. Demystifying fluorine chemical shifts: electronic structure calculations address origins of seemingly anomalous (19)F-NMR spectra of fluorohistidine isomers and analogues.

    Science.gov (United States)

    Kasireddy, Chandana; Bann, James G; Mitchell-Koch, Katie R

    2015-11-11

    Fluorine NMR spectroscopy is a powerful tool for studying biomolecular structure, dynamics, and ligand binding, yet the origins of (19)F chemical shifts are not well understood. Herein, we use electronic structure calculations to describe the changes in (19)F chemical shifts of 2F- and 4F-histidine/(5-methyl)-imidazole upon acid titration. While the protonation of the 2F species results in a deshielded chemical shift, protonation of the 4F isomer results in an opposite, shielded chemical shift. The deshielding of 2F-histidine/(5-methyl)-imidazole upon protonation can be rationalized by concomitant decreases in charge density on fluorine and a reduced dipole moment. These correlations do not hold for 4F-histidine/(5-methyl)-imidazole, however. Molecular orbital calculations reveal that for the 4F species, there are no lone pair electrons on the fluorine until protonation. Analysis of a series of 4F-imidazole analogues, all with delocalized fluorine electron density, indicates that the deshielding of (19)F chemical shifts through substituent effects correlates with increased C-F bond polarity. In summary, the delocalization of fluorine electrons in the neutral 4F species, with gain of a lone pair upon protonation may help explain the difficulty in developing a predictive framework for fluorine chemical shifts. Ideas debated by chemists over 40 years ago, regarding fluorine's complex electronic effects, are shown to have relevance for understanding and predicting fluorine NMR spectra.

  6. New CE-ESI-MS analytical method for the separation, identification and quantification of seven phenolic acids including three isomer compounds in virgin olive oil.

    Science.gov (United States)

    Nevado, Juan José Berzas; Peñalvo, Gregorio Castañeda; Robledo, Virginia Rodríguez; Martínez, Gabriela Vargas

    2009-10-15

    A sensitive and expeditious CE-ESI-MS analytical method for the separation, identification and determination of seven selected antioxidants (cinnamic and benzoic acids), including three isomers of coumaric acid (ortho-, meta- and para-) has been developed. In order to obtain the analytical separation, capillary electrophoresis and CE-MS interface parameters (e.g., buffer pH and composition, sheath liquid and gas flow rates, sheath liquid composition, electrospray voltage, etc.) were carefully optimized. The polar fraction containing the selected phenolic acids was obtained using a previously optimized SPE pretreatment. An MS detector in order to extract structural information about the target compounds and facilitate their qualitative analysis was used in the negative ion mode. The proposed off-line SPE CE-ESI-MS method was validated by assessing its precision, LODs and LOQs, linearity range and accuracy. The optimized and validated method was used in order to quantify the selected antioxidants in various samples of virgin olive oil and extra-virgin olive oil obtained from the main olive varieties cropped in Castilla-La Mancha, Spain. Salicylic acid was used as internal standard throughout in order to ensure reproducibility in the quantitative analysis of the oil samples. The results confirmed the presence of hydroxyphenyl acetic, p-coumaric, ferulic and vanillic acids in substantial amounts (microg g(-1) level) in all samples.

  7. Characteristics of volume polarization holography with linear polarization light

    Science.gov (United States)

    Zang, Jinliang; Wu, An'an; Liu, Ying; Wang, Jue; Lin, Xiao; Tan, Xiaodi; Shimura, Tsutomu; Kuroda, Kazuo

    2015-10-01

    Volume polarization holographic recording in phenanthrenequinone-doped poly(methyl methacrylate) (PQ-PMMA) photopolymer with linear polarized light is obtained. The characteristics of the volume polarization hologram are experimentally investigated. It is found that beyond the paraxial approximation the polarization states of the holographic reconstruction light are generally different from the signal light. Based on vector wave theoretical analyses and material properties, the special exposure condition for correctly holographic reconstruction is obtained and experimentally demonstrated.

  8. Experiments with Fermilab polarized proton and polarized antiproton beams

    International Nuclear Information System (INIS)

    Yokosawa, A.

    1990-01-01

    We summarize activities concerning the Fermilab polarized beams. They include a brief description of the polarized-beam facility, measurements of beam polarization by polarimeters, asymmetry measurements in the π degree production at high p perpendicular and in the Λ (Σ degree), π ± , π degree production at large x F , and Δσ L (pp, bar pp) measurements. 18 refs

  9. NUCLEON POLARIZATION IN 3-BODY MODELS OF POLARIZED LI-6

    NARCIS (Netherlands)

    SCHELLINGERHOUT, NW; KOK, LP; COON, SA; ADAM, RM

    1993-01-01

    Just as He-3 --> can be approximately characterized as a polarized neutron target, polarized Li-6D has been advocated as a good isoscalar nuclear target for the extraction of the polarized gluon content of the nucleon. The original argument rests upon a presumed ''alpha + deuteron'' picture of Li-6,

  10. Anti-Leishmania and cytotoxic activities of perillaldehyde epoxide synthetic positional isomers.

    Science.gov (United States)

    Keesen, Tatjana Souza Lima; da Silva, Larisse Virgolino; da Câmara Rocha, Juliana; Andrade, Luciana Nalone; Lima, Tamires Cardoso; de Sousa, Damião Pergentino

    2018-03-13

    Leishmaniasis belongs to a complex of zoonotic disease caused by protozoa of the genus Leishmania and is considered a major public health problem. Several essential oil chemical components have inhibitory effect against protozoa, including Leishmania donovani. Thus, the aim of this study was to evaluate for the first time the anti-Leishmania activity of two p-menthane monoterpene isomers (EPER-1: perillaldehyde 1,2-epoxide and EPER-2: perillaldehyde 8,9-epoxide) against L. donovani promastigotes as well as evaluating cytotoxic effect on mononuclear peripheral blood cells. Results of anti-Leishmania assay revealed that EPER-2 (IC 50  = 3.8 μg.mL -1 ) was 16-fold more potent than its isomer EPER-1 (IC 50  = 64.6 μg.mL -1 ). In contrast to PBMC cells, EPER-2 was not cytotoxic (IC 50  > 400 μg.mL -1 ) when compared to positive control. These data suggest that the disposition of epoxide group into the p-menthane skeleton affects the anti-Leishmania activity, being that the presence of the exocyclic epoxide group considerably increased potency. Thus, it was possible to observe that the location of the epoxide group into the p-menthane skeleton resulted in different potencies.

  11. Quadrupole moment of the 8/sup -/ isomer in /sup 112/Sb

    Energy Technology Data Exchange (ETDEWEB)

    Mahnke, H.; Dafni, E.; Rafailovich, M.H.; Sprouse, G.D.; Vapirev, E.

    1982-08-01

    The quadrupole interaction of the 8/sup -/ isomeric state (T/sub 1/2/ = 536 ns) in /sup 112/Sb has been measured using the time differential perturbed angular distribution method. The linear momentum transfer from the /sup 103/Rh(/sup 12/C, 3n) reaction recoiled the isomeric nuclei into single crystals of Sb and Sn and a polycrystalline In foil. From the quadrupole coupling constant for the 8/sup -/ state of /sup 112/Sb in Sb, the quadrupole moment was obtained relative to the moment of the stable ground state of /sup 121/Sb: Vertical BarQ(/sup 112/Sb,8/sup -/)/Q(/sup 121/Sb,(5/2)/sup +/)Vertical Bar = 1.958(10). The value is in accordance with the description of the isomer as an odd proton coupled to a neutron-excited Sn core. In addition, the measured coupling constants in Sn and In allow the determination of the quadrupole moments of isomers in /sup 120,122/Sb and /sup 115/Sb.

  12. Brain metabolites of lindane and related isomers: identification by negative ion mass spectrometry.

    Science.gov (United States)

    Artigas, F; Martínez, E; Camón, L; Gelpí, E; Rodríguez-Farré, E

    1988-04-01

    The application of a new method of gas chromatography-mass spectrometry (GC-MS) to the study of some aspects of the metabolism of hexachlorocyclohexanes is presented. Instead of the classical mode of ionization (Electron Impact, EI), this method uses chemical ionization, recording only the negative ions produced. This enables a tremendous enhancement of the signal when chlorinated compounds elute from the chromatographic column. The mass spectra obtained consist generally in the ions corresponding to the molecular weight of the compound analyzed. The sensitivity of the method is higher than any other GC method described: the limit of detection of several organochlorine compounds can be as low as 60 femtograms. Using this method we have been able to identify several Lindane metabolites (tetra-, penta- and hexachlorocyclohexenes, tetra- and pentachlorobenzene) in rat brain homogenates without any purification step. Using this method, a quantitative study of the main metabolites found in brain after treatment with 4 different HCH isomers has been performed. This study reveals that the HCH isomers are cleared from the brain via different metabolic pathways, with a rate of production of metabolites which is inversely correlated to their half lives in brain.

  13. Conformational inversion-topomerization mechanism of ethylcyclohexyl isomers and its role in combustion kinetics

    KAUST Repository

    Bian, Huiting

    2016-07-26

    With the "strain-free" cyclic structure, cyclohexane and alkyl cyclohexanes (and their radicals) have various conformers (e.g. chair, boat, and twist etc.) by pseudorotation of the alkyl ring. Noting that different conformers will undergo different types of H-migration reactions, the mechanism of conformational change may impact the distribution of cyclohexyl and the branched cyclohexyl radical isomers during cyclohexane and alkyl cyclohexanes combustion. Consequently, it will influence the formation of subsequent decomposition products. In this work, the conformational inversion-topomerization mechanism and H-migration reactions for six ethylcyclohexyl radical isomers were systematically studied by ab initio calculations and the transition state theory. The updated sub-mechanism of these conformational changes is incorporated into an ethylcyclohexane pyrolysis model. By comparing the simulated results of the "complete" model including the sub-mechanism of conformational changes and the simplified model ignoring these processes, the effect of inversion-topomerization mechanism on the relative concentrations of various ethylcyclohexyl radicals and the formation of subsequent decomposition products were revealed. © 2016.

  14. Isomer beam elastic scattering: 26mAl(p, p) for astrophysics

    Science.gov (United States)

    Kahl, D.; Shimizu, H.; Yamaguchi, H.; Abe, K.; Beliuskina, O.; Cha, S. M.; Chae, K. Y.; Chen, A. A.; Ge, Z.; Hayakawa, S.; Imai, N.; Iwasa, N.; Kim, A.; Kim, D. H.; Kim, M. J.; Kubono, S.; Kwag, M. S.; Liang, J.; Moon, J. Y.; Nishimura, S.; Oka, S.; Park, S. Y.; Psaltis, A.; Teranishi, T.; Ueno, Y.; Yang, L.

    2018-01-01

    The advent of radioactive ground-state beams some three decades ago ultimately sparked a revolution in our understanding of nuclear physics. However, studies with radioactive isomer beams are sparse and have often required sophisticated apparatuses coupled with the technologies of ground-state beams due to typical mass differences on the order of hundreds of keV and vastly different lifetimes for isomers. We present an application of a isomeric beam of 26mAl to one of the most famous observables in nuclear astrophysics: galactic 26Al. The characteristic decay of 26Al in the Galaxy was the first such specific radioactivity to be observed originating from outside the Earth some four decades ago. We present a newly-developed, novel technique to probe the structure of low-spin states in 27Si. Using the Center for Nuclear Study low-energy radioisotope beam separator (CRIB), we report on the measurement of 26mAl proton resonant elastic scattering conducted with a thick target in inverse kinematics. The preliminary results of this on-going study are presented.

  15. Effects of isomers of apomorphines on dopamine receptors in striatal and limbic tissue of rat brain

    Energy Technology Data Exchange (ETDEWEB)

    Kula, N.S.; Baldessarini, R.J.; Bromley, S.; Neumeyer, J.L.

    1985-09-16

    The optical isomers of apomorphine (APO) and N-propylnorapomorphine (NPA) were interacted with three biochemical indices of dopamine (Da) receptors in extrapyramidal and limbic preparations of rat brain tissues. There were consistent isomeric preferences for the R(-) configuration of both DA analogs in stimulation adenylate cyclase (D-1 sites) and in competing for high affinity binding of /sup 3/H-spiroperidol (D-2 sites) and of /sup 3/H-ADTN (DA agonist binding sites) in striatal tissue, with lesser isomeric differences in the limbic tissue. The S(+) apomorphines did not inhibit stimulation of adenylate cyclase by DA. The tendency for greater activity of higher apparent affinity of R(-) apomorphines in striatum may reflect the evidently greater abundance of receptor sites in that region. There were only small regional differences in interactions of the apomorphine isomers with all three receptor sites, except for a strong preference of (-)NPA for striatal D-2 sites. These results do not parallel our recent observations indicating potent and selective antidopaminergic actions of S(+) apomorphines in the rat limbic system. They suggest caution in assuming close parallels between current biochemical functional, especially behavioral, methods of evaluating dopamine receptors of mammalian brain.

  16. Effect of food processing on degradation of hexachlorocyclohexane and its isomers in milk

    Directory of Open Access Journals (Sweden)

    Sujatha Singh

    2017-03-01

    Full Text Available Aim: To study the effect of different food processing techniques on the degradation of organochlorine compounds (α, β, ɣ and δ hexachlorocyclohexane isomers (HCH residues in both natural and fortified samples of milk. Materials and Methods: Raw milk samples are collected from the local areas of Hyderabad, India. Naturally and fortified milk samples (HCH were subjected to various food processing techniques, pasteurization (63ºC for ½ h, sterilization (121ºC for 15 min and boiling for 5 min and analyzed by gas chromatography with electron capture detector using quick, easy, cheap, effective, rugged and safe method for multiresidue analysis of pesticides in milk with slight modification. Results: The final mean residual concentration of pesticide in milk after heat processing and percentage of degradation were calculated with respective treatments. Conclusion: Heat treatments are highly effective on reduction of mean residual concentration of HCH in milk. In which Sterilization and boiling proved to be more effective in degradation of HCH isomers.

  17. Isomer pattern and elimination of dioxins in workers exposed at a municipal waste incineration plant

    Science.gov (United States)

    YAMAMOTO, Kenya; KUDO, Mitsuhiro; ARITO, Heihachiro; OGAWA, Yasutaka; TAKATA, Tsutomu

    2015-01-01

    The aim of this study was to clarify patterns of serum concentrations of dioxins in the employees of a waste incineration plant and to estimate elimination rates and half-lives of serum dioxin isomers, and the maximum serum concentrations of dioxin isomers at the time of plant shutdown. Sixteen subjects participating 3 times or more in annual health examinations during an 8-yr period from 2000 to 2007 were recruited for this study. Serum concentrations of dioxins expressed as TEQ/g lipid decreased gradually after plant shutdown with the highest decrease observed in polychlorinated dibenzofurans (PCDFs) followed by polychlorinated deibenzo-p-dioxins (PCDDs) and then coplanar PCBs. The serum toxic equivalency (TEQ) concentrations of PCDF and PCDD congeners in the employees were higher than those in the general population survey by the Ministry of the Environment, Japan, whereas the serum concentrations of coplanar PCBs were similar to those in the general population. The estimated half-lives and elimination rates of PCDDs and PCDFs in the highly exposed workers increased compared with the moderately exposed workers. The estimated geometric mean serum concentrations of PCDDs, PCDFs and total dioxins at the time of plant shutdown were 35, 53 and 107 pg TEQ/g lipid, respectively. PMID:26118856

  18. Determination of melatonin and its isomer in foods by liquid chromatography tandem mass spectrometry.

    Science.gov (United States)

    Kocadağlı, Tolgahan; Yılmaz, Cemile; Gökmen, Vural

    2014-06-15

    This study aimed to develop a reliable analytical method for the determination of melatonin and its isomers in various food products. The method entails ethanol extraction of solid samples (or dilution of liquid samples) prior to liquid chromatography coupled to triple quadruple mass spectrometry (LC-MS/MS) analysis of target analytes. The method was in-house validated and successfully applied to various food matrices. Recovery of melatonin from different matrices were found to be 86.0 ± 3.6%, 76.9 ± 5.4%, 98.6 ± 6.4%, and 67.0 ± 4.5% for beer, walnut, tomato and sour cherry samples, respectively. No melatonin could be detected in black and green tea, sour cherry, sour cherry concentrate, kefir (a fermented milk drink) and red wine while the highest amount of melatonin (341.7 ± 29.3 pg/g) was detected in crumb. The highest amounts of melatonin isomer were detected in yeast-fermented foods such as 170.7 ± 29.9 ng/ml in red wine, 14.3 ± 0.48 ng/ml in beer, and 15.7 ± 1.4 ng/g in bread crumb. Copyright © 2013 Elsevier Ltd. All rights reserved.

  19. Selective bioaccumulation, biomagnification, and dissipation of hexachlorocyclohexane isomers in a freshwater food chain.

    Science.gov (United States)

    Di, Shanshan; Liu, Ruiquan; Chen, Li; Diao, Jinling; Zhou, Zhiqiang

    2018-04-30

    Hexachlorocyclohexane isomers (HCHs) are persistent organic pollutants (POPs), having potential risks to humans and ecosystem. This work evaluated the propensity of organisms to accumulate, eliminate, and transfer HCHs along the food chain (Tubifex tubifex and common carp (Cyprinus carpio)). The accumulation of HCHs from water by worms and carp was observed, and the concentrations increased with exposure time. After 8 days, the HCH concentrations in organisms remained stable. The accumulation factor (AF) values of HCHs in T. tubifex were higher than those in carp, indicating that the bioaccumulation abilities of HCHs in T. tubifex were higher than those in carp. The contaminated worms as a dietary source in the food chain led to significantly higher bioaccumulation in carp. The biomagnification factor (BMF) values of HCH isomers were all greater than 1. In the dissipation experiments, the elimination was fast and the half-lives were shorter than 2.5 days. The enantioselective accumulation and dissipation of α-HCH enantiomers were observed in worms and carp (food chain), and the enantiomeric differences should be taken into consideration in the study of contaminants risk assessment. The results on trophic transfer of HCHs in a freshwater food chain should be helpful for better understanding the fate, transport, and transfer of HCHs in freshwater environments.

  20. Unambiguous identification of three $\\beta$-decaying Isomers in $^{70}$Cu

    CERN Document Server

    Van Roosbroeck, J; Audi, G; Beck, D; Blaum, K; Bollen, G; Cederkäll, J; Delahaye, P; De Maesschalck, A; De Witte, H; Fedorov, D; Fedosseev, V; Franchoo, S; Fynbo, H O U; Górska, M; Herfurth, F; Heyde, Kris L G; Huyse, M; Kellerbauer, A G; Kluge, H J; Köster, U; Kruglov, K; Lunney, M D; Mishin, V I; Müller, W F; Nagy, S; Schwarz, S; Schweikhard, L; Smirnova, N A; Van de Vel, K; Van Duppen, P; Van Dyck, A; Walters, W B; Weissman, L; Yazidjian, C

    2004-01-01

    Using resonant laser ionization, $\\beta$-decay studies and for the first time mass measurements, three $\\beta$-decaying states have been unambiguously identified in $^{70}$Cu. A mass excess of -62976.1(1.6) keV and a half-life of 44.5(2) s for the (6$^{-}$) ground state have been determined. The level energies of the (3$^{−}$) isomer at 101.1(3) keV with $T_{1/2}=33(2)$   s and the $1^{+}$ isomer at 242.4(3) keV with $T_{1/2}=6.6(2)$   s are confirmed by high-precision mass measurements. The low-lying levels of $^{70}$Cu populated in the decay of $^{70}$Ni and in transfer reactions compare well with large-scale shell-model calculations, and the wave functions appear to be dominated by one proton–one neutron configurations outside the closed Z=28 shell and N=40 subshell. This does not apply to the $1^{+}$ state at 1980 keV which exhibits a particular feeding and deexcitation pattern not reproduced by the shell-model calculations.

  1. Quantification of the ratio of positional isomer dilinoleoyl-oleoyl glycerols in vegetable oils.

    Science.gov (United States)

    Jakab, A; Jablonkai, I; Forgács, E

    2003-01-01

    The distribution of fatty acids in a triacylglycerol is of great importance from nutritional, biochemical, quality and technological points of view. The ratio of triacylglycerol positional isomers containing two linoleic acid (18:2) and one oleic acid (18:1) moieties--namely, 1(3),2-dilinoleoyl-3(1)-oleoyl glycerol (LLO) and 1,3-dilinoleoyl-2-oleoyl glycerol (LOL)--were quantified in grape seed, olive, pumpkin seed, soybean, sunflower and wheat germ oils by high-performance liquid chromatography/atmospheric pressure chemical ionization mass spectrometry (HPLC/APCI-MS) in selected ion monitoring (SIM) mode. Relative LOL contents (LOL/(LLO+LOL)) of the oils were calculated from the mass abundances of the [LL]+ and [LO]+ diacylglycerol fragment ions ([M+H-RCOOH]+) using a calibration curve. The calibration curve of the relative diacylglycerol mass abundances was measured in SIM mode. The relative LOL contents were found to be relatively consistent for each oil variety. The relative LOL content in grape seed, sunflower, pumpkin seed, soybean and wheat germ oils accounted for 44.2 +/- 2.6, 26.8 +/- 3.2, 16.7 +/- 4.6, 15.9 +/- 2.9 and 13.9 +/- 4.3%, respectively. Only olive oils contained practically 100% of the LLO isomer. These results indicate that the unsaturated fatty acids such as linoleic and oleic acids have 'non-random' distribution patterns in various oils. Copyright 2003 John Wiley & Sons, Ltd.

  2. [Formation of protodioscin and deltoside isomers in suspension cultures of Nepal yam (Dioscorea deltoidea Wall.) cells].

    Science.gov (United States)

    Khandy, M T; Titova, M V; Konstantinova, S V; Kochkin, D V; Ivanov, I M; Nosov, A M

    2016-01-01

    Changes in the content of the furostanol glycosides protodioscin and deltoside, particularly that of the (25S)-isomers of the glycosides, during suspension cultivation of different lines of Nepal yam (Dioscorea deltoidea Wall.) cells of the strain IFR-DM-0.5 has been investigated. The composition of furostanol glycosides has been characterized, and the dynamics of the accumulation of individual glycosides during lengthy subcultivation of cells maintained in flasks or in a barbotage bioreactor has been analyzed. A positive correlation between the growth and accumulation of substances that belonged to the class of furostanol glycosides has been demonstrated for cultured dioscorea cells, whereas the content of some of the individual glycosides varied considerably between the lines of the strain, cultures maintained under different conditions, and even between cells in different phases of the growth cycle. The increased content of (25R)-forms of the glycosides (protodioscin and deltoside) was correlated with a decrease in the cellular growth rate, whereas an increase in culture growth intensity occurred concomitantly to an increase of the amount of (25S)-isomers. This may be indicative of the specific stimulatory effect of (25S)-glycosides, but not the (25R)-forms, on cell proliferation in vitro. Thus, the concentration of (25S)-forms may increase due to the autoselection of cells capable of intensive division during prolonged cultivation.

  3. Occurrence, fluxes and sources of perfluoroalkyl substances with isomer analysis in the snow of northern China.

    Science.gov (United States)

    Shan, Guoqiang; Chen, Xinwei; Zhu, Lingyan

    2015-12-15

    In this study, perfluoroalkyl substances (PFASs) and the isomers of perfluorooctanoate (PFOA) and perfluorooctanesulfonate (PFOS) were analyzed in fresh snow samples collected from 19 cities in northern China, 2013. The levels of total PFASs in the snow samples were 33.5-229 ng/L, suggesting heavy atmospheric pollution of PFASs in northern China. PFOA (9.08-107 ng/L), PFOS (3.52-54.3 ng/L), perfluoroheptanoate (PFHpA) (3.66-44.8 ng/L), and perfluorohexanoate (PFHxA) (3.21-23.6 ng/L) were predominant with a summed contribution of 82% to the total PFASs. The particulate matters (PMs) associated PFASs contributed 21.5-56.2% to the total PFASs in the snow, suggesting PMs are vital for the transport and deposition of airborne PFASs. Partitioning of PFASs between PM and dissolved phases was dependent on the carbon chain length and end functional groups. Isomer profiles of PFOA and PFOS in the snow were in agreement with the signature of the historical 3M electrochemical fluorination (ECF) products, suggesting that the ECF products were still produced and used in China. Further source analysis showed that the airborne PFASs in urban area were mainly due to direct release rather than degradation of their precursors. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. New information on the T1/2=47 s isomer in the 136I nucleus

    International Nuclear Information System (INIS)

    Urban, W.; Rzaca-Urban, T.; Saha Sarkar, M.; Sarkar, S.; Durell, J.L.; Smith, A.G.; Genevey, J.A.; Pinston, J.A.; Simpson, G.S.; Ahmad, I.

    2006-01-01

    The 136 I nucleus, populated in the spontaneous fission of 248 Cm, was studied by means of prompt γ-ray spectroscopy using the EUROGAM2 array. The observation in this work of the 42.6 keV prompt-γ, M1+E2 transition de-exciting the 7 - level in 136 I indicates that this level, interpreted as the (πg 7/2 3 νf 7/2 ) 7- configuration, does not correspond to the T=47 s, β-decaying isomer in 136 I. The isomer is placed 42.6 keV below the 7 - level. It has spin 6 - and is interpreted as the (πg 7/2 2 d 5/2 νf 7/2 ) 6- configuration. This and other members of both multiplets can be reproduced properly only if one assumes that the πd 5/2 orbital in 136 I is located 400keV lower than in 133 Sb. Possible mechanisms causing this effect are discussed. (orig.)

  5. Geomagnetic polarity transitions

    Science.gov (United States)

    Merrill, Ronald T.; McFadden, Phillip L.

    1999-05-01

    The top of Earth's liquid outer core is nearly 2900 km beneath Earth's surface, so we will never be able to observe it directly. This hot, dense, molten iron-rich body is continuously in motion and is the source of Earth's magnetic field. One of the most dynamic manifestations at Earth's surface of this fluid body is, perhaps, a reversal of the geomagnetic field. Unfortunately, the most recent polarity transition occurred at about 780 ka, so we have never observed a transition directly. It seems that a polarity transition spans many human lifetimes, so no human will ever witness the phenomenon in its entirety. Thus we are left with the tantalizing prospect that paleomagnetic records of polarity transitions may betray some of the secrets of the deep Earth. Certainly, if there are systematics in the reversal process and they can be documented, then this will reveal substantial information about the nature of the lowermost mantle and of the outer core. Despite their slowness on a human timescale, polarity transitions occur almost instantaneously on a geological timescale. This rapidity, together with limitations in the paleomagnetic recording process, prohibits a comprehensive description of any reversal transition both now and into the foreseeable future, which limits the questions that may at this stage be sensibly asked. The natural model for the geomagnetic field is a set of spherical harmonic components, and we are not able to obtain a reliable model for even the first few harmonic terms during a transition. Nevertheless, it is possible, in principle, to make statements about the harmonic character of a geomagnetic polarity transition without having a rigorous spherical harmonic description of one. For example, harmonic descriptions of recent geomagnetic polarity transitions that are purely zonal can be ruled out (a zonal harmonic does not change along a line of latitude). Gleaning information about transitions has proven to be difficult, but it does seem

  6. Polarized electron beams at SLAC

    International Nuclear Information System (INIS)

    Moffeit, K.C.

    1992-11-01

    SLAC has successfully accelerated high energy polarized electrons for the Stanford Linear Collider and fixed polarized nuclear target experiments. The polarized electron beams at SLAC use a gallium arsenide (GaAlAs for E-142) photon emission source to provide the beam of polarized electrons with polarization of approximately 28% (41% for E-142). While the beam emittance is reduced in the damping ring for SLC operation a system of bend magnets and superconducting solenoids preserve and orient the spin direction for maximum longitudinal polarization at the collision point. The electron polarization is monitored with a Compton scattering polarimeter, and was typically 22% at the e+e- collision point for the 1992 run. Improvements are discussed to increase the source polarization and to reduce the depolarization effects between the source and the collision point

  7. Analytical polarization calculations beyond SLIM

    International Nuclear Information System (INIS)

    Barber, D.P.

    1989-01-01

    A comparison is made between the theories of Bell and Leinaas and of Derbenev and Kondratenko for the spin polarization in electron storage rings. A calculation of polarization in HERA using the program SMILE of Mane is presented

  8. An evaluation of the environmental fate and behavior of munitions materiel (tetryl and polar metabolites of TNT) in soil and plant systems

    International Nuclear Information System (INIS)

    Fellows, R.J.; Harvey, S.D.; Cataldo, D.A.

    1993-09-01

    A preliminary study was conducted to elucidate the nature of the polar metabolites reported for plant tissues and xylem exudates following root accumulation of trinitrotoluene. Studies focused on the nature of the proposed conjugates of TNT-residues in xylem exudates of bush beam plants. Use of enzymatic methods failed to demonstrate that the conjugates were carbohydrate based, but acid hydrolysis indicated that the conjugates may be protein based. Of the five polar conjugates isolated from exudates, the presence of aminodinitrotoluene isomers and one unknown TNT residue was demonstrated

  9. HPLC analysis of geometrical isomers of lutein epoxide isolated from dandelion (Taraxacum officinale F. Weber ex Wiggers).

    Science.gov (United States)

    Meléndez-Martínez, Antonio J; Britton, George; Vicario, Isabel M; Heredia, Francisco J

    2006-04-01

    Lutein epoxide has been isolated from petals of dandelion (Taraxacum officinale F. Weber ex Wiggers) by thin-layer chromatography (TLC) on silica to be used for the accurate identification of this carotenoid in other sources. The extract was analyzed by high-performance liquid chromatography (HPLC) using a C(30) column, as a result of which six geometrical isomers were separated. The identification of these isomers was performed on the basis of their UV/vis spectroscopic features in the mobile phase. In quantitative terms, it was observed that all-E-lutein epoxide was the major carotenoid and that there were also high amounts of the (9Z)- and (9'Z)-isomers, although the latter may be an artifact.

  10. Isomeric and high-spin states of 94Tc and the search for yrast isomers near N~50

    Science.gov (United States)

    Lee, I. Y.; Johnson, N. R.; McGowan, F. K.; Young, G. R.; Guidry, M. W.; Yates, S. W.

    1981-07-01

    A search for isomers in the N~50 region has produced no evidence of high-spin yrast isomerism. A new 4.5-ns low-multiplicity isomer has been identified and assigned to 94Tc, while the yrast sequence of 94Tc has been established to more than 5 MeV in excitation energy. [NUCLEAR REACTIONS 76Ge, 78Se(20Ne,xnypγ), E=80.9 MeV, 89Y, 93Nb(10B,xnypγ), E=52.0,58.4,62.8 MeV; measured Eγ, Iγ, γ-γ prompt and delayed coin, γ-X coin; deduced levels, t12 of 94Tc isomer, yrast states.

  11. Measurements of quadrupole interaction frequencies of long-lived isomers with the level mixing spectroscopy (LEMS) method

    International Nuclear Information System (INIS)

    Neyens, G.; Nouwen, R.; S'heeren, G.; Bergh, M. van den; Coussement, R.

    1993-01-01

    The level mixing spectroscopy (LEMS) method has proven to be a very useful method to determine the quadrupole interaction frequency of an isomer in a solid host. Especially in the 'difficult' cases, e.g. when the isomeric lifetime is very long or its spin is very high, the method yields valuable information which is not accessible with other methods (such as TDPAD). Since the development of the method some years ago, many experiments have been performed on high spin isomers in the lead region. The static quadrupole moment of isomers with lifetimes ranging from 20 ns up to 13 ms and spins up to 65/2h have been determined in neutron deficient isotopes of Bi, At, Fr and Ra. (orig.)

  12. Trans fatty acids: chemical synthesis of eicosapentaenoic acid isomers and detection in rats fed a deodorized fish oil diet.

    Science.gov (United States)

    Ferreri, Carla; Grabovskiy, Stanislav A; Aoun, Manar; Melchiorre, Michele; Kabal'nova, Natalia; Feillet-Coudray, Christine; Fouret, Gilles; Coudray, Charles; Chatgilialoglu, Chryssostomos

    2012-03-19

    Eicosapentaenoic acid (EPA) is a polyunsaturated fatty acid present in fish oils used for omega-3 enriched diets. The natural cis double bond geometry can be transformed to the trans configuration during the deodorization process utilized in the food industry. The analytical discrimination of the possible five monotrans regioisomers represents a limiting step for the recognition and structure-activity relationship in connection with the harmful effects of trans fatty acids in health. We carried out a dual synthetic strategy, providing new access to monotrans EPA isomers and valuable information on GC and NMR characteristics for further applications in metabolomics and lipidomics. This small library was used as an analytical reference for isomer determination in deodorized fish oils and the follow-up of rats fed fish oil diets, evidencing for the first time that monotrans EPA isomers are incorporated in liver mitochondrial membranes after dietary intake. © 2012 American Chemical Society

  13. Even-odd alternation of the formation of dimer isomers in irradiated polycrystalline alkanes: evidence from product analysis

    International Nuclear Information System (INIS)

    Baudson, T.; Tilquin, B.

    1984-01-01

    Recent ESR studies on n-alkanes from n-C 11 to n-C 25 have shown that a prominent chain end (-CH 2 -CH 2 ) alkyl radical is formed in odd members of the series. In this preliminary discussion of our study, we shall report the capillary chromatogram in the dimer isomers range for n-alkanes ranging from n-C 11 to n-C 17 irradiated at 80 kGy. Dimer isomers, produced in part by the combination of chain end radicals, are eluted at the end chromatogram. The combination of two chain end radicals gives the dimer (D 11 ) isomer eluted at the last place. It is shown that dimers produced by the combination of chain end alkyl radicals are more important for the odd members of the series than for the even members. (author)

  14. Study of the odd-${A}$, high-spin isomers in neutron-deficient trans-lead nuclei with ISOLTRAP

    CERN Multimedia

    Herfurth, F; Blaum, K; Beck, D; Kowalska, M; Schwarz, S; Stanja, J; Huyse, M L; Wienholtz, F

    We propose to measure the excitation energy of the $\\frac{13^{+}}{2}$ isomers in the neutron-deficient isotopes $^{193,195,197}$Po with the ISOLTRAP mass spectrometer. The assignment of the low- and high-spin isomers will be made by measuring the energy of the $\\alpha$- particles emitted in the decay of purified beams implanted in a windmill system. Using $\\alpha$-decay information, it is then also possible to determine the excitation energy of the similar isomers in the $\\alpha$-daughter nuclei $^{189,191,193}$Pb, $\\alpha$-parent nuclei $^{197,199,201}$Rn, and $\\alpha$-grand-parent nuclei $^{201,203,205}$Ra. The polonium beams are produced with a UC$_{\\textrm{x}}$ target and using the RILIS.

  15. On Determinants of Political Polarization

    OpenAIRE

    Grechyna, Daryna

    2015-01-01

    Political polarization has been shown to significantly influence a country's economic performance. However, little is known about the drivers of political polarization. In this article, we aim to identify the main determinants of political polarization using Bayesian Model Averaging to overcome the problem of model uncertainty. We find that the level of trust within a country and the degree of income inequality are the most robust determinants of political polarization.

  16. New K isomers in the neutron-rich N =100 isotones 162Sm, 163Eu, and 164Gd

    Science.gov (United States)

    Yokoyama, R.; Go, S.; Kameda, D.; Kubo, T.; Inabe, N.; Fukuda, N.; Takeda, H.; Suzuki, H.; Yoshida, K.; Kusaka, K.; Tanaka, K.; Yanagisawa, Y.; Ohtake, M.; Sato, H.; Shimizu, Y.; Baba, H.; Kurokawa, M.; Nishimura, D.; Ohnishi, T.; Iwasa, N.; Chiba, A.; Yamada, T.; Ideguchi, E.; Fujii, T.; Nishibata, H.; Ieki, K.; Murai, D.; Momota, S.; Sato, Y.; Hwang, J. W.; Kim, S.; Tarasov, O. B.; Morrissey, D. J.; Sherrill, B. M.; Simpson, G.; Praharaj, C. R.

    2017-03-01

    Very neutron-rich Z ˜60 isotopes produced by in-flight fission of a 345 MeV/nucleon 238U beam at the RI Beam Factory, RIKEN Nishina Center, have been studied by delayed γ -ray spectroscopy. New isomers were discovered in the neutron-rich N =100 isotones 162Sm, 163Eu, and 164Gd. Half-lives, γ -ray energies, and relative intensities of these isomers were obtained. Level schemes were proposed for these nuclei and the first 2+ and 4+ states were assigned for the even-even nuclei. The first 2+ and 4+ state energies decrease as the proton numbers get smaller. The energies and the half-lives of the new isomers are very similar to those of 4- isomers known in less neutron-rich N =100 isotones 168Er and 170Yb. A deformed Hartree-Fock with angular momentum projection model suggests Kπ=4- two-quasiparticle states with ν 7 /2 [633 ]⊗ν 1 /2 [521 ] configurations with similar excitation energy. The results suggest that neutron-rich N =100 nuclei are well deformed and the deformation gets larger as Z decreases to 62. The onset of K isomers with the same configuration at almost the same energy in N =100 isotones indicates that the neutron single-particle structures of neutron-rich isotones down to Z =62 do not change significantly from those of the Z =70 stable nuclei. Systematics of the excitation energies of new isomers can be explained without the predicted N =100 shell gap.

  17. Multiple Stimuli Responses of Stereo-Isomers of AIE-Active Ethynylene-Bridged and Pyridyl-Modified Tetraphenylethene.

    Science.gov (United States)

    Wang, Zhaoyang; Cheng, Xiao; Qin, Anjun; Zhang, Haoke; Sun, Jing Zhi; Tang, Ben Zhong

    2018-02-22

    Luminescent molecules with aggregation-induced emission (AIE) property or AIE-active luminogens (AIE-gens) are typical stimuli-responsive materials. Many AIE-gens have shown luminescent responses to mechano-, thermo-, electro-, vapo-, and/or solvato-stimulus, but the detailed structure-property relationship has been addressed for only a few of them. Here, we report a tetraphenylethene (TPE) derivative with pyridyl modifiers and ethynylene bridges. The (Z)- and (E)-isomers are clearly purified, and both of them are AIE-active and demonstrate multiple luminescent responses to external stimuli. Distinct from other reported TPE derivatives, the two isomers show negative solvatochromism due to the large dipole in the ground electronic state. By correlating with the single crystal structures, the subtle differences in quantum efficiency and emission peak wavelength of the solids of the (Z)- and (E)-isomers are rationally explained. Moreover, the ground powder of the (E)-isomer can recover its emission color from green to blue in the air at room temperature but the (Z)-isomer cannot. This difference is interpreted by a mechanism of water-triggered conformational variation, which depends on the hydrogen bond formation between pyridyl moieties and water molecules in the air. In addition to the reversible emission color changes by cyclic grinding-fuming treatments, both of the isomers exhibit a reversible luminescent response to acid-base treatments by switching the emission color between green (basic) and yellow (acid), owing to the incorporation of pyridyl units into the molecule. The unprecedented multiple stimuli-responsive behaviors and clear mechanism explanations allow this kind of AIE-gens to be promising smart materials.

  18. Organochlorine contaminants in arctic marine food chains: identification, geographical distribution, and temporal trends in polar bears

    Energy Technology Data Exchange (ETDEWEB)

    Norstrom, R.J.; Simon, M.; Muir, D.C.G.; Schweinsburg, R.E.

    1988-09-01

    Contamination of Canadian arctic and subarctic marine ecosystems by organochlorine (OC) compounds was measured by analysis of polar bear (Ursus maritimus) tissues collected from 12 zones between 1982 and 1984. PCB congeners (S-PCB), chlordanes, DDT and metabolites, chlorobenzenes (S-CBz), hexachlorocyclohexane isomers (S-HC-H), and dieldrin were identified by high-resolution gas chromatography-mass spectrometry. Nonachlor-III, a nonachlor isomer in technical chlordane, was positively identified for the first time as an environmental contaminant. S-PCB and S-CHLOR accounted for >80% of the total organochlorines in adipose tissue. Six PCB congeners constituted approximately 93% of S-PCB in polar bears. Levels of most OCs were lowest in the high Arctic, intermediate in Baffin Bay, and highest in Hudson Bay. Levels of ..cap alpha..-HCH were evaluated in zones influenced by surface runoff. Levels of S-CHLOR were four times higher and levels of the other OCs were two times higher in adipose tissue of bears from Hudson Bay and Baffin Bay in 1984 than in adipose tissue archived since 1969 from these areas; levels of S-DDT did not change.

  19. Polarized electrogowdy spacetimes censored

    Energy Technology Data Exchange (ETDEWEB)

    Nungesser, Ernesto, E-mail: ernesto.nungesser@aei.mpg.d [Max-Planck-Institut fuer Gravitationsphysik, Albert-Einstein-Institut, Am Muehlenberg 1, 14476 Potsdam (Germany)

    2010-05-01

    A sketch of the proof of strong cosmic censorship is presented for a class of solutions of the Einstein-Maxwell equations, those with polarized Gowdy symmetry. A key element of the argument is the observation that by means of a suitable choice of variables the central equations in this problem can be written in a form where they are identical to the central equations for general (i.e. non-polarized) vacuum Gowdy spacetimes. Using this it is seen that the results of Ringstroem on strong cosmic censorship in the vacuum case have implications for the Einstein-Maxwell case. Working out the geometrical meaning of these analytical results leads to the main conclusion.

  20. PEPPo: Using a Polarized Electron Beam to Produce Polarized Positrons

    Energy Technology Data Exchange (ETDEWEB)

    Adeyemi, Adeleke H. [Hampton Univ., Hampton, VA (United States); et al.

    2015-09-01

    Polarized positron beams have been identified as either an essential or a significant ingredient for the experimental program of both the present and next generation of lepton accelerators (JLab, Super KEK B, ILC, CLIC). An experiment demonstrating a new method for producing polarized positrons has been performed at the Continuous Electron Beam Accelerator Facility at Jefferson Lab. The PEPPo (Polarized Electrons for Polarized Positrons) concept relies on the production of polarized e⁻/e⁺ pairs from the bremsstrahlung radiation of a longitudinally polarized electron beam interacting within a high-Z conversion target. PEPPo demonstrated the effective transfer of spin-polarization of an 8.2 MeV/c polarized (P~85%) electron beam to positrons produced in varying thickness tungsten production targets, and collected and measured in the range of 3.1 to 6.2 MeV/c. In comparison to other methods this technique reveals a new pathway for producing either high-energy or thermal polarized positron beams using a relatively low polarized electron beam energy (~10MeV) .This presentation will describe the PEPPo concept, the motivations of the experiment and high positron polarization achieved.

  1. Polarization induced doped transistor

    Science.gov (United States)

    Xing, Huili; Jena, Debdeep; Nomoto, Kazuki; Song, Bo; Zhu, Mingda; Hu, Zongyang

    2016-06-07

    A nitride-based field effect transistor (FET) comprises a compositionally graded and polarization induced doped p-layer underlying at least one gate contact and a compositionally graded and doped n-channel underlying a source contact. The n-channel is converted from the p-layer to the n-channel by ion implantation, a buffer underlies the doped p-layer and the n-channel, and a drain underlies the buffer.

  2. Polar bears, Ursus maritimus

    Science.gov (United States)

    Rode, Karyn D.; Stirling, Ian

    2017-01-01

    Polar bears are the largest of the eight species of bears found worldwide and are covered in a pigment-free fur giving them the appearance of being white. They are the most carnivorous of bear species consuming a high-fat diet, primarily of ice-associated seals and other marine mammals. They range throughout the circumpolar Arctic to the southernmost extent of seasonal pack ice.

  3. Polarized advanced fuel reactors

    International Nuclear Information System (INIS)

    Kulsrud, R.M.

    1987-07-01

    The d- 3 He reaction has the same spin dependence as the d-t reaction. It produces no neutrons, so that if the d-d reactivity could be reduced, it would lead to a neutron-lean reactor. The current understanding of the possible suppression of the d-d reactivity by spin polarization is discussed. The question as to whether a suppression is possible is still unresolved. Other advanced fuel reactions are briefly discussed. 11 refs

  4. On polarization in biomembranes

    DEFF Research Database (Denmark)

    Zecchi, Karis Amata

    close to physiological conditions, making these effects biologically relevant. In this work, we consider the case of asymmetric membranes which can display spontaneous polarization in the absence of a field. Close to the phase transition, we find that the membrane displays piezoelectric, flexoelectric...... on different geometries point in the direction of a flexoelectric mechanism behind current rectification in lipid bilayers. Finally, we suggest that our updated equivalent circuit should be included in the interpretation of elctrophysiological data....

  5. Multifrequency Behaviour of Polars

    Directory of Open Access Journals (Sweden)

    K. Reinsch

    2015-02-01

    Full Text Available Cataclysmic variables emit over a wide range of the electromagnetic spectrum. In this paper I will review observations of polars in relevant passbands obtained during the last decade and will discuss their diagnostical potential to access the physics of the main components within the binary systems. This will include a discussion of intrinsic source variability and the quest for simultaneous multi-frequency observations.

  6. Polar Business Design

    Directory of Open Access Journals (Sweden)

    Sébastien Caisse

    2014-02-01

    Full Text Available Polar business design aims to enable entrepreneurs, managers, consultants, researchers, and business students to better tackle model-based analysis, creation, and transformation of businesses, ventures, and, more generically, collective endeavors of any size and purpose. It is based on a systems-thinking approach that builds on a few interrelated core concepts to create holistic visual frameworks. These core concepts act as poles linked by meaningful dyads, flows, and faces arranged in geometric shapes. The article presents two such polar frameworks as key findings in an ongoing analytic autoethnography: the three-pole Value−Activity−Stakeholder (VAS triquetra and the four-pole Offer−Creation−Character−Stakeholder (OCCS tetrahedron. The VAS triquetra is a more aggregated model of collective endeavors. The OCCS tetrahedron makes a trade-off between a steeper learning curve and deeper, richer representation potential. This article discusses how to use these two frameworks as well as their limits, and explores the potential that polar business design offers for future research.

  7. Detection of biologically active isomers of conjugated linoleic acid in kaymak

    Directory of Open Access Journals (Sweden)

    Ökten, Sevtap

    2005-12-01

    Full Text Available Numerous physiological effects are attributed to conjugated linoleic acids (CLA. Biologically active isomers of CLA ( cis -9, trans -11 (C18:2 and trans- 10, cis- 12 (C18:2 have been reported to have anticarcinogenic, antioxidative and antiatherosclerotic properties. Relatively rich sources of CLA include milk fat-containing foods such as kaymak. Kaymak is a kind of concentrated cream which is traditionally manufactured from buffalo or cow's milk mainly in Turkey . The objective of this study was to determine CLA concentrations during kaymak production. Kaymak was manufactured from cow's milk which was enriched with unfermented cream. Biologically active isomers of CLA in raw milk, cream and kaymak were analyzed using gas chromatography. The method was quick, repeatable and sensitive for the CLA determination of samples. Significant differences were found among the concentrations of both isomer and total CLA during the production process (pNumerosos efectos fisiológicos se atribuyen a los ácidos linoleico conjugados (CLA. Así los isómeros biológicamente activos ( cis -9, trans -11 (C18:2 y trans- 10, cis del ácido linoleico han sido descritos con propiedades anticarcinogénicas, antioxidantes y antiarterioscleróticas. Fuentes relativamente ricas de CLA incluyen alimentos con grasas lácteas tales como el kaymak. El kaymak es una crema concentrada elaborada de leche de búfalo o vaca principalmente en Turquía. El objetivo de este estudio fue la determinación de la concentración de CLA durante la producción de kaymak. El kaymak objeto de estudio fue elaborado a partir de leche de vaca que fue enriquecida con crema no fermentada. Los isómeros biológicamente activos del CLA fueron analizados por cromatografía gaseosa en leche cruda, crema y kaymak. El método empleado fue rápido, reproducible y sensible. Se encontraron diferencias significativas en las concentraciones de ambos isómeros y de CLA total durante el proceso de producci

  8. Trans fatty acid isomers and the trans-9/trans-11 index in fat containing foods

    Science.gov (United States)

    Kuhnt, Katrin; Baehr, Melanie; Rohrer, Carsten; Jahreis, Gerhard

    2011-01-01

    To determine trans fatty acid (TFA) distribution of contemporary foods, especially regarding individual trans octadecenoic acids (trans C18:1), 339 German foods of six categories (semi-solid fats, deep-fried potato products, bakery products, confectioneries, instant products and butter) were analysed using two GC methods. Results showed a high variation of TFA content between and within the categories containing between 0 and 40.5% of FAME except in butter, which is a source of natural TFA. The mean TFA values were below 2.0% of FAME, however, bakery products contained 4.5% and butter fat 3.2%, respectively. In addition, the distribution of individual trans C18:1 differed. In samples containing ruminant fat (butter and various confectioneries), vaccenic acid (t11-C18:1, t11) predominated, while in foods containing industrially hydrogenated fats, elaidic acid (trans-9, t9-) and t10-C18:1 were the major trans isomers.. This was reflected by a low t9/t11 index of 0.3 and 0.5 in butter and ruminant fat containing confectioneries, respectively, whilst the highest index was observed in shortenings and deep-fried potato products at 5.2 and 6.8, respectively. In conclusion, the TFA content of foods available on the German market is generally declining, but substantial variations are present. The t9/t11 index could be used as an indicator to determine ruminant fat. Practical applications: A number of studies provide evidence that a high TFA intake, particularly of industrial origin, adversely affects human health. The TFA content of foods could be reduced due to the introduction of several mandatory regulations and modifications regarding the hydrogenation process of oils. The most abundant dietary TFA are the isomers of trans C18:1. Unfortunately, the differentiation of these isomers is not yet very common, though the trans C18:1 profile differs depending on its origin (bacterial hydrogenation in the rumen or industrial hydrogenation). To date, data for TFA content

  9. Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomers.

    Science.gov (United States)

    Reva, Igor; Nowak, Maciej J; Lapinski, Leszek; Fausto, Rui

    2015-02-21

    Photoisomerization reactions of monomeric thiophenol have been investigated for the compound isolated in low-temperature argon matrices. The initial thiophenol population consists exclusively of the thermodynamically most stable thiol form. Phototransformations were induced by irradiation of the matrices with narrowband tunable UV light. Irradiation at λ > 290 nm did not induce any changes in isolated thiophenol molecules. Upon irradiation at 290-285 nm, the initial thiol form of thiophenol converted into its thione isomer, cyclohexa-2,4-diene-1-thione. This conversion occurs by transfer of an H atom from the SH group to a carbon atom at the ortho position of the ring. Subsequent irradiation at longer wavelengths (300-427 nm) demonstrated that this UV-induced hydrogen-atom transfer is photoreversible. Moreover, upon irradiation at 400-425 nm, the cyclohexa-2,4-diene-1-thione product converts, by transfer of a hydrogen atom from the ortho to para position, into another thione isomer, cyclohexa-2,5-diene-1-thione. The latter thione isomer is also photoreactive and is consumed if irradiated at λ atom-transfer isomerization reactions dominate the unimolecular photochemistry of thiophenol confined in a solid argon matrix. A set of low-intensity infrared bands, observed in the spectra of UV irradiated thiophenol, indicates the presence of a phenylthiyl radical with an H- atom detached from the SH group. Alongside the H-atom-transfer and H-atom-detachment processes, the ring-opening photoreaction occurred in cyclohexa-2,4-diene-1-thione by the cleavage of the C-C bond at the alpha position with respect to the thiocarbonyl C[double bond, length as m-dash]S group. The resulting open-ring conjugated thioketene adopts several isomeric forms, differing by orientations around single and double bonds. The species photogenerated upon UV irradiation of thiophenol were identified by comparison of their experimental infrared spectra with the spectra theoretically calculated for

  10. Carborane-stilbene dyads: the influence of substituents and cluster isomers on photoluminescence properties.

    Science.gov (United States)

    Ferrer-Ugalde, A; Cabrera-González, J; Juárez-Pérez, E J; Teixidor, F; Pérez-Inestrosa, E; Montenegro, J M; Sillanpää, R; Haukka, M; Núñez, R

    2017-02-14

    Two novel styrene-containing meta-carborane derivatives substituted at the second carbon cluster atom (C c ) with either a methyl (Me) or a phenyl (Ph) group are introduced herein along with a new set of stilbene-containing ortho- (o-) and meta- (m-) carborane dyads. The latter set of compounds have been prepared from styrene-containing carborane derivatives via a Heck coupling reaction. High regioselectivity has been achieved for these compounds by using a combination of palladium complexes [Pd 2 (dba) 3 ]/[Pd(t-Bu 3 P) 2 ] as a catalytic system, yielding exclusively E isomers. All compounds have been fully characterised and the crystal structures of seven of them were analysed by X-ray diffraction. The absorption spectra of these compounds are similar to those of their respective fluorophore groups (styrene or stilbene), showing a very small influence of the substituent (Me or Ph) linked to the second C c atom or the cluster isomer (o- or m-). On the other hand, fluorescence spectroscopy revealed high emission intensities for Me-o-carborane derivatives, whereas their Ph-o-carborane analogues evidenced an almost total lack of fluorescence, confirming the significant role of the substituent bound to the adjacent C c in o-carboranes. In contrast, all the m-carborane derivatives display similar photoluminescence (PL) behavior regardless of the substituent attached to the second C c , demonstrating its small influence on emission properties. Additionally, m-carborane derivatives are significantly more fluorescent than their o-counterparts, reaching quantum yield values as high as 30.2%. Regarding solid state emission, only stilbene-containing Ph-o-carborane derivatives, which showed very low fluorescence in solution, exhibited notable PL emission in films attributed to aggregation-induced emission. DFT calculations were performed to successfully complement the photoluminescence studies, supporting the experimentally observed photophysical behavior of the styrene and

  11. Preferential alkali metal adduct formation by cis geometrical isomers of dicaffeoylquinic acids allows for efficient discrimination from their trans isomers during ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry

    CSIR Research Space (South Africa)

    Makola, MM

    2016-03-01

    Full Text Available discrimination of the geometrical isomers of these molecules has proven to be an elusive task. UV-irradiated methanolic solutions of diCQA were analyzed using an ultra-high-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC...

  12. Influence of the geometric isomers on the radical scavenging properties of 3,5-dica®eoylquinic acid: A DFT study in vacuo and in solution

    CSIR Research Space (South Africa)

    Makola, MM

    2016-09-01

    Full Text Available that all the geometrical isomers are potent radical scavengers. The lowest O H bond dissociation enthalpy value (70.599 kcal/mol) corresponds to the trans–trans isomer and is comparable to that of gallic acid, a commercially available antioxidant...

  13. Gamma-ray Spectroscopy of Nano-second Isomers in Neutron-rich Ni Region Produced by Deep-inelastic Collisions

    Science.gov (United States)

    Ishii, Tetsuro; Asai, Masato; Kleinheinz, Peter; Matsuda, Makoto; Ichikawa, Shinichi; Makishima, Akiyasu; Ogawa, Masao

    2001-10-01

    We have been studying nuclear structure of neutron-rich nuclei produced by heavy-ion deep-inelastic collisions at the JAERI Tandem Booster facility. In our method using an `isomer-scope', γ-rays only from isomers with T_1/2 > 1ns are measured by shielding Ge detectors from prompt γ rays emitted at the target position. Atomic numbers of isomers can be also identified by detecting projectile-like fragments with Si Δ E-E detectors. Until now, we have found several new isomers in neutron-rich Ni region using about 8 MeV/nucleon ^70Zn, ^76Ge and ^82Se beams and a ^198Pt target of 4.3 mg/cm^2 thickness. In the doubly magic ^68_28Ni_40, the (ν g_9/2^2 ν p_1/2-2)8^+ isomer with T_1/2=23(1) ns was found. In its neighbor nuclei ^69,71Cu, the 19/2^- isomers were found and the energy levels decaying from the isomers can be calculated very accurately by a parameter-free shell model calculation using experimental energy levels as two-body residual interactions. I will also briefly discuss nano-second isomers in ^32,33Si and ^34P produced by 9 MeV/nucleon ^37Cl beams.

  14. Uncovering biologically significant lipid isomers with liquid chromatography, ion mobility spectrometry and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Kyle, Jennifer E.; Zhang, Xing; Weitz, Karl K.; Monroe, Matthew E.; Ibrahim, Yehia M.; Moore, Ronald J.; Cha, Jeeyeon; Sun, Xiaofei; Lovelace, Erica S.; Wagoner, Jessica; Polyak, Steve; Metz, Thomas O.; Dey, Sudhansu K.; Smith, Richard D.; Burnum-Johnson, Kristin E.; Baker, Erin Shammel

    2016-01-01

    Understanding how biological molecules are generated, metabolized and eliminated in living systems is important for interpreting processes such as immune response and disease pathology. While genomic and proteomic studies have provided vast amounts of information over the last several decades, interest in lipidomics has also grown due to improved analytical technologies revealing altered lipid metabolism in type 2 diabetes, cancer, and lipid storage disease. Liquid chromatography and mass spectrometry (LC-MS) measurements are currently the dominant approach for characterizing the lipidome by providing detailed information on the spatial and temporal composition of lipids. However, interpreting lipids’ biological roles is challenging due to the existence of numerous structural and stereoisomers (i.e. distinct acyl chain and double-bond positions), which are unresolvable using present LC-MS approaches. Here we show that combining structurally-based ion mobility spectrometry (IMS) with LC-MS measurements distinguishes lipid isomers and allows insight into biological and disease processes.

  15. Isolation by crystallization of translational isomers of a bistable donor-acceptor [2]catenane

    Science.gov (United States)

    Wang, Cheng; Olson, Mark A.; Fang, Lei; Benítez, Diego; Tkatchouk, Ekaterina; Basu, Subhadeep; Basuray, Ashish N.; Zhang, Deqing; Zhu, Daoben; Goddard, William A.; Stoddart, J. Fraser

    2010-01-01

    The template-directed synthesis of a bistable donor-acceptor [2]catenane wherein both translational isomers—one in which a tetrathiafulvalene unit in a mechanically interlocked crown ether occupies the cavity of a cyclobis(paraquat-p-phenylene) ring and the other in which a 1,5-dioxynaphthalene unit in the crown ether resides inside the cavity of the tetracationic cyclophane—exist in equilibrium in solution, has led to the isolation and separation by hand picking of single crystals colored red and green, respectively. These two crystalline co-conformations have been characterized separately at both the molecular and supramolecular levels, and also by dynamic NMR spectroscopy in solution where there is compelling evidence that the mechanically interlocked molecules are present as a complex mixture of translational, configurational, and conformational isomers wherein the isomerization is best described as being a highly dynamic and adaptable phenomenon. PMID:20663950

  16. Dissociative electron attachment to nitroaromatic compounds - resonances as fingerprints for isomers

    Energy Technology Data Exchange (ETDEWEB)

    Sulzer, P [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Mauracher, A [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Denifl, S [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Zappa, F [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Ptasinska, S [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Rondino, F [Dip. di Studi di Chimica e Tecnologia delle Sostanze Biologicamente Attive, University ' La Sapienza' , P.le Aldo Moro 5, I-00185 Rome (Italy); Scheier, P [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Maerk, T D [Institut fuer Ionenphysik und Angewandte Physik and Center for Molecular Biosciences Innsbruck, Leopold-Franzens Universitaet Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria)

    2007-11-15

    We present detailed free electron attachment measurements on nitroaromatic compounds in the gas phase. It turns out that dissociative electron attachment can act as a selective and sensitive probe for the identification of isomeric forms of nitrotoluene and dinitrobenzene. Rich fragmentation patterns have been observed for both nitroaromates and all fragments above the detection limit of our instrument have been investigated with a high energy resolution electron monochromator in the energy range of about 0 to 15 eV. It is shown that relative attachment cross section curves can act as fingerprints for the particular molecule and its isomers. Additionally it has been observed that numerous fragments arise from surprisingly complex structural and electronic rearrangements.

  17. The Multiplexed Chemical Kinetic Photoionization Mass Spectrometer: A New Approach To Isomer-resolved Chemical Kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Osborne, David L.; Zou, Peng; Johnsen, Howard; Hayden, Carl C.; Taatjes, Craig A.; Knyazev, Vadim D.; North, Simon W.; Peterka, Darcy S.; Ahmed, Musahid; Leone, Stephen R.

    2008-08-28

    We have developed a multiplexed time- and photon-energy?resolved photoionizationmass spectrometer for the study of the kinetics and isomeric product branching of gasphase, neutral chemical reactions. The instrument utilizes a side-sampled flow tubereactor, continuously tunable synchrotron radiation for photoionization, a multi-massdouble-focusing mass spectrometer with 100percent duty cycle, and a time- and positionsensitive detector for single ion counting. This approach enables multiplexed, universal detection of molecules with high sensitivity and selectivity. In addition to measurement of rate coefficients as a function of temperature and pressure, different structural isomers can be distinguished based on their photoionization efficiency curves, providing a more detailed probe of reaction mechanisms. The multiplexed 3-dimensional data structure (intensity as a function of molecular mass, reaction time, and photoionization energy) provides insights that might not be available in serial acquisition, as well as additional constraints on data interpretation.

  18. Cold Electron Reactions Producing the Energetic Isomer of Hydrogen Cyanide in Interstellar Clouds

    Science.gov (United States)

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Heber, Oded; Jordon-Thaden, Brandon; Krantz, Claude; Novotný, Oldřich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Rappaport, Michael L.; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stützel, Julia; Zajfman, Daniel; Wolf, Andreas

    2012-02-01

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH+ with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND+ with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH+ will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  19. COLD ELECTRON REACTIONS PRODUCING THE ENERGETIC ISOMER OF HYDROGEN CYANIDE IN INTERSTELLAR CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Jordon-Thaden, Brandon; Krantz, Claude; Novotny, Oldrich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stuetzel, Julia; Wolf, Andreas [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, 69117 Heidelberg (Germany); Heber, Oded; Rappaport, Michael L.; Zajfman, Daniel, E-mail: A.Wolf@mpi-hd.mpg.de [Weizmann Institute of Science, P.O. Box 26, 76100 Rehovot (Israel)

    2012-02-10

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH{sup +} with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND{sup +} with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH{sup +} will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  20. COLD ELECTRON REACTIONS PRODUCING THE ENERGETIC ISOMER OF HYDROGEN CYANIDE IN INTERSTELLAR CLOUDS

    International Nuclear Information System (INIS)

    Mendes, Mario B.; Buhr, Henrik; Berg, Max H.; Froese, Michael; Grieser, Manfred; Jordon-Thaden, Brandon; Krantz, Claude; Novotný, Oldřich; Novotny, Steffen; Orlov, Dmitry A.; Petrignani, Annemieke; Repnow, Roland; Schwalm, Dirk; Shornikov, Andrey; Stützel, Julia; Wolf, Andreas; Heber, Oded; Rappaport, Michael L.; Zajfman, Daniel

    2012-01-01

    Using event-by-event fragment momentum spectroscopy in a storage-ring merged-beams experiment, we find laboratory evidence that in the dissociative recombination (DR) of HCNH + with cold electrons the energetic isomer HNC is produced with a high yield, similar to that of HCN. With a newly implemented mass-sensitive fragment imaging detector, we analyze the kinetic energy release of the triatomic fragments DCN/DNC from the DR reaction of the isotopologue DCND + with cold (near 10 K) electrons. The results show that the internal energy of these fragments is extremely high, far exceeding the isomerization barrier between DNC and DCN. From this laboratory characterization of the DR reaction we conclude that also the triatomic fragment HCN/HNC from the DR of HCNH + will carry a large amount of ro-vibrational excitation and show that this implies an isomeric production ratio in a narrow range near unity.

  1. Isomers and oblate collectivity at high spin in neutron-rich Pt isotopes

    Directory of Open Access Journals (Sweden)

    Tandel S.K.

    2016-01-01

    Full Text Available Isomers and high-spin structures with rotation-aligned oblate configurations have been studied in several Pt isotopes. The 12+ states in the even Pt isotopes from 192–198Pt are found to be metastable, and have (i13/22 neutron character. The progression of E2 transition probabilities from the 12+ to 10+ states across the Pt isotopic chain implies reduction in collectivity, followed by an abrupt decrease at N=120 (198Pt. This behavior is quite distinct from the gradual decrease of B(E2 values near the respective ground states. A large contribution from aligned angular momentum, to the rotational sequences built on the 12+ states, is visible. This is due to the relatively small crossing frequencies for nucleons in low-Ω orbitals at oblate deformation in comparison to higher values for prolate shapes. As a result, oblate rotation is found to be increasingly favored for higher neutron numbers.

  2. Four-quasiparticle isomers and K-forbidden transitions in 176Lu

    International Nuclear Information System (INIS)

    McGoram, T.R.; Dracoulis, G.D.; Kibedi, T.; Mullins, M.; Byrne, A.P.; Baxter, A.M.

    2000-01-01

    Full text: The odd-odd nucleus 176 Lu has been the subject of extensive experimental and theoretical investigation over the last forty years. Much of this interest has stemmed from the role of 176 Lu in the s-process in nucleosynthesis. From a nuclear structure perspective, 176 Lu resides in a region of the nuclear chart where collective rotation and high-K, multi-quasiparticle states compete to form the yrast line (the locus of state with the lowest energy at a given angular momentum). The electromagnetic decay of intermediate and high-K states is often hindered due to the K-selection rule, while apparent violations of this selection rule have been ascribed to Coriolis mixing, shape changes in the gamma-degree of freedom, and so-called 'statistical' mixing. The relative importance of these mechanisms remains an open question. We present here the results of gamma-ray and conversion-electron spectroscopic measurements, performed at the Heavy Ion Facility at the Australian National University in Canberra, using the reaction 176 Yb( 7 Li, α3n) at a beam energy of 45 MeV. Two new four-quasiparticle isomers have been established, with mean lives of 400(100)ns and 58(5)μs, and spin projections and parities of 12 + and (14 + ) respectively. The shorter--lived isomer displays both normal and anomalous K-forbidden decays, which we show is the result of two-state mixing between the isomeric state and a member of a two-quasiparticle rotational band. The implied mixing matrix element of only 5 eV shows explicitly that very small mixing matrix elements may be responsible for anomalous K-hindered decays

  3. Isomer depletion as experimental evidence of nuclear excitation by electron capture

    Science.gov (United States)

    Chiara, C. J.; Carroll, J. J.; Carpenter, M. P.; Greene, J. P.; Hartley, D. J.; Janssens, R. V. F.; Lane, G. J.; Marsh, J. C.; Matters, D. A.; Polasik, M.; Rzadkiewicz, J.; Seweryniak, D.; Zhu, S.; Bottoni, S.; Hayes, A. B.; Karamian, S. A.

    2018-02-01

    The atomic nucleus and its electrons are often thought of as independent systems that are held together in the atom by their mutual attraction. Their interaction, however, leads to other important effects, such as providing an additional decay mode for excited nuclear states, whereby the nucleus releases energy by ejecting an atomic electron instead of by emitting a γ-ray. This ‘internal conversion’ has been known for about a hundred years and can be used to study nuclei and their interaction with their electrons. In the inverse process—nuclear excitation by electron capture (NEEC)—a free electron is captured into an atomic vacancy and can excite the nucleus to a higher-energy state, provided that the kinetic energy of the free electron plus the magnitude of its binding energy once captured matches the nuclear energy difference between the two states. NEEC was predicted in 1976 and has not hitherto been observed. Here we report evidence of NEEC in molybdenum-93 and determine the probability and cross-section for the process in a beam-based experimental scenario. Our results provide a standard for the assessment of theoretical models relevant to NEEC, which predict cross-sections that span many orders of magnitude. The greatest practical effect of the NEEC process may be on the survival of nuclei in stellar environments, in which it could excite isomers (that is, long-lived nuclear states) to shorter-lived states. Such excitations may reduce the abundance of the isotope after its production. This is an example of ‘isomer depletion’, which has been investigated previously through other reactions, but is used here to obtain evidence for NEEC.

  4. Cool diffusion flames of butane isomers activated by ozone in the counterflow

    KAUST Repository

    Alfazazi, Adamu

    2018-02-02

    Ignition in low temperature combustion engines is governed by a coupling between low-temperature oxidation kinetics and diffusive transport. Therefore, a detailed understanding of the coupled effects of heat release, low-temperature oxidation chemistry, and molecular transport in cool flames is imperative to the advancement of new combustion concepts. This study provides an understanding of the low temperature cool flame behavior of butane isomers in the counterflow configuration through the addition of ozone. The initiation and extinction limits of butane isomers’ cool flames have been investigated under a variety of strain rates. Results revealed that, with ozone addition, establishment of butane cool diffusion flames was successful at low and moderate strain rates. iso-Butane has lower reactivity than n-butane, as shown by higher fuel mole fractions needed for cool flame initiation and lower extinction strain rate limits. Ozone addition showed a significant influence on the initiation and sustenance of cool diffusion flames; as ozone-less cool diffusion flame of butane isomers could not be established even at high fuel mole fractions. The structure of a stable n-butane cool diffusion flame was qualitatively examined using a time of flight mass spectrometer. Numerical simulations were performed using a detailed chemical kinetic model and molecular transport to simulate the extinction limits of the cool diffusion flames of the tested fuels. The model qualitatively captured experimental trends for both fuels and ozone levels, but over-predicted extinction limits of the flames. Reactions involving low-temperature species predominantly govern extinction limits of cool flames. The simulations were used to understand the effects of methyl branching on the behavior of n-butane and iso-butane cool diffusion flames.

  5. Charge isomers of myelin basic protein: structure and interactions with membranes, nucleotide analogues, and calmodulin.

    Directory of Open Access Journals (Sweden)

    Chaozhan Wang

    Full Text Available As an essential structural protein required for tight compaction of the central nervous system myelin sheath, myelin basic protein (MBP is one of the candidate autoantigens of the human inflammatory demyelinating disease multiple sclerosis, which is characterized by the active degradation of the myelin sheath. In this work, recombinant murine analogues of the natural C1 and C8 charge components (rmC1 and rmC8, two isoforms of the classic 18.5-kDa MBP, were used as model proteins to get insights into the structure and function of the charge isomers. Various biochemical and biophysical methods such as size exclusion chromatography, calorimetry, surface plasmon resonance, small angle X-ray and neutron scattering, Raman and fluorescence spectroscopy, and conventional as well as synchrotron radiation circular dichroism were used to investigate differences between these two isoforms, both from the structural point of view, and regarding interactions with ligands, including calmodulin (CaM, various detergents, nucleotide analogues, and lipids. Overall, our results provide further proof that rmC8 is deficient both in structure and especially in function, when compared to rmC1. While the CaM binding properties of the two forms are very similar, their interactions with membrane mimics are different. CaM can be used to remove MBP from immobilized lipid monolayers made of synthetic lipids--a phenomenon, which may be of relevance for MBP function and its regulation. Furthermore, using fluorescently labelled nucleotides, we observed binding of ATP and GTP, but not AMP, by MBP; the binding of nucleoside triphosphates was inhibited by the presence of CaM. Together, our results provide important further data on the interactions between MBP and its ligands, and on the differences in the structure and function between MBP charge isomers.

  6. Structures, stabilities, aromaticity, and electronic properties of C66 fullerene isomers, anions (C662-, C664-, C666-), and metallofullerenes (Sc2-C66)

    International Nuclear Information System (INIS)

    Cui Yanhong; Tian, Wei Quan; Feng Jikang; Chen Deli

    2010-01-01

    Among all the 4478 classical isomers of C 66 , C 66 (C s :0060) with the lowest number of pentagon-pentagon fusions was predicted to be the most stable isomer, followed by isomers C 66 (C 2v :0011) and C 66 (C 2 :0083). The infrared spectra and aromaticity of the most stable isomers were predicted. The relative stabilities of C 66 isomers change with charges or doping of metals. The structures and relative stabilities of the most stable metallofullerenes were delineated and compared with experiment. Sc 2 -C 66 (C 2 :0083) was predicted to be the most stable metallofullerene, although Sc 2 -C 66 (C 2v :0011) was observed. Charge-transfer from Sc 2 to the fused pentagons and the bonding between these two moieties significantly decrease the strain energies caused by the pair of fused pentagons thereby stabilizing the fullerene cage.

  7. Identification of isomers in the gas phase and as adsorbates by near-edge X-ray absorption fine structure spectroscopy: Cis- and trans-stilbene

    International Nuclear Information System (INIS)

    Püttner, Ralph; Schmidt-Weber, Philipp; Kampen, Thorsten; Kolczewski, Christine; Hermann, Klaus; Horn, Karsten

    2017-01-01

    Highlights: • NEXAFS spectra of the cis- and trans-isomer of stilbene reveal distinct differences by which the isomers can be distinguished. • DFT calculations using the transition potential approach assign specific transitions that are different in the two isomers. • On Si(100), these differences in NEXAFS are also observed, suggesting that their conformations survive in the bonding situation. • NEXAFS is thus shown to be a sensitive tool to distinguish isomers in adsorbed species. - Abstract: Near-edge x-ray absorption fine structure spectra of the cis- and trans-isomers of stilbene in the gas phase reveal clear differences, which are analyzed by results from density-functional theory calculations using the transition potential approach. The differences between the two species also occur in stilbene adsorbed on Si(100), opening the way towards studying structural changes in molecules in different surface environments, and configurational switching in organic molecules on surfaces in particular.

  8. Analysis of (all-E)-lutein and its (Z)-isomers during illumination in a model system.

    Science.gov (United States)

    Li, Dajing; Xiao, Yadong; Zhang, Zhongyuan; Liu, Chunquan

    2014-11-01

    Light induced-isomerization of (all-E)-lutein in organic solvent and starch model systems was investigated. Lutein and its (Z)-isomers were separated by HPLC using a C30 column and gradient mobile phase based on methanol-methyl-tert-butyl ether-water in 24min. (All-E)-lutein and twelve (Z)-isomers of lutein, in addition a small amount of (all-E)-zeaxanthin and (9Z, 9'Z)-zeaxanthin were identified by HPLC-DAD-APCI-MS. Five di-(Z)-luteins were identified for the first time, namely, (9Z, 9'Z)-, (9Z, 13Z)/(9 Z, 13'Z)-, (13Z, 15Z)- and (9Z, 15Z)-lutein and (9Z, 9'Z)-zeaxanthin. A mixture of (9Z)-lutein and of (9'Z)-lutein was the main product of the iodine-catalyzed photo-isomerization. (9Z, 13Z)/(9Z, 13'Z)-lutein were the major di-(Z)-isomers of lutein formed. The susceptibility of lutein to degradation was much less under dark storage than under lighted storage in starch model system. Isomerization and degradation of lutein and its (Z)-isomers proceeded simultaneously in all the model systems. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Redondo, Pilar; Largo, Antonio; Vega-Vega, Álvaro; Barrientos, Carmen, E-mail: cbb@qf.uva.es [Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid (Spain)

    2015-05-14

    The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader’s quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN ({sup 1}Σ) and hydrideisocyanidezinc HZnNC ({sup 1}Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn]{sup +} composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn{sup +} ({sup 2}Σ) and HCNZn{sup +} ({sup 2}Σ)

  10. Urocanic acid isomers are good hydroxyl radical scavengers: a comparative study with structural analogues and with uric acid

    NARCIS (Netherlands)

    Kammeyer, A.; Eggelte, T. A.; Bos, J. D.; Teunissen, M. B.

    1999-01-01

    UV-exposure of the epidermis leads to the isomerisation of trans-UCA into cis-UCA as well as to the generation of hydroxyl radicals. This study shows by means of the deoxyribose degradation test that UCA isomers are more powerful hydroxyl radical scavengers than the other 4-(5-)substituted imidazole

  11. Medium-spin levels and the character of the 20.4 ns 13/2+ isomer in 145Gd

    International Nuclear Information System (INIS)

    Pakkanen, A.; Muhonen, J.; Piiparinen, M.

    1981-06-01

    Levels of the N = 81 nucleus 145 Gd have been investigated by in-beam γ-ray and conversion electron spectroscopy with the 144 Sm( 3 He,2n) reaction. Fourteen new low- and medium-spin states between 1.0 and 2.4 MeV excitation, the known yrast levels up to spin (21/2) + , five other high-spin non-yrast states and a new 20.4 ns (13/2) + isomer at 2200.2 keV in 145 Gd have been observed. The isomer decays via a fast 927.3 keV E3 transition with B(E3) = 48 +- 7 W.u. Another weaker decay branch is a mixed, strongly hindered E1+M2+E3 transition to the νhsub(11/2)sup(-1) state. We propose an octupole νfsub(7/2)jsub(0)sup(-2)x3 - main configuration for the isomer, analogous to the 997 keV (13/2) + isomer in 147 Gd. The levels of 145 Gd are discussed on the basis of the spherical shell model. (author)

  12. Improved Resolution of Hydrocarbon Structures and Constitutional Isomers in Complex Mixtures Using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Isaacman, Gabriel [Univ. of California, Berkeley, CA (United States); Wilson, Kevin R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Chan, Arthur W. H. [Univ. of California, Berkeley, CA (United States); Worton, David R. [Univ. of California, Berkeley, CA (United States). Aerosol Dynamics Inc., Berkeley, CA (United States); Kimmel, Joel R. [Aerodyne Research, Inc., Billerica, MA (United States); Univ. of Colorado, Boulder, CO (United States). Tofwerk AG, Thun (Switzerland); Nah, Theodora [Univ. of California, Berkeley, CA (United States); Hohaus, Thorsten [Aerodyne Research, Inc., Billerica, MA (United States); Gonin, Marc [Tofwerk AG, Thun (Switzerland); Kroll, Jesse H. [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Worsnop, Douglas R. [Aerodyne Research, Inc., Billerica, MA (United States); Goldstein, Allen H. [Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2012-01-30

    Understanding the composition of complex hydrocarbon mixtures is important for environmental studies in a variety of fields, but many prevalent compounds cannot be confidently identified using traditional gas chromatography/mass spectrometry (GC/MS) techniques. In this study, we use vacuum-ultraviolet (VUV) ionization to elucidate the structures of a traditionally “unresolved complex mixture” by separating components by GC retention time, tR, and mass-to-charge ratio, m/z, which are used to determine carbon number, NC, and the number of rings and double bonds, NDBE. Constitutional isomers are resolved on the basis of tR, enabling the most complete quantitative analysis to date of structural isomers in an environmentally relevant hydrocarbon mixture. Unknown compounds are classified in this work by carbon number, degree of saturation, presence of rings, and degree of branching, providing structural constraints. The capabilities of this analysis are explored using diesel fuel, in which constitutional isomer distribution patterns are shown to be reproducible between carbon numbers and follow predictable rules. Nearly half of the aliphatic hydrocarbon mass is shown to be branched, suggesting branching is more important in diesel fuel than previously shown. Lastly, the classification of unknown hydrocarbons and the resolution of constitutional isomers significantly improves resolution capabilities for any complex hydrocarbon mixture.

  13. Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects.

    Science.gov (United States)

    Fagiani, Matias R; Knorke, Harald; Esser, Tim K; Heine, Nadja; Wolke, Conrad T; Gewinner, Sandy; Schöllkopf, Wieland; Gaigeot, Marie-Pierre; Spezia, Riccardo; Johnson, Mark A; Asmis, Knut R

    2016-09-29

    We use cryogenic ion trap vibrational spectroscopy to study the structure of the protonated water pentamer, H + (H 2 O) 5 , and its fully deuterated isotopologue, D + (D 2 O) 5 , over nearly the complete infrared spectral range (220-4000 cm -1 ) in combination with harmonic and anharmonic electronic structure calculations as well as RRKM modelling. Isomer-selective IR-IR double-resonance measurements on the H + (H 2 O) 5 isotopologue establish that the spectrum is due to a single constitutional isomer, thus discounting the recent analysis of the band pattern in the context of two isomers based on AIMD simulations 〈W. Kulig and N. Agmon, Phys. Chem. Chem. Phys., 2014, 16, 4933-4941〉. The evolution of the persistent bands in the D + (D 2 O) 5 cluster allows the assignment of the fundamentals in the spectra of both isotopologues, and the simpler pattern displayed by the heavier isotopologue is consistent with the calculated spectrum for the branched, Eigen-based structure originally proposed 〈J.-C. Jiang, et al., J. Am. Chem. Soc., 2000, 122, 1398-1410〉. This pattern persists in the vibrational spectra of H + (H 2 O) 5 in the temperature range from 13 K up to 250 K. The present study also underscores the importance of considering nuclear quantum effects in predicting the kinetic stability of these isomers at low temperatures.

  14. Communication: Supramolecular structures in monohydroxy alcohols: Insights from shear-mechanical studies of a systematic series of octanol structural isomers

    DEFF Research Database (Denmark)

    Hecksher, Tina; Jakobsen, Bo

    2014-01-01

    response, also has a mechanical signature. In this work, we apply broadband shear-mechanical spectroscopy to a systematic series of octanol structural isomers, x-methyl-3-heptanol (with x ranging from 2 to 6). We find that the characteristics of the mechanical signature overall follow the systematic...

  15. Effects on thyroid hormone and retinoid metabolism in transthyretin-null mice by polychlorinated biphenyl isomers 118 and 114

    Energy Technology Data Exchange (ETDEWEB)

    Nishimura, N.; Yonemoto, J.; Takeuchi, Y.; Yokoi, C.; Tohyama, C. [National Inst. for Environmental Studies, Tsukuba (Japan)

    2004-09-15

    Some congeners/isomers of polychlorinated biphenyls (PCBs) and their metabolites are known to disturb thyroid and retinoid metabolism in laboratory animals and humans. Among 209 isomers of PCBs, 12 PCB isomers termed as the coplanar PCBs are grouped into dioxin-like chemicals based on their resemblance of toxic effects and mechanism(s) to dioxins. Mechanism(s) of toxicity by the dioxin-like chemicals have been established to be mediated through aryl hydrocarbon receptor (AhR). The toxic potency of each congener/isomer of dioxin-like chemicals has been evaluated by relative potency to 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) as the toxic equivalent factor (TEF). Because dioxins in environments are generally distributed as mixtures, the toxic equivalency (TEQ) concept has been adopted to evaluate the health risk of exposure to complex environmental mixtures. TEQ values are calculated by multiplication of the sum of the chemical concentrations by the corresponding TEF values. The present study was undertaken to investigate the effects of two coplanar PCBs, PCB118, highly detected in human tissues and milk (TEF value: 0.0001), and PCB114 (TEF value: 0.0005) on thyroid hormone and retinoid metabolism. Possible involvement of transthyretin (TTR), the principal carrier of thyroid hormone and retinol-binding protein in the rodent, in PCBs-induced disruption of thyroid and retinoid homeostasis was investigated.

  16. Isomerization of vaccenic acid to cis and trans C18:1 isomers during biohydrogenation by rumen microbes.

    Science.gov (United States)

    Laverroux, S; Glasser, F; Gillet, M; Joly, C; Doreau, M

    2011-09-01

    In ruminants, cis and trans C18:1 isomers are intermediates of fatty acid transformations in the rumen and their relative amounts shape the nutritional quality of ruminant products. However, their exact synthetic pathways are unclear and their proportions change with the forage:concentrate ratio in ruminant diets. This study traced the metabolism of vaccenic acid, the main trans C18:1 isomer found in the rumen, through the incubation of labeled vaccenic acid with mixed ruminal microbes adapted to different diets. [1-(13)C]trans-11 C18:1 was added to in vitro cultures with ruminal fluids of sheep fed either a forage or a concentrate diet. (13)C enrichment in fatty acids was analyzed by gas-chromatography-mass spectrometry after 0, 5 and 24 h of incubation. (13)C enrichment was found in stearic acid and in all cis and trans C18:1 isomers. Amounts of (13)C found in fatty acids showed that 95% of vaccenic acid was saturated to stearic acid after 5 h of incubation with the concentrate diet, against 78% with the forage diet. We conclude that most vaccenic acid is saturated to stearic acid, but some is isomerized to all cis and trans C18:1 isomers, with probably more isomerization in sheep fed a forage diet.

  17. Relaciones entre pruebas de velocidad, tests de salto y dinamometría isométrica en velocistas

    Directory of Open Access Journals (Sweden)

    Rafael Sabido Solana

    2010-09-01

    Full Text Available Dentro de las habilidades deportivas, la capacidad de producir fuerza lo más rápidamente posible, o fuerza explosiva, juega el papel más importante en la optimización de dichas habilidades. Zatsiorsky (1995 la define como “la habilidad para desarrollar la máxima fuerza en la menor cantidad de tiempo”. Las correlaciones existentes entre pruebas de velocidad y tests de salto han sido ampliamente observadas. Sin embargo, las correlaciones entre pruebas de velocidad y tests isométricos están menos estudiadas. Una muestra de 24 velocistas de categoría junior fue sometida a pruebas de velocidad específica, tests de salto con contramovimiento y en profundidad, así como a un test isométrico máximo para la musculatura extensora del tobillo. Los resultados muestran fuertes relaciones entre los tests de carrera y los de salto, así como de estos últimos con los de dinamometría. Por otro lado, sólo con el test de 20 metros se obtienen correlaciones con variables del test isométrico, sin que se encuentren correlaciones con la marca en 100 metros lisos. La principal conclusión de nuestros datos es que las variables medidas en un test isométrico van a tener alta relación con la primera fase de la carrera en pruebas de velocidad.

  18. Spectrophotometric thermodynamic study of orientational isomers formed by inclusion of methyl orange into β-cyclodextrin nanocavity

    DEFF Research Database (Denmark)

    Kompany Zare, Mohsen; Mokhtari, Zeinab; Abdollahi, Hamid

    2012-01-01

    Spectrophotometry has been used to investigate the interaction of methyl orange (MO), an azo dye as a guest, with β-cyclodextrin (CD) as the host. Inclusion of methyl orange into β-cyclodextrin nanocavity leads to two orientational isomers, so-called inclumers, because of the asymmetric structure...

  19. Circularly polarized antennas

    CERN Document Server

    Gao, Steven; Zhu, Fuguo

    2013-01-01

    This book presents a comprehensive insight into the design techniques for different types of CP antenna elements and arrays In this book, the authors address a broad range of topics on circularly polarized (CP) antennas. Firstly, it introduces to the reader basic principles, design techniques and characteristics of various types of CP antennas, such as CP patch antennas, CP helix antennas, quadrifilar helix antennas (QHA), printed quadrifilar helix antennas (PQHA), spiral antenna, CP slot antennas, CP dielectric resonator antennas, loop antennas, crossed dipoles, monopoles and CP horns. Adva

  20. Plasma polarization spectroscopy

    CERN Document Server

    Iwamae, Atsushi

    2008-01-01

    Plasma Polarization Spectroscopy (PPS) is now becoming a standard diagnostic technique for working with laboratory plasmas. This new area needs a comprehensive framework, both experimental and theoretical. This book reviews the historical development of PPS, develops a general theoretical formulation to deal with this phenomenon, along with an overview of relevant cross sections, and reports on laboratory experiments so far performed. It also includes various facets that are interesting from this standpoint, e.g. X-ray lasers and effects of microwave irradiation. It also offers a timely discussion of instrumentation that is quite important in a practical PPS experiment.

  1. System for measuring the proton polarization in a polarized target

    International Nuclear Information System (INIS)

    Karnaukhov, I.M.; Lukhanin, A.A.; Telegin, Yu.N.; Trotsenko, V.I.; Chechetenko, V.F.

    1984-01-01

    The system for measuring the proton polarization in a polarized target representing the high-sensitivity nuclear magnetic resonance (NMR) is described Q-meter with series connection and a circuit for measuring system resonance characteristic is used for NMR-absorption signal recording. Measuring coil is produced of a strip conductor in order to obtain uniform system sensitivity to polarization state in all target volume and improve signal-to-noise ratio. Polarization measuring system operates ion-line with the M-6000 computer. The total measuring error for the value of free proton polarization in target taking into account the error caused by local depolarization of working substance under irradiation by high-intense photon beam is <= 6%. Long-term application of the described system for measuring the proton polarization in the LUEh-20000 accelerator target used in the pion photoproduction experiments has demonstrated its high reliability

  2. Isomer-specific analysis of nonylphenols with estrogenic activity and their distribution in aquatic environment in relation to endocrine disrupters

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Y.S.; Katase, T.; Inoue, T. [Nihon Univ., Fujisawa, Kanagawa (Japan). College of Bioresource Sciences; Horii, Y.; Yamashita, N. [National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki (Japan); Makino, M.; Uchiyama, T.; Fujimoto, Y. [Nihon Univ., Chiba (Japan). College of Pharmacy

    2004-09-15

    The effect of estrogen-exposure on levels of a larval storage protein of Balanus amphitrite, cypris major protein (CMP), which is related to barnacle vitellin, has been examined at low concentrations (0.01-1.0 {mu}g/l) of 4-nonylphenol (NP) and 17{beta}-estradiol (E2) (1.0 {mu}g/l) from egg hatching until the nauplius cypris stage. Eventually, the exposure to 0.01 {mu}g/l of NP led to a ca. 50% increase in the optical density of the CMP. There are theoretically ca. 170 kinds of isomers of NP, based on the structure of the nonyl side chain in NP. We fractionated a commercial NP by high performance liquid chromatography (HPLC) to give six fractions (Fr. 1- Fr. 6). Fr. 3 - Fr. 5 were further separated to afford 14 fractions by using gas chromatograph equipped with a preparative fraction collector (GC-PFC) and 11 NP isomers were identified by gas chromatograph equipped with mass spectrometry (GC-MS) and nuclear magnetic resonance spectroscopy (NMR). The chemical structures of 11 isomers (NP1 to NP14) were characterized and estrogenicities of the selected isomers were tested in recombinant yeast screen system. The 4-(1,1-dimethyl-2-ethyl-pentyl)- phenol (NP7) was found to exhibit the highest estrogenic activity corresponding to 1.9 x 10{sup -3} that of E2. The NP4 and 6 were structurally in diastereomer. The individual isomer of NP in aquatic samples taken from Ariake Sea and Tokyo, Japan was analyzed by steam distillation extraction in the present study.

  3. Polar drive on OMEGA

    Directory of Open Access Journals (Sweden)

    Radha P.B.

    2013-11-01

    Full Text Available High-convergence polar-drive experiments are being conducted on OMEGA [T. R. Boehly et al., Opt. Commum. 133, 495 (1997] using triple-picket laser pulses. The goal of OMEGA experiments is to validate modeling of oblique laser deposition, heat conduction in the presence of nonradial thermal gradients in the corona, and implosion energetics in the presence of laser–plasma interactions such as crossed-beam energy transfer. Simulated shock velocities near the equator, where the beams are obliquely incident, are within 5% of experimentally inferred values in warm plastic shells, well within the required accuracy for ignition. High, near-one-dimensional areal density is obtained in warm-plastic-shell implosions. Simulated backlit images of the compressing core are in good agreement with measured images. Outstanding questions that will be addressed in the future relate to the role of cross-beam transfer in polar drive irradiation and increasing the energy coupled into the target by decreasing beam obliquity.

  4. Polarized proton collider at RHIC

    Energy Technology Data Exchange (ETDEWEB)

    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. E-mail: mackay@bnl.govhttp://www.rhichome.bnl.gov/People/waldowaldo@bnl.gov; 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

    2003-03-01

    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 {radical}s=500 GeV.

  5. Spin exchange in polarized deuterium

    International Nuclear Information System (INIS)

    Przewoski, B. von; Meyer, H.O.; Balewski, J.; Doskow, J.; Ibald, R.; Pollock, R.E.; Rinckel, T.; Wellinghausen, A.; Whitaker, T.J.; Daehnick, W.W.; Haeberli, W.; Schwartz, B.; Wise, T.; Lorentz, B.; Rathmann, F.; Pancella, P.V.; Saha, Swapan K.; Thoerngren-Engblom, P.

    2003-01-01

    We have measured the vector and tensor polarization of an atomic deuterium target as a function of the target density. The polarized deuterium was produced in an atomic beam source and injected into a storage cell. For this experiment, the atomic beam source was operated without rf transitions, in order to avoid complications from the unknown efficiency of these transitions. In this mode, the atomic beam is vector and tensor polarized and both polarizations can be measured simultaneously. We used a 1.2-cm-diam and 27-cm-long storage cell, which yielded an average target density between 3 and 9x10 11 at/cm 3 . We find that the tensor polarization decreases with increasing target density while the vector polarization remains constant. The data are in quantitative agreement with the calculated effect of spin exchange between deuterium atoms at low field

  6. Linear polarization of BY Draconis

    International Nuclear Information System (INIS)

    Koch, R.H.; Pfeiffer, R.J.

    1976-01-01

    Linear polarization measurements are reported in four bandpasses for the flare star BY Dra. The red polarization is intrinsically variable at a confidence level greater than 99 percent. On a time scale of many months, the variability is not phase-locked to either a rotational or a Keplerian ephemeris. The observations of the three other bandpasses are useful principally to indicate a polarization spectrum rising toward shorter wavelengths

  7. Polarity in Mammalian Epithelial Morphogenesis

    OpenAIRE

    Roignot, Julie; Peng, Xiao; Mostov, Keith

    2013-01-01

    Cell polarity is fundamental for the architecture and function of epithelial tissues. Epithelial polarization requires the intervention of several fundamental cell processes, whose integration in space and time is only starting to be elucidated. To understand what governs the building of epithelial tissues during development, it is essential to consider the polarization process in the context of the whole tissue. To this end, the development of three-dimensional organotypic cell culture model...

  8. A polarized alkali ion source

    International Nuclear Information System (INIS)

    Boettger, R.; Tungate, G.; Bauer, B.; Egelhof, P.; Moebius, K.H.; Steffens, E.

    1978-01-01

    The beam foil technique has been applied to detect nuclear vector polarization of a 10 keV 23 Na + beam. The result was about 70% of the atomic beam polarization thus limiting the depolarization by the surface ionizer to at most 30%. In a Coulomb excitation experiment with a tensor polarized 42 MeV 23 Na 7+ beam an effect of 0.011 +- 0.003 was measured yielding a value of t 20 approx. 0.04 for the beam polarization. The depolarization during the acceleration process can be estimated to be about 0.8. (orig.) [de

  9. The SLAC polarized electron source

    International Nuclear Information System (INIS)

    Tang, H.; Alley, R.; Frisch, J.

    1995-06-01

    The SLAC polarized electron source employs a photocathode DC high voltage gun with a loadlock and a YAG pumped Ti:sapphire laser system for colliding beam experiments or a flash lamp pumped Ti:sapphire laser for fixed target experiments. It uses a thin, strained GaAs(100) photocathode, and is capable of producing a pulsed beam with a polarization of ≥80% and a peak current exceeding 10 A. Its operating efficiency has reached 99%. The physics and technology of producing high polarization electron beams from a GaAs photocathode will be reviewed. The prospects of realizing a polarized electron source for future linear colliders will also be discussed

  10. Theoretical prediction of the linear isomers for rare gas-carbon disulfide complexes: He-CS₂, Ne-CS₂, and Ar-CS₂.

    Science.gov (United States)

    Zang, Limin; Dai, Wei; Zheng, Limin; Duan, Chuanxi; Lu, Yunpeng; Yang, Minghui

    2014-03-21

    Theoretical studies of the potential energy surfaces (PESs) and bound states are performed for rare gas-carbon disulfide complexes, He-CS2, Ne-CS2, and Ar-CS2. Three two-dimensional intermolecular PESs are constructed from ab initio data points which are calculated at the CCSD(T) level with aug-cc-pVTZ basis set supplemented with bond functions. We find that the three PESs have very similar features and each PES can be characterized by a global T-shaped minimum, two equivalent local linear minima, and the saddle points between them. The T-shaped isomer is energetically more stable than the linear isomer for each complex. The linear isomers, which have not been observed in experiment so far, are predicted from our PESs and further identified by bound state calculations. Moreover, we assign several intermolecular vibrational states for both the T-shaped and linear isomers of the three complexes via the analysis of wavefunctions. The corresponding vibrational frequencies are calculated from the bound state energies for these assigned states. These frequencies could be helpful for further experimental studies, especially for the linear isomers. We also calculate the rovibrational transition frequencies for the three T-shaped isomers and the pure rotational transition frequencies for the linear isomers, respectively. The accuracy of the PESs is validated by the good agreement between theoretical and experimental results for the rovibrational transition frequencies and spectroscopic parameters.

  11. Analysis of a series of chlorogenic acid isomers using differential ion mobility and tandem mass spectrometry.

    Science.gov (United States)

    Willems, Jamie L; Khamis, Mona M; Mohammed Saeid, Waleed; Purves, Randy W; Katselis, George; Low, Nicholas H; El-Aneed, Anas

    2016-08-24

    Chlorogenic acids are among the most abundant phenolics found in the human diet. Of these, the mono-caffeoylquinic acids are the predominant phenolics found in fruits, such as apples and pears, and products derived from them. In this research, a comprehensive study of the electrospray ionization (ESI) tandem mass spectrometric (MS/MS) dissociation behavior of the three most common mono-caffeoylquinic acids, namely 5-O-caffeoylquinic acid (5-CQA), 3-O-caffeoylquinic acid (3-CQA) and 4-O-caffeoylquinic acid (4-CQA), were determined using both positive and negative ionization. All proposed structures of the observed product ions were confirmed with second-generation MS(3) experiments. Similarities and differences between the dissociation pathways in the positive and negative ion modes are discussed, confirming the proposed structures and the established MS/MS fingerprints. MS/MS dissociation was primarily driven via the cleavage of the ester bond linking the quinic acid moiety to the caffeic acid moiety within tested molecules. Despite being structural isomers with the same m/z values and dissociation behaviors, the MS/MS data in the negative ion mode was able to differentiate the three isomers based on ion intensity for the major product ions, observed at m/z 191, 179 and 173. This differentiation was consistent among various MS instruments. In addition, ESI coupled with high-field asymmetric waveform ion mobility spectrometry-mass spectrometry (ESI-FAIMS-MS) was employed for the separation of these compounds for the first time. By combining MS/MS data and differential ion mobility, a method for the separation and identification of mono-caffeoylquinic in apple/pear juice samples was developed with a run time of less than 1 min. It is envisaged that this methodology could be used to identify pure juices based on their chlorogenic acid profile (i.e., metabolomics), and could also be used to detect juice-to-juice adulteration (e.g., apple juice addition to pear juice

  12. Anti-Neoplastic Activity of Two Flavone Isomers Derived from Gnaphalium elegans and Achyrocline bogotensis

    Science.gov (United States)

    Pendleton, Morgan H.; Torrenegra, Ruben D.; Rodriguez, Oscar E.; Harirforoosh, Sam; Ballester, Maria; Lightner, Janet; Krishnan, Koyamangalath; Ramsauer, Victoria P.

    2012-01-01

    Over 4000 flavonoids have been identified so far and among these, many are known to have antitumor activities. The basis of the relationships between chemical structures, type and position of substituent groups and the effects these compounds exert specifically on cancer cells are not completely elucidated. Here we report the differential cytotoxic effects of two flavone isomers on human cancer cells from breast (MCF7, SK-BR-3), colon (Caco-2, HCT116), pancreas (MIA PaCa, Panc 28), and prostate (PC3, LNCaP) that vary in differentiation status and tumorigenic potential. These flavones are derived from plants of the family Asteraceae, genera Gnaphalium and Achyrocline reputed to have anti-cancer properties. Our studies indicate that 5,7-dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-chromen-4-one (5,7-dihydroxy-3,6,8-trimethoxy flavone) displays potent activity against more differentiated carcinomas of the colon (Caco-2), and pancreas (Panc28), whereas 3,5-dihydroxy-6,7,8-trimethoxy-2-phenyl-4H-chromen-4-one (3,5-dihydroxy-6,7,8-trimethoxy flavone) cytototoxic action is observed on poorly differentiated carcinomas of the colon (HCT116), pancreas (Mia PaCa), and breast (SK-BR3). Both flavones induced cell death (>50%) as proven by MTT cell viability assay in these cancer cell lines, all of which are regarded as highly tumorigenic. At the concentrations studied (5–80 µM), neither flavone demonstrated activity against the less tumorigenic cell lines, breast cancer MCF-7 cells, androgen-responsive LNCaP human prostate cancer line, and androgen-unresponsive PC3 prostate cancer cells. 5,7-dihydroxy-3,6,8-trimethoxy-2-phenyl-4H-chromen-4-one (5,7-dihydroxy-3,6,8-trimethoxy flavone) displays activity against more differentiated carcinomas of the colon and pancreas, but minimal cytotoxicity on poorly differentiated carcinomas of these organs. On the contrary, 3,5-dihydroxy-6,7,8-trimethoxy-2-phenyl-4H-chromen-4-one (3,5-dihydroxy-6,7,8-trimethoxy flavone) is highly cytotoxic to

  13. Sorption of a branched nonylphenol isomer and perfluorooctanoic acid on geosorbents and carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Chengliang

    2011-10-13

    As metabolites of organic surfactants, both nonylphenol (NP) and perfluorooctanoic acid (PFOA) are toxic and ubiquitous in the environment. Their sorption on soils and sediments is of importance for their fate and transport in the environment. Especially in China, there is still a lack of consolidated knowledge on the sorption behavior of NP and PFOA on geosorbents such as Yangtze River sediments. Thus, the present thesis investigates the sorption of a branched NP isomer [4-(1-ethyl-1, 3-dimethylpentyl) phenol] (NP111) and PFOA on Yangtze River sediments and their model components, i.e. a clay mineral (illite), metal oxides (goethite and {delta}-Al{sub 2}O{sub 3}) and organic matter (isolated from Yangtze River sediments and commercial organic matter) by both batch and dialysis techniques. NP111 is the most environmentally relevant NP isomer and its fate in the environment is unknown. Because PFOA is weakly adsorbed on geosorbents, multi-walled carbon nanotubes (MWCNTs) were studied as promising adsorbents. One of the MWCNTs studied contained traces of metal catalyst on the outer surface. Sorption isotherms of NP111 and PFOA on the sediments and their model components were fitted well by the Freundlich model. Sorption of NP111 on the sediments depended largely on their organic carbon content, resulting in organic carbon-normalized sorption coefficient (K{sub OC}) values between 6.3 x 10{sup 3} and 1.1 x 10{sup 4} L kg{sup -1}. The sorption of NP111 on {delta}-Al{sub 2}O{sub 3} and illite was comparable to that on sediments, but significantly lower than that on goethite. In contrast, the sorption of PFOA on the sediments was significantly lower. The affinity of PFOA to goethite and {delta}-Al{sub 2}O{sub 3} was slightly higher than to the sediments, but it was negligible to natural organic matter and illite. The results suggest that the organic carbon content of the sediments plays a dominant role in the sorption of NP111, whereas goethite acts as a potential sink

  14. Development of a RIMMPA-TOFMS. Isomer selective soft ionization of PCDDs/DFs

    Energy Technology Data Exchange (ETDEWEB)

    Kirihara, N.; Haruaki, Y.; Mizuho, T.; Kenji, T.; Norifumi, K.; Yasuo, S. [IDX Corporation, Tokyo (Japan); Toru, S. [JFE Engineering Corporation, Kanagawa (Japan)

    2004-09-15

    Laser mass spectrometry is an excellent technique for analyzing the dioxin discharge that changes continuously in a waste incinerator because of its rapidity and sensitivity. This instrument is being developed by many research groups around the world. A laser has also been proposed that uses a pico-second or femto-second pulse width in order to ionize softly for the polychlorodibenzo-p-dioxins and polychlorodibenzofurans (PCDDs/DFs) because of the short excitation lifetime of their molecules. In contrast, we have developed a new laser mass spectrometer, RIMMPA-TOFMS (Resonance Ionization with Multi-Mirror-System Photon Accumulation coupled with Time of Flight Mass Spectrometry), based on a two-color-two-photon ionization scheme and using a nanosecond pulse laser, which enables isomer selective soft ionization for the PCDDs/DFs, and which has high-sensitivity performance with a minimum limit of detection of 3.7 pptv (signal-to-noise ratio S/N = 3, 2,3,7,8-tetrachlorodibenzo-p-dioxin (2,3,7,8-TeCDD)). In particular, a pulse valve has been developed that can operate under a high-temperature condition and produce a supersonic jet under the choke-flow condition, enabling isomer selective soft ionization of the PCDDs/DFs. If the supersonic jet gas ejected from our short pulse valve can not only be cooled to cryogenic temperature, but also be ordered uniformly so that the collisions between particles are minimized and the excitation lifetime of its compounds becomes longer, then the nano-second pulse width laser will also ionize softly. In this paper, we report the experimental results of the following PCDDs/DFs detected by RIMMPA-TOFMS: 2,3,7,8-TeCDD, 1,2,3,7,8-pentachlorodibenzofuran (PnCDF) and 2,3,4,7,8- PnCDF, and the mass and wavelength two-dimensional map database for the 14 kinds of PCDDs/DFs.

  15. Polar Biomedical Research - An Assessment.

    Science.gov (United States)

    1982-10-01

    to grow more crops in subpolar Alaska. The severity of the polar conditions in Antarctica allow no practical method for providing volumes of plant food...for an expanded population. Any experiments in polar regions in food production involving geothermal heat, solar energy, hydroponics , or aquaculture

  16. Create a Polarized Light Show.

    Science.gov (United States)

    Conrad, William H.

    1992-01-01

    Presents a lesson that introduces students to polarized light using a problem-solving approach. After illustrating the concept using a slinky and poster board with a vertical slot, students solve the problem of creating a polarized light show using Polya's problem-solving methods. (MDH)

  17. 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.

  18. Polarization-preserving holey fibers

    DEFF Research Database (Denmark)

    Broeng, Jes; Mogilevtsev, Dmitri; Libori, Stig E. Barkou

    2001-01-01

    In this work we suggest and discuss a microstructure of air capillaries with elliptical cross-section in a tread of glass that gives opportunity for Creation of polarization-preserving fiber with very small beat length between the fundamental modes of different polarization...

  19. Polarized Scintillating Targets at Psi

    Science.gov (United States)

    van den Brandt, B.; Bunyatova, E. I.; Hautle, P.; Konter, J. A.; Mango, S.

    2001-02-01

    Scintillating polarized targets are now routinely available: blocks of 18×18×5 mm scintillating organic polymer, doped with TEMPO, polarized dynamically in a field of 2.5 T in a vertical 3He-4He dilution refrigerator. A 19 mm diameter plastic lightguide transports the scintillation light from the sample in the mixing chamber to a photomultiplier outside the cryostat.

  20. UV Coatings, Polarization, and Coronagraphy

    Science.gov (United States)

    Bolcar, Matthew R.; Quijada, Manuel; West, Garrett; Balasubramanian, Bala; Krist, John; Martin, Stefan; Sabatke, Derek

    2016-01-01

    Presenation for the Large UltraViolet Optical Infrared (LUVOIR) and Habitable Exoplanet Imager (HabEx) Science and Technology Definition Teams (STDT) on technical considerations regarding ultraviolet coatings, polarization, and coronagraphy. The presentations review the state-of-the-art in ultraviolet coatings, how those coatings generate polarization aberrations, and recent study results from both the LUVOIR and HabEx teams.

  1. Polarization Imaging and Insect Vision

    Science.gov (United States)

    Green, Adam S.; Ohmann, Paul R.; Leininger, Nick E.; Kavanaugh, James A.

    2010-01-01

    For several years we have included discussions about insect vision in the optics units of our introductory physics courses. This topic is a natural extension of demonstrations involving Brewster's reflection and Rayleigh scattering of polarized light because many insects heavily rely on optical polarization for navigation and communication.…

  2. Climate Drives Polar Bear Origins

    Science.gov (United States)

    In their provocative analysis of northern bears (“Nuclear genomic sequences reveal that polar bears are an old and distinct bear lineage,” Reports, 20 April, p. 344), F. Hailer et al. use independent nuclear loci to show that polar bears originated during the middle Pleistocene, rather than during t...

  3. Integrins and epithelial cell polarity.

    Science.gov (United States)

    Lee, Jessica L; Streuli, Charles H

    2014-08-01

    Cell polarity is characterised by differences in structure, composition and function between at least two poles of a cell. In epithelial cells, these spatial differences allow for the formation of defined apical and basal membranes. It has been increasingly recognised that cell-matrix interactions and integrins play an essential role in creating epithelial cell polarity, although key gaps in our knowledge remain. This Commentary will discuss the mounting evidence for the role of integrins in polarising epithelial cells. We build a model in which both inside-out signals to polarise basement membrane assembly at the basal surface, and outside-in signals to control microtubule apical-basal orientation and vesicular trafficking are required for establishing and maintaining the orientation of epithelial cell polarity. Finally, we discuss the relevance of the basal integrin polarity axis to cancer. This article is part of a Minifocus on Establishing polarity. © 2014. Published by The Company of Biologists Ltd.

  4. Hyperon polarization: An experimental overview

    International Nuclear Information System (INIS)

    Lach, J.

    1992-12-01

    The fact that inclusively produced hyperons are produced with significant polarization was first discovered at Fermilab about seventeen years ago. This and subsequent experiments showed that Λ degree were produced polarized while bar Λ degree had no polarization in the same kinematical region. This set the stage for many experiments which showed that most hyperons are produced polarized. Recent Fermilab experiments have showed that this phenomena is even more complex than previously thought and theoretical understanding is still lacking. Nevertheless polarized hyperon beams have been an extremely useful experimental tool in measuring hyperon magnetic moments and hyperon β-decay. Recently, hyperon radiative decays have been studied and magnetic moment precession of channeled particles in bent crystals has been observed

  5. A review of polarized ion sources

    International Nuclear Information System (INIS)

    Schmor, P.W.

    1995-06-01

    The two main types of polarized ion sources in use on accelerators today are the Atomic Beam Polarized Ion Source (ABIS) source and the Optically Pumped Polarized Ion Source (OPPIS). Both types can provide beams of nuclearly polarized light ions which are either positively or negatively charged. Heavy ion polarized ion sources for accelerators are being developed. (author). 35 refs., 1 tab

  6. Promoting Diversity Through Polar Interdisciplinary Coordinated Education (Polar ICE)

    Science.gov (United States)

    McDonnell, J. D.; Hotaling, L. A.; Garza, C.; Van Dyk, P. B.; Hunter-thomson, K. I.; Middendorf, J.; Daniel, A.; Matsumoto, G. I.; Schofield, O.

    2017-12-01

    Polar Interdisciplinary Coordinated Education (ICE) is an education and outreach program designed to provide public access to the Antarctic and Arctic regions through polar data and interactions with the scientists. The program provides multi-faceted science communication training for early career scientists that consist of a face-to face workshop and opportunities to apply these skills. The key components of the scientist training workshop include cultural competency training, deconstructing/decoding science for non-expert audiences, the art of telling science stories, and networking with members of the education and outreach community and reflecting on communication skills. Scientists partner with educators to provide professional development for K-12 educators and support for student research symposia. Polar ICE has initiated a Polar Literacy initiative that provides both a grounding in big ideas in polar science and science communication training designed to underscore the importance of the Polar Regions to the public while promoting interdisciplinary collaborations between scientists and educators. Our ultimate objective is to promote STEM identity through professional development of scientists and educators while developing career awareness of STEM pathways in Polar science.

  7. Efficient synthesis and physicochemical characterization of natural danshensu, its S isomer and intermediates thereof

    Science.gov (United States)

    Sidoryk, Katarzyna; Filip, Katarzyna; Cmoch, Piotr; Łaszcz, Marta; Cybulski, Marcin

    2018-02-01

    The synthesis and molecular structure details of R- 3,4-dihydroxyphenyl lactic acid (danshensu) and related compounds, i.e. S isomer and the key intermediates have been described. Danshensu is an important water soluble phenolic acid of Salvia miltiorrhiza herb (danshen or red sag) with numerous applications in traditional Chinese medicine (TCM). Our synthetic approach was based on the Knoevenagel condensation of the protected 3,4-dihydroxybenzaldehyd and Meldrum acid derivative, followed by asymmetric Sharples dihydroxylation, reductive mono dehydroxylation and final deprotection. All compounds were characterized by various spectroscopic techniques: 1H-, 13C- magnetic resonance (NMR); Fourier-transformed infrared (FTIR); Raman, HR mass spectroscopy. For the determination of compound optical purities original HPLC methods were developed which allowed for the efficient resolution of danshensu R and S enantiomers as well as its intermediate enantiomers, using commercially available chiral stationary phases. Furthermore, in order to better understand danshensu specificity as a potential API in drug formulation, the physicochemical properties of the compounds were studied by thermal analysis, including differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA).

  8. Isomers and conformational barriers of gas phase nicotine, nornicotine and their protonated forms

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, Tomoki; Farone, William A.; Xantheas, Sotiris S.

    2014-07-17

    We report extensive conformational searches of the neutral nicotine, nornicotine and their protonated analogs that are based on ab-initio second order Møller-Plesset perturbation (MP2) electronic structure calculations. Initial searches were performed with the 6-31G(d,p) and the energetics of the most important structures were further refined from geometry optimizations with the aug-cc-pVTZ basis set. Based on the calculated free energies at T=298 K for the gas phase molecules, neutral nicotine has two dominant trans conformers, whereas neutral nornicotine is a mixture of several conformers. For nicotine, the protonation on both the pyridine and the pyrrolidine sites is energetically competitive, whereas nornicotine prefers protonation on the pyridine nitrogen. The protonated form of nicotine is mainly a mixture of two pyridine-protonated trans conformers and two pyrrolidine-protonated trans conformers, whereas the protonated form of nornicotine is a mixture of four pyridine-protonated trans conformers. Nornicotine is conformationally more flexible than nicotine, however it is less protonated at the biologically important pyrrolidine nitrogen site. The lowest energy isomers for each case were found to interconvert via low (< 6 kcal/mol) rotational barriers around the pyridine-pyrrolidine bond.

  9. Calibration of the isomer shift of {sup 133}Cs from internal conversion measurement

    Energy Technology Data Exchange (ETDEWEB)

    Ishii, Hiroko; Tanaka, Eiji; Muramatsu, Hisakazu [Shinshu Univ., Matsumoto, Nagano (Japan)] [and others

    1997-03-01

    In this study, for 81 KeV transition of 133-Cs which is one of Moessbauer nuclides belonged to alkaline element and can be useful probe on study of binding state in a compound with high ionic boundability specific to alkaline element, an experiment to obtain {Delta}R/R was conducted by measurement of Moessbauer isomer shift and of internal conversion intensity of outer shell electron, using an internal conversion method, one of obtaining methods of {Delta} at the most accuracy. 133-Xe was buried at shallow surface of a host metal, reduced energy loss of internal conversion electron to realize high resolution and aimed to separate O-shell from P-shell to reduce injected ionic spaced and prepare a source. In range measurement of various energy to confirm actual speed reduction of ion, transmittance of 133-Xe on Cu layer vapor-deposited 2 to 10 micro g/sq cm thick on an Ni-foil was conducted. As a result, mean ranges of each energy were 5:2.2, 10:3.7, 15:4.8, and 20:5.6 micro g/sq cm, respectively. It was thought to be proved that speed reduction was certainly conducted by facts that the range increased with increase of the incident energy which showed good agreement with calculation results due to TRIM-95 code. (G.K.)

  10. Evolution of nuclear structure in neutron-rich odd-Zn isotopes and isomers

    Directory of Open Access Journals (Sweden)

    C. Wraith

    2017-08-01

    Full Text Available Collinear laser spectroscopy was performed on Zn (Z=30 isotopes at ISOLDE, CERN. The study of hyperfine spectra of nuclei across the Zn isotopic chain, N=33–49, allowed the measurement of nuclear spins for the ground and isomeric states in odd-A neutron-rich nuclei up to N=50. Exactly one long-lived (>10 ms isomeric state has been established in each 69–79Zn isotope. The nuclear magnetic dipole moments and spectroscopic quadrupole moments are well reproduced by large-scale shell–model calculations in the f5pg9 and fpg9d5 model spaces, thus establishing the dominant term in their wave function. The magnetic moment of the intruder Iπ=1/2+ isomer in 79Zn is reproduced only if the νs1/2 orbital is added to the valence space, as realized in the recently developed PFSDG-U interaction. The spin and moments of the low-lying isomeric state in 73Zn suggest a strong onset of deformation at N=43, while the progression towards 79Zn points to the stability of the Z=28 and N=50 shell gaps, supporting the magicity of 78Ni.

  11. Studies on the separation of hydrogen isotopes and spin isomers by gas chromatography

    International Nuclear Information System (INIS)

    Pushpa, K.K.; Annaji Rao, K.

    2000-08-01

    Separation and analysis of mixture of hydrogen isotopes has gained considerable importance because of various applications needing different isotopes in lasers, nuclear reactions and tracer or labelled compounds. In the literature gas chromatographic methods are reported using columns packed with partly dehydrated or thoroughly dehydrated alumina/molecular sieve stationary phase at 77 deg K with helium, neon and even hydrogen or deuterium as carrier gas. In the present study an attempt is made to compare the chromatographic behaviour of these two stationary phases using virgin and Fe doped form in partly dehydrated and thoroughly dehydrated state, using helium, neon, hydrogen and deuterium as carrier gas. The results of this study show that helium or neon carrier gas behave similarly broad peaks with some tailing. Sharp symmetric peaks are obtained with hydrogen or deuterium carrier gas. This is attributed to large hold up capacity for H 2 or D 2 at 77 deg K in these materials as compared to helium or neon. Spin isomers of H 2 or D 2 are separated on Fe free stationary phases, though ortho H 2 and HD are not resolved. Using a combination of Fe doped short column and plain alumina column, both maintained in dehydrated form, the effect of Fe doping on thermal equilibrium of ortho/para forms at 77 deg K is clearly demonstrated. (author)

  12. Radiochemically pure [1-14C]valproic acid--a mixture of labeled structural isomers

    International Nuclear Information System (INIS)

    Dickinson, R.G.; Wood, B.T.; Kluck, R.M.; Hooper, W.D.

    1986-01-01

    Ongoing studies of the disposition of valproic acid (VPA) and its glucuronide conjugate required the radiolabeled drug for greater sensitivity and tracing of oxidation metabolites. [1- 14 C]VPA hereinafter called LABEL (radiochemical purity greater than 98% as determined by paper and thin layer chromatography) was purchased from Amersham International, U.K. Quantitative analysis of VPA and VPA-glucuronide in bile and urine samples from rats given VPA and tracer LABEL by our standard gas chromatographic assay showed gross discrepancies with the results obtained by liquid scintillation counting of the same extracts. Examination of the purity of LABEL was therefore undertaken. Equilibration of LABEL between various organic-aqueous solvent pairs was identical to that of authentic VPA. However, gas chromatographic-mass spectrometric analysis of the trimethylsilyl derivative of LABEL revealed it to be a mixture of labeled 2-methylheptanoic acid (approximately 60%), 2-ethylhexanoic acid (approximately 30%), and 2-propylpentanoic acid (i.e., VPA, 5-10%). The origin of the isomers of VPA in LABEL was logically traced to the synthetic procedure--coupling of the Grignard reagent of (an isomeric mixture of 2-, 3-, and 4-) chloroheptane(s) with [ 14 C]carbon dioxide. This result highlights the inadequacy of the quality control procedures used and reinforces the necessity for caution in accepting the quoted purity of radiolabeled drugs

  13. Membrane Materials and Technology for Xylene Isomers Separation and Isomerization via Pervaporation

    KAUST Repository

    Bilaus, Rakan

    2014-11-01

    P-xylene is one of the highly influential commodities in the petrochemical industry. It is used to make 90% of the world’s third largest plastic production, polyethylene terephthalate (PET). With a continuously increasing demand, the current technology’s high energy intensity has become a growing concern. Membrane separation technology is a potential low-energy alternative. Polymeric membranes were investigated in a pervaporation experiment to separate xylene isomers. Polymers of intrinsic microporosity (PIMs) as well as polyimides (PIM-PI), including thermally cross-linked PIM-1, PIM-6FDA-OH and thermally-rearranged PIM-6FDA-OH were investigated as potential candidates. Although they exhibited extremely high permeability to xylenes, selectivity towards p-xylene was poor. This was attributed to the polymers low chemical resistance which was apparent in their strong tendency to swell in xylenes. Consequently, a perfluoro-polymer, Teflon AF 2400, with a high chemical resistance was tested, which resulted in a slightly improved selectivity. A super acid sulfonated perfluoro-polymer (Nafion-H) was used as reactive membrane for xylenes isomerization. The membrane exhibited high catalytic activity, resulting in 19.5% p-xylene yield at 75ᵒC compared to 20% p-xylene yield at 450ᵒC in commercial fixed bed reactors. Nafion-H membrane outperforms the commercial technology with significant energy savings.

  14. Computational Study on Mössbauer Isomer Shifts of Some Organic-neptunium (IV Complexes

    Directory of Open Access Journals (Sweden)

    Masashi Kaneko

    2015-12-01

    Full Text Available Relativistic DFT calculations are applied to some organo-neptunium (IV complexes, Cp3NpIVX (Cp = η5-C5H5; X = BH4, Cl, OtBu, Ph, nBu, in order to understand their bonding properties between Np and the ligands. We employ scalar-relativistic ZORA Hamiltonian with all-electron basis set (SARC. The calculated electron densities at Np nucleus position in the complexes at B2PLYP / SARC theory strongly correlate to the experimental Mössbauer isomer shifts of 237Np system. The result of bond overlap population analysis indicates that the bonding strength decreases in order of X = BH4, Cl, OtBu, Ph and nBu. The tendency depends on the degree of the covalent interaction between Np 5f-electron and X ligand. It is suggested that it is important to estimate the bonding contribution of 5f-orbital to understand the electronic state for organo-actinide complexes.

  15. Photodissociation of HCN and HNC isomers in the 7-10 eV energy range

    Energy Technology Data Exchange (ETDEWEB)

    Chenel, Aurelie; Roncero, Octavio, E-mail: octavio.roncero@csic.es [Instituto de Física Fundamental (IFF-CSIC), C.S.I.C., Serrano 123, 28006 Madrid (Spain); Aguado, Alfredo [Departamento de Química Física Aplicada (UAM), Unidad Asociada a IFF-CSIC, Facultad de Ciencias Módulo 14, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Agúndez, Marcelino; Cernicharo, José [Instituto de Ciencia de Materiales de Madrid, CSIC, C/ Sor Juana Inés de la Cruz 3, 28049 Cantoblanco (Spain)

    2016-04-14

    The ultraviolet photoabsorption spectra of the HCN and HNC isomers have been simulated in the 7-10 eV photon energy range. For this purpose, the three-dimensional adiabatic potential energy surfaces of the 7 lowest electronic states, and the corresponding transition dipole moments, have been calculated, at multireference configuration interaction level. The spectra are calculated with a quantum wave packet method on these adiabatic potential energy surfaces. The spectra for the 3 lower excited states, the dissociative electronic states, correspond essentially to predissociation peaks, most of them through tunneling on the same adiabatic state. The 3 higher electronic states are bound, hereafter electronic bound states, and their spectra consist of delta lines, in the adiabatic approximation. The radiative lifetime towards the ground electronic states of these bound states has been calculated, being longer than 10 ns in all cases, much longer that the characteristic predissociation lifetimes. The spectra of HCN is compared with the available experimental and previous theoretical simulations, while in the case of HNC there are no previous studies to our knowledge. The spectrum for HNC is considerably more intense than that of HCN in the 7-10 eV photon energy range, which points to a higher photodissociation rate for HNC, compared to HCN, in astrophysical environments illuminated by ultraviolet radiation.

  16. Electroabsorption spectra of carotenoid isomers: Conformational modulation of polarizability vs. induced dipole moments

    International Nuclear Information System (INIS)

    Krawczyk, Stanislaw; Jazurek, Beata; Luchowski, Rafal; Wiacek, Dariusz

    2006-01-01

    Electroabsorption spectra of all-trans, 13-cis and 15-cis isomers of carotenoids violaxanthin and β-carotene frozen in organic solvents were analysed in terms of changes in permanent dipole moment, Δμ, and in the linear polarizability, Δα, on electronic excitation. The spectral range investigated covered the two carotenoid absorption bands in the VIS and UV, known to originate from differently oriented transition dipole moments. In contrast with the collinearity of the apparent Δμ with Δα in the lowest-energy allowed (VIS) transition 1A g - ->1B u + , the axis of the largest polarizability change in the UV transition 1A g - ->1A g + (''cis band'') was found to make a large angle with the transition moment, while the direction of Δμ appears to be much closer to it. These data support the view that Δμ's inferred from electrochromic spectra of carotenoids are apparent and are not induced by the local matrix field in the solvent cavity, but merely result from conformational modulation of molecular polarizability

  17. Kinetic crystallization separation process of the inositol isomers by controlling metastable zones

    Science.gov (United States)

    Konuki, Kaname; Hirasawa, Izumi

    2013-06-01

    D-chiro-inositol (DCI) is prepared by the immobilized enzyme reaction which uses myo-inositol (MI) as the substrate and the conversion rate is about 13%. The aim of this study was to develop a separation method for high purity DCI crystals from a reaction solution including low purity DCI only by the crystallization process. We succeeded in separating DCI crystals of 96% purity by water cooling crystallization, but it was presumed that scale-up was difficult. Although we tried anti-solvent crystallization similar to water cooling crystallization, high purity DCI crystals were not obtained. Therefore, we proposed the crystallization separation process by controlling metastable zones. The purity of a desired compound is controlled by this process, because solid-liquid separation is achieved before crystallization of compound in metastable zone. By the crystallization using this method, the DCI crystals of 97% purity were obtained. Although the yield per batch is about 50%, the actual yield is improved as the last mother liquor returns into the process of the following batch. When this process was repeated, the purity and the yield of DCI were reproduced and the robustness of this process was proved. It is expected that scale-up of this process will be successful, and this purification method could be applicable to similar systems such as separation of isomers and analogs.

  18. Development of a Method for Detection of Lactic Acid Bacteria Producing Exclusively the l-(+)- Isomer of Lactic Acid

    Science.gov (United States)

    Jehanno, D.; Thuault, D.; Bourgeois, C. M.

    1992-01-01

    A method was developed for the detection and isolation, within a population of lactic acid bacteria, of strains producing exclusively the l-(+)- isomer of lactic acid; the visual detection of colonies of these particular strains can be carried out directly on agar plates (50 to 70 colonies per plate). The method is based on an enzymatic stereospecific reaction involving d-(−)-lactate dehydrogenase and linked to a staining reaction; the diffusion area of the d-(−)- isomer stains red around the d-(−)- and the dl-lactic acid-producing colonies, while the colonies producing exclusively l-(+)-lactic acid are detected by the absence of the colored halo. The intensity of staining was increased when cellulose powder and Tween 20 were added to the agar medium. Images PMID:16348833

  19. Seasonal variation of HCH isomers in open soil and plant-rhizospheric soil system of a contaminated environment.

    Science.gov (United States)

    Abhilash, P C; Singh, Nandita

    2009-09-01

    Lindane, technically 1, 2, 3, 4, 5, 6-hexachlorocyclohexane (gamma- HCH), is the most commonly detected organochlorine pesticide from diverse environmental compartments. Currently, India is the largest consumer and producer of lindane in the world. The production of lindane results in the generation of large quantities of waste HCH isomers (mainly alpha-, beta- and delta-). All these isomers are toxic and have a long-range environmental transport potential. The aim of this study was to monitor the seasonal variation of HCH isomers in an open soil-plant-rhizospheric soil system of a contaminated industrial area. For this, selected plant species and their rhizospheric soil (soil samples collected at a depth range of 0-45 cm near to the root system) and open soil samples (soil samples collected (0-30 cm depth) from 1-1.5 m away from the plant root system) were collected for 2 years (two summer seasons and two winter seasons). Seven plant species along with their rhizospheric soil and open soil samples were collected seasonally from different parts of the industry. Plant samples were separated into root, leaf and stem. HCH isomers in plant and soil samples were extracted by matrix solid-phase dispersion extraction (MSPD) and Soxhlet extraction, respectively, followed by GC-ECD. The seasonal difference in occurrence of HCH isomers in plant samples with their respective soil-system was studied by multivariate statistical approaches. The mean concentration of total HCH in plant samples, open soil and rhizospheric soil samples were found in the range of 14.12 to 59.29 mg kg(-1); 38.64 to 104.18 mg kg(-1) and 8.38 to 26.05 mg kg(-1), respectively. Cluster grouping reveals that S. torvum and W. somnifera can accumulate more HCH than other studied species. There was a marked seasonal difference in the occurrence of HCH isomers in plant samples (p industrial area is contaminated with all major isomers of HCH. Occurrence of all these isomers in the study area point out the lack

  20. [Separation and identification of beta-carotene and its cis isomers by high pressure liquid chromatography (HPLC)].

    Science.gov (United States)

    Carrillo de Padilla, F

    1996-06-01

    The separation and identification by HPLC of the cis isomers of beta-carotene was studied. A 1.26 mg/ml beta-carotene solution previously isomerized with iodine as a catalyst, was eluted with 2% acetone in hexane, from a Ca(OH)2 chromatographic column in three bands. The fractions were identified by spectrophotometry and the retention times of 2.05, 2.4 and 2.8 min for the 13 cis, all-trans, and 9 cis beta-carotene isomers, determined by HPLC, with 1% acetone in hexane as movil phase. 22.13 mg % of all-trans beta-carotene were found in a sample of canned carrots. It is recommended the analyses of a greater number of samples, the determination of the method's sensitivity, reproductibility, and the use of a standard of reference of a response factor for calculations.

  1. Identification of isomers and control of ionization and dissociation processes using dual-mass-spectrometer scheme and genetic algorithm optimization

    International Nuclear Information System (INIS)

    Chen Zhou; Qiu-Nan Tong; Zhang Cong-Cong; Hu Zhan

    2015-01-01

    Identification of acetone and its two isomers, and the control of their ionization and dissociation processes are performed using a dual-mass-spectrometer scheme. The scheme employs two sets of time of flight mass spectrometers to simultaneously acquire the mass spectra of two different molecules under the irradiation of identically shaped femtosecond laser pulses. The optimal laser pulses are found using closed-loop learning method based on a genetic algorithm. Compared with the mass spectra of the two isomers that are obtained with the transform limited pulse, those obtained under the irradiation of the optimal laser pulse show large differences and the various reaction pathways of the two molecules are selectively controlled. The experimental results demonstrate that the scheme is quite effective and useful in studies of two molecules having common mass peaks, which makes a traditional single mass spectrometer unfeasible. (paper)

  2. Cyanoform and Its Isomers. Relative Stabilities, Spectroscopic Features, and Rearrangements by Coupled Cluster and MCSCF-Based Methods.

    Science.gov (United States)

    Szczepaniak, Marek; Moc, Jerzy

    2017-02-16

    Although an isolation of elusive tricyanomethane HC(CN) 3 was recently reported, the existence of other HC 4 N 3 species has yet to be confirmed. In this work, the relative stabilities, spectroscopic features, and rearrangements of tricyanomethane and its four isomers are examined using single- (CCSD(T), CCSD(T)-F12) and multireference (MCSCF, MRPT2) methods. Tricyanomethane and dicyanoketenimine (NC) 2 CCNH, which are found to be the two most stable HC 4 N 3 isomers lying within 9 kcal/mol, can be discriminated by their spectroscopic parameters. The predicted stepwise interconversion path relating HC(CN) 3 and (NC) 2 CCNH features the HC 4 N 3 species comprising the C-C-N ring moiety, with the largest barrier being associated with the initial H migration to one of the CN carbons. Adding a water molecule reduces the H migration barrier strongly and makes it possible to interconvert tricyanomethane to dicyanoketenimine in a "concerted" way.

  3. Long-lived high-spin isomers in the neutron-deficient 1g sub(9/2)-shell nuclei

    International Nuclear Information System (INIS)

    Ogawa, K.

    1981-09-01

    The neutron-deficient 1g sub(9/2)-shell nuclei are studied in the framework of the shell model with active nucleons occuping the 1g sub(9/2) and 2p sub(1/2) shells. The calculated result for 95 Pd shows good agreement with the recent experiment by Nolte and Hick. Many ''spin-gap'' Isomers are predicted in the region of A = 76 -- 84 and A = 95 -- 100. (author)

  4. Gyromagnetic Factors of Isomers in the Neutron-Rich N = 40 Region: the Case of 69CU

    Science.gov (United States)

    Georgiev, G.; Neyens, G.; Balabanski, D. L.; Bingham, C.; Borcea, C.; Coulier, N.; Coussement, R.; Daugas, J. M.; Defrance, G.; Goldring, G.; Górska, M.; Grawe, H.; Grzywacz, R.; Hass, M.; Lewitowicz, M.; Mach, H.; Matea, I.; de Oliveira Santos, F.; Page, R. D.; Pfützner, M.; Penionzkevich, Yu. E.; Podolyák, Zs.; Regan, P. H.; Rykaczewski, K.; Sawicka, M.; Smirnova, N. A.; Sobolev, Yu.; Stanoiu, M.; Teughels, S.; Vyvey, K.

    We report a pioneering experiment to measure g-factors of nuclear isomeric states produced and oriented in a projectile-fragmentation reaction. The TDPAD method was used combined with the ion-γ correlation technique. The deduced value for the Iπ = 13/2+, t1/2 = 350 ns isomer in 69Cu |g| = 0.195(9) is compared with shell-model calculations.

  5. Decay of the 16.3 min Decay of the 16.3 min {sup 182}Ta Isomer

    Energy Technology Data Exchange (ETDEWEB)

    Hoejeberg, M. [Inst. of Physics, Univ. of Stockholm, Stockholm (Sweden); Malmskog, S.G. [AB Atomenergi, Nykoeping (Sweden)

    1967-01-15

    Some transitions in the decay of the 16.3 min {sup 182}Ta isomer have been studied with a Ge(Li) detector and a double lens electron coincidence spectrometer. Gamma ray and conversion electron intensities were measured. From a delayed coincidence experiment it was concluded that both of the two lowest excited states in {sup 182}Ta had a half life less than 30 psec.

  6. POLARIZED LIGHT IN PHYSIOTHERAPY

    Directory of Open Access Journals (Sweden)

    L. D. Tondiy

    2015-12-01

    Full Text Available The data on polarized light (PS - a new promising treatment, rehabilitation and prevention, which took its deserved place among the known therapeutic physical factors and may even compete with laser radiation of low and LED therapy. It is reflected the significant contribution of domestic scientists in the study of aircraft action on the body, its introduction in the treatment, rehabilitation and prevention of grippe, ARI. These action's mechanisms of the aircraft on the electro-physiological processes in the body that have the leading role in the regulation of its life. The new moment in the study of aircraft on the body is the evidence of its positive impact on the mechanisms of self body - its different units: the disease's banning - a revitalization of the stress-protective, stress-limiting system antioxidial, detoxification and other protection systems, the formation by the body antiviral and antimicrobial specific substances (interferon and lysozyme, activation of the immune system, phagocytosis, protective functions of skin. The protective and mobilizing role of the second link is studied: which is triggered in case of occurrence of disease or preexisting diseases: PL mobilized processes of restitution, reparations, compensation, immunity and microcirculation. The authors studied the possibility of aircraft's using to enhance performance, reduce side effects of physical factors, which are often used in the treatment (electric methods, treatment by sound, fresh and mineral water, etc..

  7. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2)

    Science.gov (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2017-07-01

    The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs) and Earth system models (ESMs) to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx), HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect caused by the

  8. Dietary supplementation with long-chain monounsaturated fatty acid isomers decreases atherosclerosis and alters lipoprotein proteomes in LDLr-/- mice.

    Science.gov (United States)

    Yang, Zhi-Hong; Gordon, Scott M; Sviridov, Denis; Wang, Shuibang; Danner, Robert L; Pryor, Milton; Vaisman, Boris; Shichijo, Yuka; Doisaki, Nobushige; Remaley, Alan T

    2017-07-01

    Concentrated fish oils, containing a mixture of long-chain monounsaturated fatty acids (LCMUFA) with aliphatic chains longer than 18 C atoms (i.e., C20:1 and C22:1), have been shown to attenuate atherosclerosis development in mouse models. It is not clear, however, how individual LCMUFA isomers may act on atherosclerosis. In the present study, we used saury fish oil-derived concentrates enriched in either C20:1 or C22:1 isomer fractions to investigate their individual effect on atherosclerosis and lipoprotein metabolism. LDLR-deficient (LDLr -/- ) mice were fed a Western diet supplemented with 5% (w/w) of either C20:1 or C22:1 concentrate for 12 wk. Compared to the control Western diet with no supplement, both LCMUFA isomers increased hepatic levels of LCMUFA by 2∼3-fold (p atherosclerosis in LDLr -/- mice and this may partly occur through activation of the Ppar signaling pathways and favorable alterations in the proteome of lipoproteins. Published by Elsevier B.V.

  9. Assigning Peptide Disulfide Linkage Pattern Among Regio-Isomers via Methoxy Addition to Disulfide and Tandem Mass Spectrometry

    Science.gov (United States)

    Durand, Kirt L.; Tan, Lei; Stinson, Craig A.; Love-Nkansah, Chasity B.; Ma, Xiaoxiao; Xia, Yu

    2017-06-01

    Pinpointing disulfide linkage pattern is critical in the characterization of proteins and peptides consisting of multiple disulfide bonds. Herein, we report a method based on coupling online disulfide modification and tandem mass spectrometry (MS/MS) to distinguish peptide disulfide regio-isomers. Such a method relies on a new disulfide bond cleavage reaction in solution, involving methanol as a reactant and 254 nm ultraviolet (UV) irradiation. This reaction leads to selective cleavage of a disulfide bond and formation of sulfenic methyl ester (-SOCH3) at one cysteine residue and a thiol (-SH) at the other. Under low energy collision-induced dissociation (CID), cysteine sulfenic methyl ester motif produces a signature methanol loss (-32 Da), allowing its identification from other possible isomeric structures such as S-hydroxylmethyl (-SCH2OH) and methyl sulfoxide (-S(O)-CH3). Since disulfide bond can be selectively cleaved and modified upon methoxy addition, subsequent MS2 CID of the methoxy addition product provides enhanced sequence coverage as demonstrated by the analysis of bovine insulin. More importantly, this reaction does not induce disulfide scrambling, likely due to the fact that radical intermediates are not involved in the process. An approach based on methoxy addition followed by MS3 CID has been developed for assigning disulfide linkage patterns in peptide disulfide regio-isomers. This methodology was successfully applied to characterizing peptide systems having two disulfide bonds and three disulfide linkage isomers: side-by-side, overlapped, and looped-within-a-loop configurations. [Figure not available: see fulltext.

  10. Search for X-Ray Induced Acceleration of the Decay of the 31-yr Isomer 178Hf Using Synchrotron Radiation

    CERN Document Server

    Ahmad, I; Becker, J A; Gemmell, D S; Krämer, A; Mashayekhi, A; McNabb, D P; Miller, G G; Moore, E F; Pangault, L N; Rundberg, R S; Schiffer, J P; Shastri, S D; Wang, T F; Wilhelmy, J B

    2002-01-01

    Releasing the energy stored in an isomeric nuclear state in a controlled way with an atomic or electromagnetic trigger is an attractive speculation: the energy gain may be on the order of the ratio of nuclear/atomic energies - MeV/keV. (Nuclear isomers are loosely defined as excited nuclear states with lifetimes longer than 10 sup - sup 9 s.) Nuclear isomers, therefore, represent an opportunity for a stand-alone energy source if suitable schemes for trigger and control of the energy release can be found. Potential applications include space drive, as well as very bright gamma-ray sources. The nucleus sup 1 sup 7 sup 8 Hf has a nuclear isomer with excitation energy E sub x = 2.447 MeV. The 2.447-MeV isomeric state decays slowly (t sub 1 sub / sub 2 = 31 y) to the nearby state at 2.433 MeV. The J suppi = 13 sup - state loses energy in a rapid (t approx 10 sup - sup 1 sup 2 s) gamma-ray cascade ending at the 8 sup - rotational band head which in turn decays via the ground-state rotational band cascade. The gamma...

  11. Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines

    Science.gov (United States)

    Niazi, Ali; Ghasemi, Jahanbakhsh; Yazdanipour, Ateesa

    2007-11-01

    Cloud point extraction has been used for the preconcentration of m-nitroaniline, o-nitroaniline and p-nitroaniline and later simultaneous spectrophotometric determination using polyethylene glycol tert-octylphenyl ether (Triton X-100) as surfactant. The resolution of a ternary mixture of the nitroaniline isomers (after extraction by cloud point) by the application of least-squares support vector machines (LS-SVM) was performed. The chemical parameters affecting the separation phase and detection process were studied and optimized. Under the optimum experimental conditions (i.e. pH 7.0, Triton X-100 = 0.6%, equilibrium time 20 min and cloud point 75 °C), calibration graphs were linear in the range of 0.2-20.0, 0.1-15.0 and 0.1-17.0 μg ml -1 with detection limits of 0.08, 0.05 and 0.06 μg ml -1 for m-nitroaniline, o-nitroaniline and p-nitroaniline, respectively. The experimental calibration matrix was designed with 21 mixtures of these chemicals. The concentrations were varied between calibration graphs concentrations of nitroaniline isomers. The root mean square error of prediction (RMSEP) for m-nitroaniline, o-nitroaniline and p-nitroaniline were 0.0146, 0.0308 and 0.0304, respectively. This procedure allows the simultaneous determination of nitroaniline isomers in synthetic and real matrix samples good reliability of the determination was proved.

  12. Isomer separation of $^{70g}Cu$ and $^{70m}Cu$ with a resonance ionization laser ion source

    CERN Document Server

    Köster, U; Mishin, V I; Weissman, L; Huyse, M; Kruglov, K; Müller, W F; Van Duppen, P; Van Roosbroeck, J; Thirolf, P G; Thomas, H C; Weisshaar, D W; Schulze, W; Borcea, R; La Commara, M; Schatz, H; Schmidt, K; Röttger, S; Huber, G; Sebastian, V; Kratz, K L; Catherall, R; Georg, U; Lettry, Jacques; Oinonen, M; Ravn, H L; Simon, H

    2000-01-01

    Radioactive copper isotopes were ionized with the resonance ionization laser ion source at the on-line isotope separator ISOLDE (CERN). Using the different hyperfine structure in the 3d/sup 10/ 4s /sup 2/S/sub 1/2/-3d/sup 10/ 4p /sup 2/P/sub 1/2//sup 0/ transition the low- and high-spin isomers of /sup 70/Cu were selectively enhanced by tuning the laser wavelength. The light was provided by a narrow-bandwidth dye laser pumped by copper vapor lasers and frequency doubled in a BBO crystal. The ground state to isomeric state intensity ratio could be varied by a factor of 30, allowing to assign gamma transitions unambiguously to the decay of the individual isomers. It is shown that the method can also be used to determine magnetic moments. In a first experiment for the 1/sup +/ ground state of /sup 70/Cu a magnetic moment of (+)1.8(3) mu /sub N/ and for the high-spin isomer of /sup 70/Cu a magnetic moment of (+or-)1.2(3) mu /sub N/ could be deduced. (20 refs).

  13. Rapid determination of nitrophenol isomers in polluted water based on multi-walled carbon nanotubes modified screen-printed electrode

    Directory of Open Access Journals (Sweden)

    Essy Kouadio Fodjo

    2014-07-01

    Full Text Available A sensitive screen-printed electrode modified with multi-walled carbon nanotubes (MWCNTs/SPE was applied to determine simultaneously m-nitrophenol, o-nitrophenol and p-nitrophenol. The electrochemical response showed that o-nitrophenol, m-nitrophenol and p-nitrophenol were entirely separated at the MWCNTs/SPE interface. Under the optimized conditions, it was found that the detection limits were 8.1×10-8 , 5.5×10-7 and 2.0×10-7 M and the linear calibration ranges were 1.0×10-6 ~1.9×10-5 M, 2.5×10-6 ~2.1×10-5 M and 2.0×10-6 ~2.0×10-5 M for m-nitrophenol, o-nitrophenol and p-nitrophenol respectively, proving that the electrode presented here could be easily used to determine nitrophenol isomers simultaneously with high sensitivity within pH range from 4.8 to 8.0. The applications in water samples showed that no interferences appeared with deviations below 5% to the determination of nitrophenol isomers with 1000 fold excess, indicating a good response of this method for nitrophenol isomers detection. This disposable modified SPE combining with a portable electrochemical device were performed for wastewater samples on-field rapid determination.

  14. Kinetic and sequence-structure-function analysis of known LinA variants with different hexachlorocyclohexane isomers.

    Directory of Open Access Journals (Sweden)

    Pooja Sharma

    Full Text Available BACKGROUND: Here we report specific activities of all seven naturally occurring LinA variants towards three different isomers, α, γ and δ, of a priority persistent pollutant, hexachlorocyclohexane (HCH. Sequence-structure-function differences contributing to the differences in their stereospecificity for α-, γ-, and δ-HCH and enantiospecificity for (+- and (--α -HCH are also discussed. METHODOLOGY/PRINCIPAL FINDINGS: Enzyme kinetic studies were performed with purified LinA variants. Models of LinA2(B90A A110T, A111C, A110T/A111C and LinA1(B90A were constructed using the FoldX computer algorithm. Turnover rates (min(-1 showed that the LinAs exhibited differential substrate affinity amongst the four HCH isomers tested. α-HCH was found to be the most preferred substrate by all LinA's, followed by the γ and then δ isomer. CONCLUSIONS/SIGNIFICANCE: The kinetic observations suggest that LinA-γ1-7 is the best variant for developing an enzyme-based bioremediation technology for HCH. The majority of the sequence variation in the various linA genes that have been isolated is not neutral, but alters the enantio- and stereoselectivity of the encoded proteins.

  15. Stable isomers and electronic, vibrational, and optical properties of WS2 nano-clusters: A first-principles study.

    Science.gov (United States)

    Hafizi, Roohollah; Hashemifar, S Javad; Alaei, Mojtaba; Jangrouei, MohammadReza; Akbarzadeh, Hadi

    2016-12-07

    In this paper, we employ an evolutionary algorithm along with the full-potential density functional theory (DFT) computations to perform a comprehensive search for the stable structures of stoichiometric (WS 2 ) n nano-clusters (n = 1 - 9), within three different exchange-correlation functionals. Our results suggest that n = 5 and 8 are possible candidates for the low temperature magic sizes of WS 2 nano-clusters while at temperatures above 500 Kelvin, n = 7 exhibits a comparable relative stability with n = 8. The electronic properties and energy gap of the lowest energy isomers were computed within several schemes, including semilocal Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals, hybrid B3LYP functional, many body based DFT+GW approach, ΔSCF method, and time dependent DFT calculations. Vibrational spectra of the lowest lying isomers, computed by the force constant method, are used to address IR spectra and thermal free energy of the clusters. Time dependent density functional calculation in a real time domain is applied to determine the full absorption spectra and optical gap of the lowest energy isomers of the WS 2 nano-clusters.

  16. Octazethrene and Its Isomer with Different Diradical Characters and Chemical Reactivity: The Role of the Bridge Structure

    KAUST Repository

    Hu, Pan

    2016-03-11

    The fundamental relationship between structure and diradical character is important for the development of open-shell diradicaloid-based materials. In this work, we synthesized two structural isomers bearing a 2,6-naphthoquinodimethane or a 1,5-naphthoquinodimethane bridge and demonstrated that their diradical characters and chemical reactivity are quite different. The mesityl or pentafluorophenyl substituted octazethrene derivatives OZ-M/OZ-F and their isomer OZI-M (with mesityl substituents) were synthesized via an intramolecular Friedel-Crafts alkylation followed by oxidative dehydrogenation strategy from the key building blocks 4 and 11. Our detailed experimental and theoretical studies showed that both isomers have an open-shell singlet ground state with a remarkable diradical character (y0 = 0.35 and 0.34 for OZ-M and OZ-F, and y0 = 0.58 for OZI-M). Compounds OZ-M and OZ-F have good stability under the ambient environment while OZI-M has high reactivity and can be easily oxidized to a dioxo-product 15, which can be correlated to their different diradical characters. Additionally, we investigated the physical properties of OZ-M, OZ-F and 15.

  17. The role of core excitations in the structure and decay of the 16+ spin-gap isomer in 96Cd

    Directory of Open Access Journals (Sweden)

    P.J. Davies

    2017-04-01

    Full Text Available The first evidence for β-delayed proton emission from the 16+ spin gap isomer in 96Cd is presented. The data were obtained from the Rare Isotope Beam Factory, at the RIKEN Nishina Center, using the BigRIPS spectrometer and the EURICA decay station. βp branching ratios for the ground state and 16+ isomer have been extracted along with more precise lifetimes for these states and the lifetime for the ground state decay of 95Cd. Large scale shell model (LSSM calculations have been performed and WKB estimates made for ℓ=0,2,4 proton emission from three resonance-like states in 96Ag, that are populated by the β decay of the isomer, and the results compared to the new data. The calculations suggest that ℓ=2 proton emission from the resonance states, which reside ∼5 MeV above the proton separation energy, dominates the proton decay. The results highlight the importance of core-excited wavefunction components for the 16+ state.

  18. Bioaccessibility, Cellular Uptake, and Transport of Astaxanthin Isomers and their Antioxidative Effects in Human Intestinal Epithelial Caco-2 Cells.

    Science.gov (United States)

    Yang, Cheng; Zhang, Hua; Liu, Ronghua; Zhu, Honghui; Zhang, Lianfu; Tsao, Rong

    2017-11-29

    The bioaccessibility, bioavailability, and antioxidative activities of three astaxanthin geometric isomers were investigated using an in vitro digestion model and human intestinal Caco-2 cells. This study demonstrated that the trans-cis isomerization of all-E-astaxanthin and the cis-trans isomerization of Z-astaxanthins could happen both during in vitro gastrointestinal digestion and cellular uptake processes. 13Z-Astaxanthin showed higher bioaccessibility than 9Z- and all-E-astaxanthins during in vitro digestion, and 9Z-astaxanthin exhibited higher transport efficiency than all-E- and 13Z-astaxanthins. These might explain why 13Z- and 9Z-astaxanthins are found at higher concentrations in human plasma than all-E-astaxanthin in reported studies. All three astaxanthin isomers were effective in maintaining cellular redox homeostasis as seen in the antioxidant enzyme (CAT, SOD) activities ; 9Z- and 13Z- astaxanthins exhibited a higher protective effect than all-E-astaxanthin against oxidative stress as demonstrated by the lower cellular uptake of Z-astaxanthins and lower secretion and gene expression of the pro-inflammatory cytokine IL-8 in Caco-2 cells treated with H 2 O 2 . We conclude, for the first time, that Z-astaxanthin isomers may play a more important role in preventing oxidative stress induced intestinal diseases.

  19. Synthesis of lucifensin by native chemical ligation and characteristics of its isomer having different disulfide bridge pattern.

    Science.gov (United States)

    Stanchev, Stancho; Zawada, Zbigniew; Monincová, Lenka; Bednárová, Lucie; Slaninová, Jiřina; Fučík, Vladimír; Čeřovský, Václav

    2014-09-01

    The antimicrobial 40-amino-acid-peptide lucifensin was synthesized by native chemical ligation (NCL) using N-acylbenzimidazolinone (Nbz) as a linker group. NCL is a method in which a peptide bond between two discreet peptide chains is created. This method has been applied to the synthesis of long peptides and proteins when solid-phase synthesis is imcompatible. Two models of ligation were developed: [15+25] Ala-Cys and [19+21] His-Cys. The [19+21] His-Cys method gives lower yield because of the lower stability of 18-peptide-His-Nbz-CONH2 peptide, as suggested by density functional theory calculation. Acetamidomethyl-deprotection and subsequent oxidation of the ligated linear lucifensin gave a mixture of lucifensin isomers, which differed in the location of their disulfide bridges only. The dominant isomer showed unnatural pairing of cysteines [C1-6], [C3-5], and [C2-4], which limits its ability to form α-helical structure. The activity of isomeric lucifensin toward Bacillus subtilis, Staphylococcus aureus, and Micrococcus luteus was lower than that of the natural lucifensin. The desired product native lucifensin was prepared from this isomer using a one-pot reduction with dithiotreitol and subsequent air oxidation in slightly alkaline medium. Copyright © 2014 European Peptide Society and John Wiley & Sons, Ltd.

  20. 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...

  1. Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C(3)H(7)X where X = F, Cl, and Br.

    Science.gov (United States)

    Helal, Mustafa R; Yousef, Yaser A; Afaneh, Akef T

    2002-07-30

    HF, MP2, and B3LYP calculations with different basis sets have been used in the computation of the stabilization energies of C(3)H(7)X isomers, where X is F, Cl, and Br. The experimental stabilization energies of the structural isomers of C(3)H(7)Cl and C(3)H(7)Br have been reproduced via B3LYP calculations. However, the calculated stabilization energies of fluoropropane isomers from their reported enthalpies of formation have been reproduced in all methods of calculations in present work. The experimental relative stabilities of the gauche conformers of 1-fluoro-, 1-chloro-, and 1-bromopropanes have been also reproduced via some of the used calculations in the present work. The effect of the geminal interactions on X atomic charges and on the C-X and C-C bond lengths in halopropane isomers are also discussed. Copyright 2002 Wiley Periodicals, Inc.

  2. Few-body experiments with polarized beams and polarized targets

    International Nuclear Information System (INIS)

    Simmons, J.E.

    1983-01-01

    A survey is presented concerning recent polarization experiments in the elastic p-d, p- 3 He, and p- 4 He systems. Mention is made of selected neutron experiments. The nominal energy range is 10 to 1000 MeV. Recent results and interpretations of the p-d system near 10 MeV are discussed. New experiments on the energy dependence of back angle p-d tensor polarization are discussed with respect to resolution of discrepancies and difficulty of theoretical interpretation. Progress is noted concerning multiple scattering interpretation of forward p-d deuteron polarization. Some new results are presented concerning the p- 3 He system and higher energy p- 4 He polarization experiments. 52 references

  3. Elite Polarization and Public Opinion

    DEFF Research Database (Denmark)

    Robison, Joshua; Mullinix, Kevin

    2016-01-01

    Elite polarization has reshaped American politics and is an increasingly salient aspect of news coverage within the United States. As a consequence, a burgeoning body of research attempts to unravel the effects of elite polarization on the mass public. However, we know very little about how...... attitudes. In our first study, we show that criticism of polarization leads partisans to more positively evaluate the argument offered by their non-preferred party, increases support for bi-partisanship, but ultimately does not change the extent to which partisans follow their party’s policy endorsements...

  4. Acceleration of polarized proton beams

    International Nuclear Information System (INIS)

    Roser, T.

    1998-01-01

    The acceleration of polarized beams in circular accelerators is complicated by the numerous depolarizing spin resonances. Using a partial Siberian snake and a rf dipole that ensure stable adiabatic spin motion during acceleration has made it possible to accelerate polarized protons to 25 GeV at the Brookhaven AGS. Full Siberian snakes are being developed for RHIC to make the acceleration of polarized protons to 250 GeV possible. A similar scheme is being studied for the 800 GeV HERA proton accelerator

  5. Polarimetry with azimuthally polarized light

    Science.gov (United States)

    de Sande, Juan Carlos González; Piquero, Gemma; Santarsiero, Massimo

    2018-03-01

    Nonuniformly polarized light can be used for Mueller polarimetry of homogeneous linear samples. In this work, a set up based on using azimuthally polarized input light and a modified commercial light polarimeter is proposed and developed. With this set up, a Mueller submatrix of a sample can be obtained by measuring the Stokes parameters at only three different positions across the output beam section. Symmetry constraints for linear deterministic samples allow the complete Mueller matrix to be deduced for this kind of specimens. The experimental results obtained for phase plates and for a linear polarizer confirm the validity of the proposed method.

  6. Polarized deuteron elastic scattering from a polarized proton target

    International Nuclear Information System (INIS)

    Schmelzer, R.; Kuiper, H.; Schoeberl, M.; Berber, S.; Hilmert, H.; Koeppel, R.; Pferdmenges, R.; Zankel, H.

    1983-01-01

    Measurements are reported of the spin correlation parameter Cy,y for the elastic scattering of 10.0 MeV vector polarized deuterons from a polarized proton target at five CM angles (76 0 ,85 0 ,98 0 ,115 0 ,132 0 ). The experimental results are compared with different predictions. A Faddeev type calculation on the basis of local potentials also including approximate Coulomb distortion is favoured by our experimental results. (orig.)

  7. PolarHub: A Global Hub for Polar Data Discovery

    Science.gov (United States)

    Li, W.

    2014-12-01

    This paper reports the outcome of a NSF project in developing a large-scale web crawler PolarHub to discover automatically the distributed polar dataset in the format of OGC web services (OWS) in the cyberspace. PolarHub is a machine robot; its goal is to visit as many webpages as possible to find those containing information about polar OWS, extract this information and store it into the backend data repository. This is a very challenging task given huge data volume of webpages on the Web. Three unique features was introduced in PolarHub to make it distinctive from earlier crawler solutions: (1) a multi-task, multi-user, multi-thread support to the crawling tasks; (2) an extensive use of thread pool and Data Access Object (DAO) design patterns to separate persistent data storage and business logic to achieve high extendibility of the crawler tool; (3) a pattern-matching based customizable crawling algorithm to support discovery of multi-type geospatial web services; and (4) a universal and portable client-server communication mechanism combining a server-push and client pull strategies for enhanced asynchronous processing. A series of experiments were conducted to identify the impact of crawling parameters to the overall system performance. The geographical distribution pattern of all PolarHub identified services is also demonstrated. We expect this work to make a major contribution to the field of geospatial information retrieval and geospatial interoperability, to bridge the gap between data provider and data consumer, and to accelerate polar science by enhancing the accessibility and reusability of adequate polar data.

  8. LEMS: application of the method to study the static quadrupole moment of the K=35/2 isomer in 179W

    International Nuclear Information System (INIS)

    Neyens, G.; Vyvey, K.; Byrne, A.P.; Dracoulis, G.D.; Blaha, P.

    1997-01-01

    The method of the level mixing spectroscopy (LEMS) was applied for the first time for the study of the static quadrupole moments of high-K isomers in the A∼180 mass region. Results from a preliminary experiment for the static quadrupole moment of the 35/2 - (750 ns) isomer in 179 W give a limit for its upper value Q 2 <0.343. (orig.). With 1 fig

  9. In vivo metabolism and organ distribution of a branched {sup 14}C-nonylphenol isomer in pond snails, Lymnaea stagnalis L

    Energy Technology Data Exchange (ETDEWEB)

    Lalah, J.O.; Schramm, K.-W.; Severin, G.F.; Lenoir, D; Henkelmann, B.; Behechti, A.; Guenther, K.; Kettrup, A

    2003-02-26

    The branched isomers of p-nonylphenol (NP) are perceived to be more resistant to biodegradation in aquatic environments as well as to have more estrogen-like toxicity than the straight chain isomers. By use of GC-MS, some of them have been identified and found to exist in higher concentrations in the isomeric compound mixture than the straight chain isomers. The investigations of the distribution and metabolism of these branched isomers in aquatic organisms are therefore considered to be important in understanding the mechanisms of toxicity of NP. A single tertiary isomer of NP, 4(3'-,6'-dimethyl-3'-heptyl)-phenol, was synthesized in the laboratory and used in in vivo studies of its organ distribution and metabolism in Lymnaea stagnalis L., following a constant exposure of the organisms to {sup 14}C-NP isomer in water over a period of 8 days at an average exposure concentration of 105 ppb (range: 93-116 ppb). The results obtained clearly showed the distribution and bioconcentration of the isomer residues in various internal organs of Lymnaea after uptake in water and food. Analysis of the extracts of the organ tissues and faeces by HPLC and GC-MS after digestion with Pankreatin/{beta}-glucuronidase and nitric acid, respectively, showed that the isomer was metabolized by conjugation to glucuronic acid and hydroxylation to a catechol. The findings from these studies and their implications in the biotransformation and estrogenicity of NP in Lymnaea stagnalis L. are further discussed in detail in this paper.

  10. Polar source analysis : technical memorandum

    Science.gov (United States)

    2017-09-29

    The following technical memorandum describes the development, testing and analysis of various polar source data sets. The memorandum also includes recommendation for potential inclusion in future releases of AEDT. This memorandum is the final deliver...

  11. Anodic Concentration Polarization in SOFCs

    Energy Technology Data Exchange (ETDEWEB)

    Williford, Rick E.; Chick, Lawrence A.; Maupin, Gary D.; Simner, Steve P.; Stevenson, Jeffry W.; Khaleel, Mohammad A.; Wachsman, ED, et al

    2003-08-01

    Concentration polarization is important because it determines the maximum power output of a solid oxide fuel cell (SOFC) at high fuel utilization. Anodic concentration polarization occurs when the demand for reactants exceeds the capacity of the porous ceramic anode to supply them by gas diffusion mechanisms. High tortuosities (bulk diffusion resistances) are often assumed to explain this behavior. However, recent experiments show that anodic concentration polarization originates in the immediate vicinity of the reactive triple phase boundary (TPB) sites near the anode/electrolyte interface. A model is proposed to describe how concentration polarization is controlled by two localized phenomena: competitive adsorption of reactants in areas adjacent to the reactive TPB sites, followed by relatively slow surface diffusion to the reactive sites. Results suggest that future SOFC design improvements should focus on optimization of the reactive area, adsorption, and surface diffusion at the anode/electrolyte interface.

  12. The definition of cross polarization

    DEFF Research Database (Denmark)

    Ludwig, Arthur

    1973-01-01

    There are at least three different definitions of cross polarization used in the literature. The alternative definitions are discussed with respect to several applications, and the definition which corresponds to one standard measurement practice is proposed as the best choice....

  13. Dynamic elections and ideological polarization

    Czech Academy of Sciences Publication Activity Database

    Nunnari, S.; Zápal, Jan

    2017-01-01

    Roč. 25, č. 4 (2017), s. 505-534 ISSN 1047-1987 Institutional support: Progres-Q24 Keywords : elections * political polarization Subject RIV: AH - Economics OBOR OECD: Economic Theory Impact factor: 3.361, year: 2016

  14. Dynamic elections and ideological polarization

    Czech Academy of Sciences Publication Activity Database

    Nunnari, S.; Zápal, Jan

    2017-01-01

    Roč. 25, č. 4 (2017), s. 505-534 ISSN 1047-1987 Institutional support: RVO:67985998 Keywords : elections * political polarization Subject RIV: AH - Economics OBOR OECD: Economic Theory Impact factor: 3.361, year: 2016

  15. Polarization at LEP. Vol. 2

    International Nuclear Information System (INIS)

    Alexander, G.; Altarelli, G.; Blondel, A.; Coignet, G.; Keil, E.; Plane, D.E.; Treille, D.

    1988-01-01

    This report contains a collection of papers covering the most important part of studies carried out by five study groups in view of a programme of experiments with polarized beams at LEP, the Large Electron-Positron collider under construction at CERN. The emphasis is on precision measurements at the Z peak. Such measurements are shown to be of considerable theoretical interest as well as very clean from the point of view of theoretical and experimental uncertainties. The measurement of the beam polarization can certainly be performed with sufficient accuracy, thanks to the availability of both e + and e - beam polarization. The normalization of the data taken with different beam helicities poses certain constraints that are described. Substantial progress has been made in understanding the possibility of providing longitudinally polarized beams in the LEP machine: The design of new wigglers and spin rotators, the study of correction procedures and results of numerical simulations are presented. (orig.)

  16. Mechanical writing of ferroelectric polarization.

    Science.gov (United States)

    Lu, H; Bark, C-W; Esque de los Ojos, D; Alcala, J; Eom, C B; Catalan, G; Gruverman, A

    2012-04-06

    Ferroelectric materials are characterized by a permanent electric dipole that can be reversed through the application of an external voltage, but a strong intrinsic coupling between polarization and deformation also causes all ferroelectrics to be piezoelectric, leading to applications in sensors and high-displacement actuators. A less explored property is flexoelectricity, the coupling between polarization and a strain gradient. We demonstrate that the stress gradient generated by the tip of an atomic force microscope can mechanically switch the polarization in the nanoscale volume of a ferroelectric film. Pure mechanical force can therefore be used as a dynamic tool for polarization control and may enable applications in which memory bits are written mechanically and read electrically.

  17. Mechanical Writing of Ferroelectric Polarization

    Science.gov (United States)

    Lu, H.; Bark, C.-W.; Esque de los Ojos, D.; Alcala, J.; Eom, C. B.; Catalan, G.; Gruverman, A.

    2012-04-01

    Ferroelectric materials are characterized by a permanent electric dipole that can be reversed through the application of an external voltage, but a strong intrinsic coupling between polarization and deformation also causes all ferroelectrics to be piezoelectric, leading to applications in sensors and high-displacement actuators. A less explored property is flexoelectricity, the coupling between polarization and a strain gradient. We demonstrate that the stress gradient generated by the tip of an atomic force microscope can mechanically switch the polarization in the nanoscale volume of a ferroelectric film. Pure mechanical force can therefore be used as a dynamic tool for polarization control and may enable applications in which memory bits are written mechanically and read electrically.

  18. N-Protonated Isomers and Coulombic Barriers to Dissociation of Doubly Protonated Ala8Arg

    Science.gov (United States)

    Haeffner, Fredrik; Irikura, Karl K.

    2017-10-01

    Collision-induced dissociation (or tandem mass spectrometry, MS/MS) of a protonated peptide results in a spectrum of fragment ions that is useful for inferring amino acid sequence. This is now commonplace and a foundation of proteomics. The underlying chemical and physical processes are believed to be those familiar from physical organic chemistry and chemical kinetics. However, first-principles predictions remain intractable because of the conflicting necessities for high accuracy (to achieve qualitatively correct kinetics) and computational speed (to compensate for the high cost of reliable calculations on such large molecules). To make progress, shortcuts are needed. Inspired by the popular mobile proton model, we have previously proposed a simplified theoretical model in which the gas-phase fragmentation pattern of protonated peptides reflects the relative stabilities of N-protonated isomers, thus avoiding the need for transition-state information. For singly protonated Ala n ( n = 3-11), the resulting predictions were in qualitative agreement with the results from low-energy MS/MS experiments. Here, the comparison is extended to a model tryptic peptide, doubly protonated Ala8Arg. This is of interest because doubly protonated tryptic peptides are the most important in proteomics. In comparison with experimental results, our model seriously overpredicts the degree of backbone fragmentation at N9. We offer an improved model that corrects this deficiency. The principal change is to include Coulombic barriers, which hinder the separation of the product cations from each other. Coulombic barriers may be equally important in MS/MS of all multiply charged peptide ions. [Figure not available: see fulltext.

  19. Dibenzoheptazethrene isomers with different biradical characters: An exercise of clar's aromatic sextet rule in singlet biradicaloids

    KAUST Repository

    Sun, Zhe

    2013-12-04

    Clar\\'s aromatic sextet rule has been widely used for the prediction of the reactivity and stability of polycyclic aromatic hydrocarbons with a closed-shell electronic configuration. Recent advances in open-shell biradicaloids have shown that the number of aromatic sextet rings plays an important role in determination of their ground states. In order to test the validity of this rule in singlet biradicaloids, the two soluble and stable dibenzoheptazethrene isomers DBHZ1 and DBHZ2 were prepared by different synthetic approaches and isolated in crystalline form. These two molecules have different numbers of aromatic sextet rings in their respective biradical resonance forms and thus are expected to exhibit varied singlet biradical character. This assumption was verified by different experimental methods, including nuclear magnetic resonance (NMR), electron spin resonance (ESR), superconducting quantum interference device (SQUID), steady-state and transient absorption spectroscopy (TA), and X-ray crystallographic analysis, assisted by unrestricted symmetry-broken density functional theory (DFT) calculations. DBHZ2, with more aromatic sextet rings in the biradical form, was demonstrated to possess greater biradical character than DBHZ1; as a result, DBHZ2 exhibited an intense one-photon absorption (OPA) in the near-infrared region (λabs max = 804 nm) and a large two-photon absorption (TPA) cross-section (σ(2)max = 2800 GM at 1600 nm). This investigation together with previous studies indicates that Clar\\'s aromatic sextet rule can be further extended to the singlet biradicaloids to predict their ground states and singlet biradical characters. © 2013 American Chemical Society.

  20. Polyfunctional radiosensitizers. VII. Radiosensitization by conformationally-restricted isomers of a nitroxyl biradical in vitro

    International Nuclear Information System (INIS)

    Millar, B.C.; Jenkins, T.C.; Smithen, C.E.; Jinks, S.

    1985-01-01

    Both trans-N,N'-bis(2,2,6,6-tetramethyl-1-oxy-4-piperidinyl)-1,2-diaminocyclopropane[Ro31-2269] and its cis isomer [Ro 31-2778] selectively sensitized hypoxic Chinese hamster cells, line V-79-753B, to radiation by decreasing both the D 0 value and extrapolation number, whereas a related dibasic monoradical Ro 31-2655 decreased D 0 alone.There was no evidence for competition between either biradical and 2,2,6,6-tetramethyl-4-piperidinol-N-oxyl (TMPN) at equimolar concentration or biradical and 0.82 μM oxygen when cells were equilibrated with the biradicals for 3 hr prior to irradiation in the presence of mixtures of either oxygen and biradical, TMPN and biradical, or TMPN alone. Examination of the plasma membrane from cells equilibrated with the trans biradical Ro 31-2269 showed that the drug accumulated in the membrane when compared with the concentration found in whole cells. Experiments with the conformationally-unrestricted biradical bis(2,2,6,6-tetramethyl-1-oxyl-4-piperidinyl) succinate [Ro 03-6061] showed that when cell were equilibrated with the compound for 1 hr prior to irradiation in hypoxia in the presence of a mixture containing an equimolar radical concentration of TMPN, there was an increase in both the slope and the extrapolation number compared with values for hypoxic cells irradiated in the presence of this biradical alone. The results are discussed in terms of a model to account for sensitization by these compounds

  1. New isomers in the neutron-rich A∼190 mass region

    International Nuclear Information System (INIS)

    Caamano, M.

    2002-02-01

    Previously unobserved isomeric states in 188 Ta, 190 W, 192 Re, 193 Re, 195 Os, 197 Ir, 198 Ir, 200 Pt, 201 Pt, 202 Pt and 203 Au, with half-lives ranging from 10 ns to 290 μs have been populated and studied using a fragmentation reaction in conjunction with a forward focussing spectrometer. In most cases, this provided the first ever spectroscopic data made available for the nucleus, and 200 Pt presented the first new seniority 4 state, on the basis of γ-γ coincidences, following a fragmentation reaction. Half-lives have been measured and tentative level schemes have been drawn for each isomer, spins and parities being consistent with blocked BCS calculations, hindrance factors, systematics and the relative intensities of γ-rays and X-rays (where possible). Isomeric ratios have been measured, values ranging from 1 % to 64 %. Potential Energy Surface calculations were performed in parallel to the blocked BCS calculations, in order to provide deformation parameters, excitation energies and quasiparticle configurations. Ground state (or lowest level) shape calculations reveal a change from axially symmetric, through triaxial, to spherical shapes across the data set, from 188 Ta to 203 Au, as 208 Pb is approached. Weisskopf hindrance factors provide evidence for the erosion of the goodness of the K-quantum number, compatible with soft or axially symmetric shapes. The prolate-oblate phase transition region, with respect to tungsten, osmium and platinum, shows 195 Os to be the pivotal nucleus in the osmium isotopic chain, with a calculated triaxial ground state. On comparison with the systematics of the region, results obtained for 190 W show evidence for a Z ≤ 74 sub-shell closure, analogous to that at Z = 64. Finally, new isotopes, 167 Tb, 170 Dy and 199 Ir were discovered. (author)

  2. Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.

    Science.gov (United States)

    Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B

    2017-03-07

    The influence of the substitution, orientation and structure of the phosphido bridges in [Fe 2 (CO) 6 (μ-PR 2 ) 2 ] electrocatalysts of proton reduction has been studied. The isomers e,a-[Fe 2 (CO) 6 {μ-P(Ar)H} 2 ] (1a(Ar): Ar = Ph, 2'-methoxy-1,1'-binaphthyl (bn')), e,e-[Fe 2 (CO) 6 {μ-P(Ar)H} 2 ] (1b(Ar): Ar = Ph, bn') were isolated from reactions of iron pentacarbonyl and the corresponding primary phosphine, syntheses that also afforded the phosphinidene-capped tri-iron clusters, [Fe 3 (CO) 9 (μ-CO)(μ 3 -Pbn')] (2) and [Fe 3 (CO) 9 (μ 3 -PAr) 2 ] (3(Ar), Ar = Ph, bn'). A ferrocenyl (Fc)-substituted dimer [Fe 2 (CO) 6 {μ:μ'-1,2-(P(CH 2 Fc)CH 2 ) 2 C 6 H 4 }] (4), in which the two phosphido bridges are linked by an o-xylyl group, was also prepared. The molecular structures of complexes 1a(Ph), 1b(Ph), 1b(bn'), 2 and 4 were established by X-ray crystallography. All complexes have been examined as electrocatalysts for proton reduction using p-toluene sulfonic acid in tetrahydrofuran. Cyclic voltammograms of the dimers with acid exhibit two catalysis waves for proton reduction. The first wave, which appears at the potential of the primary reduction, reaches maximum current (turnover) at moderate acid concentrations and is rapidly overtaken by the second wave, which appears at more negative potential. Both of these reductive waves show an initial first order dependence on acid. The electrochemistry and electrocatalyses of the [Fe 2 (CO) 6 (μ-PR 2 ) 2 ] dimers show subtle variations with the nature of the bridging phosphido group(s), including the orientation of bridgehead hydrogen atoms.

  3. Structural Dynamics in Metal Tris-hydroxyquinolines: Interconversion of Meridianal and Facial Alq3 Isomers

    Science.gov (United States)

    Ferris, Kim; Sapochak, Linda; Burrows, Paul; Rodovsky, Deanna; Marmolejo, Theresa

    2004-03-01

    While previous work investigating the charge transport properties of Alq3 has indicated that the meridianal (mer) conformation of Alq3 is predominant species, recent work suggesting identification of a facial (fac) form raises again the question of heterogeneity. Electronic structure computations from our group have noted that the energy difference(in parenthesis) between the mer and fac conformations is highly sensitive to basis set description (8.6 kcal/mol//3-21g*/SCF; 6.9 kcal/mol//6-31g*/SCF), electron correlation (6.0 kcal/mol//3-21g*/MP2; 4.7 kcal/mol//6-31g*/MP2), and solvent effects (4.4 kcal/mol/3-21g*/SCF/DMSO). Given these small energy differences, we have conducted a series of Hartree-Fock and first principles electronic structure computations on the interconversion of these structural forms, and will report on the structural and energetic aspects of the transformation. The likely reaction path involves lengthening of the Al-N bond to the point where a pentacoordinate intermediate or transition state would be formed, followed by flipping of the ligand through rotation around the Al-O bond. Following Schmidbauer's earlier work, we note that transformation involving only one ligand will actually lead to a facial isomer. Preliminary characterization of this transition state suggests that the activation energy is approximately 20-25 kcal/mol above the mer conformation. The authors gratefully acknowledge financial support from PNNL Laboratory Directed Research and Development Project and the U.S. Department of Energy, Office of Science, Materials Sciences Division.

  4. Bioaccumulation of HCH isomers in selected macroinvertebrates from the Elbe River: sources and environmental implications.

    Science.gov (United States)

    Kolaříková, Kateřina; von Tümpling, Wolf; Bartels, Peter

    2013-05-01

    Sediments of the Elbe River have been extremely polluted by contaminants originating from previous large-scale hexachlorocyclohexane (HCH) production and the application of γ-HCH (lindane) in its catchment in the second half of the twentieth century. In order to gain knowledge on bioaccumulation processes at lower trophic levels, field investigations of HCHs in macroinvertebrates were carried out along the longitudinal profile of the Elbe and tributary. Among the sites studied, concentrations in macroinvertebrates ranged within five orders of magnitude (0.01-100 μg/kg). In general, lower values of HCH isomers were observed at all Czech sites (mostly <1 μg/kg) compared with those in Germany. At the most contaminated site, Spittelwasser brook (a tributary of the Mulde), extremely high concentrations were measured (up to 234 μg/kg α-HCH and 587 μg/kg β-HCH in Hydropsychidae). In contrast, the Obříství site, though also influenced by HCH production facilities, showed only negligibly elevated values (mostly <1 μg/kg). Results showed that fairly high levels of α-HCH and β-HCH compared to γ-HCH can still be detected in aquatic environments of the Elbe catchment, and these concentrations are decreasing over time to a lesser extent than γ-HCH. Higher HCH concentrations in sediments in the springtime are considered to be the result of erosion and transport processes during and after spring floods, and lower concentrations at sites downstream are thought to be caused by the time lapse involved in the transportation of contaminated particles from upstream. In addition, comparison with fish (bream) data from the literature revealed no increase in tissue concentrations between invertebrates and fish.

  5. 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

  6. Solid Polarized Targets and Applications

    International Nuclear Information System (INIS)

    Crabb, D. G.

    2008-01-01

    Examples are given of dynamically polarized targets in use today and how the subsystems have changed to meet the needs of todays experiments. Particular emphasis is placed on target materials such as ammonia and lithium deuteride. Recent polarization studies of irradiated materials such as butanol, deuterated butanol, polyethylene, and deuterated polyethylene are presented. The operation of two non-DNP target systems as well as applications of traditional DNP targets are briefly discussed

  7. Artificial anisotropy and polarizing filters.

    Science.gov (United States)

    Flory, François; Escoubas, Ludovic; Lazaridès, Basile

    2002-06-01

    The calculated spectral transmittance of a multilayer laser mirror is used to determine the effective index of the single layer equivalent to the multilayer stack. We measure the artificial anisotropy of photoresist thin films whose structure is a one-dimensional, subwavelength grating obtained from interference fringes. The limitation of the theory of the first-order effective index homogenization is discussed. We designed normal-incidence, polarizing coating and a polarization rotator by embedding anisotropic films in simple multilayer structures.

  8. Polarization bremsstrahlung in α decay

    International Nuclear Information System (INIS)

    Amusia, M. Ya.; Zon, B. A.; Kretinin, I. Yu.

    2007-01-01

    A mechanism of formation of electromagnetic radiation that accompanies α decay and is associated with the emission of photons by electrons of atomic shells due to the scattering of α particles by these atoms (polarization bremsstrahlung) is proposed. It is shown that, when the photon energy is no higher than the energy of K electrons of an atom, polarization bremsstrahlung makes a significant contribution to the bremsstrahlung in α decay

  9. Coherent states with elliptical polarization

    OpenAIRE

    Colavita, E.; Hacyan, S.

    2004-01-01

    Coherent states of the two dimensional harmonic oscillator are constructed as superpositions of energy and angular momentum eigenstates. It is shown that these states are Gaussian wave-packets moving along a classical trajectory, with a well defined elliptical polarization. They are coherent correlated states with respect to the usual cartesian position and momentum operators. A set of creation and annihilation operators is defined in polar coordinates, and it is shown that these same states ...

  10. Trans-18:1 isomers in rat milk fat as effective biomarkers for the determination of individual isomeric trans-18:1 acids in the dams' diet.

    Science.gov (United States)

    Wolff, Robert L

    2003-11-01

    Female rats were fed a diet containing by weight 10% partially hydrogenated sunflower oil, 2% sunflower oil, and 1% rapeseed oil during gestation and lactation. The trans-18:1 isomer profile of the fat supplement was (in % of total trans 18:1 acids in the fat supplement): delta4, 0.5; delta5, 1.0; delta6-delta8, 18.0; delta9 (elaidic), 13.5; delta10, 22.2; delta11 (vaccenic), 16.0; delta12, 11.3; delta13-delta14, 12.8; delta15, 2.5; and delta16, 2.2 (total trans 18:1 acids in the fat supplement: 40.6%). The cis 18:1 isomer profile was (in % of total cis-18:1 isomers): delta6-delta8, 2.1; delta9 (oleic), 70.9; delta10, 6.1; delta11, 8.3; delta12, 4.0; delta13, 2.8; delta14, 4.6, and delta15, 1.2 (total cis-18:1 acids in the fat supplement: 32.6%). Suckling rats from four litters were sacrificed at day 17 or 18 after birth, and their stomach content (milk) was analyzed. The trans-18:1 isomer profile of milk was (relative proportions, in % of total): delta4, 0.3; delta5, 1.1; delta6-delta8, 16.8; delta9, 15.3; delta10, 22.0; delta11, 16.7; delta12, 11.8; delta13-14, 11.8; delta15, 2.5, and delta16, 1.9 (total trans 18:1 acids in milk: %). That of cis-18:1 isomers was (proportions in % relative to total cis-18:1 isomers): delta6-delta8, 4.7; delta9, 72.5; delta10, 4.0; delta11, 8.0; delta12, 7.1; delta13, 1.9; delta14, 1.0, and delta15, 0.7 (total cis-18:1 acids in milk: %). These results demonstrate that all isomeric acids, independent of the geometry and the position of the ethylenic bond, are incorporated into milk lipids. With regard to trans-18:1 isomers, the distribution profile in milk is identical to that in the dams' diet, i.e., there is no discrimination against any positional isomer between their ingestion and their deposition into milk lipids. As a consequence, this study indicates that the trans-18:1 isomer profile of milk reflects that in the dams' diet and supports our earlier hypothesis that the profile of trans-18:1 isomers in milk can be used to

  11. Polarization of Coronal Forbidden Lines

    Energy Technology Data Exchange (ETDEWEB)

    Li, Hao; Qu, Zhongquan [Yunnan Observatories, Chinese Academy of Sciences, Kunming, Yunnan 650011 (China); Landi Degl’Innocenti, Egidio, E-mail: sayahoro@ynao.ac.cn [Dipartimento di Astronomia e Scienza dello Spazio, Università di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy)

    2017-03-20

    Since the magnetic field is responsible for most manifestations of solar activity, one of the most challenging problems in solar physics is the diagnostics of solar magnetic fields, particularly in the outer atmosphere. To this end, it is important to develop rigorous diagnostic tools to interpret polarimetric observations in suitable spectral lines. This paper is devoted to analyzing the diagnostic content of linear polarization imaging observations in coronal forbidden lines. Although this technique is restricted to off-limb observations, it represents a significant tool to diagnose the magnetic field structure in the solar corona, where the magnetic field is intrinsically weak and still poorly known. We adopt the quantum theory of polarized line formation developed in the framework of the density matrix formalism, and synthesize images of the emergent linear polarization signal in coronal forbidden lines using potential-field source-surface magnetic field models. The influence of electronic collisions, active regions, and Thomson scattering on the linear polarization of coronal forbidden lines is also examined. It is found that active regions and Thomson scattering are capable of conspicuously influencing the orientation of the linear polarization. These effects have to be carefully taken into account to increase the accuracy of the field diagnostics. We also found that linear polarization observation in suitable lines can give valuable information on the long-term evolution of the magnetic field in the solar corona.

  12. Polarization in free electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Papadichev, V.A. [Lebedev Physical Institute, Moscow (Russian Federation)

    1995-12-31

    Polarization of electromagnetic radiation is required very often in numerous scientific and industrial applications: studying of crystals, molecules and intermolecular interaction high-temperature superconductivity, semiconductors and their transitions, polymers and liquid crystals. Using polarized radiation allows to obtain important data (otherwise inaccessible) in astrophysics, meteorology and oceanology. It is promising in chemistry and biology for selective influence on definite parts of molecules in chain synthesis reactions, precise control of various processes at cell and subcell levels, genetic engineering etc. Though polarization methods are well elaborated in optics, they can fail in far-infrared, vacuum-ultraviolet and X-ray regions because of lack of suitable non-absorbing materials and damaging of optical elements at high specific power levels. Therefore, it is of some interest to analyse polarization of untreated FEL radiation obtained with various types of undulators, with and without axial magnetic field. The polarization is studied using solutions for electron orbits in various cases: plane or helical undulator with or without axial magnetic field, two plane undulators, a combination of right- and left-handed helical undulators with equal periods, but different field amplitudes. Some examples of how a desired polarization (elliptical circular or linear) can be obtained or changed quickly, which is necessary in many experiments, are given.

  13. Superconducting polarizing magnet for a movable polarized target

    International Nuclear Information System (INIS)

    Anishchenko, N.G.; Bartenev, V.D.; Blinov, N.A.

    1998-01-01

    The superconducting polarizing magnet was constructed for the JINR (Dubna) movable polarized target (MPT) with working volume 200 mm long and 30 mm in diameter. The magnet provides a polarizing magnetic field up to 6 T in the centre with the uniformity of 4.5 x 10 -4 in the working volume of the target. The magnet contains a main solenoidal winding 558 mm long and 206/144 mm in diameters, and compensating and correcting winding placed at its ends. The windings are made of a NbTi wire, impregnated with the epoxy resin and placed in the horizontal cryostat. The diameter of the 'warm' aperture of the magnet cryostat is 96 mm. The design and technology of the magnet winding are described. Results of the magnetic field map measurements, using a NMR-magnetometer are given. A similar magnet constructed at DAPNIA, CEA/Saclay (France), represented a model for the present development. The MPT array is installed in the beam line of polarized neutrons produced by break-up of polarized deuterons extracted from the synchrophasotron of the Laboratory of High Energies (LHE), JINR (Dubna)

  14. Polarization fluctuations in stationary light beams

    International Nuclear Information System (INIS)

    Shevchenko, A.; Setaelae, T.; Kaivola, M.; Friberg, A.T.; Royal Institute of Technology , Department of Microelectronics and Applied Physics; Sweden)

    2009-01-01

    For stationary beams the degree of polarization contains only limited information on time dependent polarization. Two approaches towards assessing a beams polarization dynamics, one based on Poincare and the other on Jones vector formalism, are described leading to the notion of polarization time. Specific examples of partially temporally coherent electromagnetic beams are discussed. (Author)

  15. FIRST POLARIZED PROTON COLLISIONS AT RHIC

    International Nuclear Information System (INIS)

    ROSER, T.; AHRENS, L.; ALESSI, J.; BAI, M.; BEEBE-WANG, J.; BRENNAN, J.M.; BROWN, K.A.; BUNCE, G.; CAMERON, P.; COURANT, E.D.; DREES, A.; FISCHER, W.; FLILLER, R. III; GLENN, W.; HUANG, H.; LUCCIO, A.U.; MACKAY, W.W.; MAKDISI, Y.; MONTAG, C.; PILAT, F.; PTITSYN, V.; SATOGATA, T.

    2002-01-01

    We successfully injected polarized protons in both RHIC rings and maintained polarization during acceleration up to 100 GeV per ring using two Siberian snakes in each ring. Each snake consists of four helical superconducting dipoles which rotate the polarization by 180 o about a horizontal axis. This is the first time that polarized protons have been accelerated to 100 GeV

  16. Apico-basal polarity complex and cancer

    Indian Academy of Sciences (India)

    Apico-basal polarity is a cardinal molecular feature of adult eukaryotic epithelial cells and appears to be involved in several key cellular processes including polarized cell migration and maintenance of tissue architecture. Epithelial cell polarity is maintained by three well-conserved polarity complexes, namely, PAR, Crumbs ...

  17. Inclusive quasielastic scattering of polarized electrons from polarized nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Amaro, J.E. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Universidad de Granada (Spain). Dept. de Fisica Moderna]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Caballero, J.A. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia]|[Sevilla Univ. (Spain). Dept. de Fisica Atomica, Molecular y Nuclear; Donnelly, T.W. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Center for Theoretical Physics]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Lab. for Nuclear Science]|[Massachusetts Inst. of Tech., Cambridge, MA (United States). Dept. of Physics; Moya de Guerra, E. [Consejo Superior de Investigaciones Cientificas (CSIC), Madrid (Spain). Inst. de Estructura de la Materia

    1996-12-23

    The inclusive quasielastic response functions that appear in the scattering of polarized electrons from polarized nuclei are computed and analyzed for several closed-shell-minus-one nuclei with special attention paid to {sup 39}K. Results are presented using two models for the ejected nucleon - when described by a distorted wave in the continuum shell model or by a plane wave in PWIA with on- and off-shell nucleons. Relativistic effects in kinematics and in the electromagnetic current have been incorporated throughout. Specifically, the recently obtained expansion of the electromagnetic current in powers only of the struck nucleon`s momentum is employed for the on-shell current and the effects of the first-order terms (spin-orbit and convection) are compared with the zeroth-order (charge and magnetization) contributions. The use of polarized inclusive quasielastic electron scattering as a tool for determining near-valence nucleon momentum distributions is discussed. (orig.).

  18. System for measuring of proton polarization in polarized target

    International Nuclear Information System (INIS)

    Derkach, A.Ya.; Lukhanin, A.A.; Karnaukhov, I.M.; Kuz'menko, V.S.; Telegin, Yu.N.; Trotsenko, V.I.; Chechetenko, V.F.

    1981-01-01

    Measurement system of proton polarization in the target, which uses the method of nuclear magnetic resonance is described. To record the signal of NMR-absorption a parallel Q-meter of voltage with analogous subtraction of resonance characteristics of measurement circuit is used. To obtain gradual sensitivity of the system to polarization state in the whole volume of the target the measurement coils is made of tape conductor. The analysis and mathematical modelling of Q-meter are carried out. Corrections for nonlinearity and dispersion are calculated. Key diagrams of the main electron blocks of Q-meter are presented. The system described operates on line with the M6000 computer. Total error of measurement of polarization value of free protons in the target does not exceed 6% [ru

  19. System of measurement of proton polarization in a polarized target

    Energy Technology Data Exchange (ETDEWEB)

    Karnaukov, I.M.; Chechetenko, V.F.; Lukhanin, A.A.; Telegin, Y.N.; Trotsenko, V.I.

    1985-05-01

    This paper describes a nuclear magnetic resonance spectrometer with high sensitivity. The signal of NMR absorption is recorded by a Q-meter with a series circuit and a circuit for compensation of the resonance characteristic of the measuring circuit. In order to ensure uniform sensitivity of the system to the state of polarization throughout the volume of the target and to enhance the S/N ration the measuring coil is made of a flat conductor. The polarization-measuring system works on-line with an M-6000 computer. The total error of measurement of the polarization of free protons in a target with allowance for the error due to local depolarization of free protons in a target with allowance for the error due to local depolarization of the working substance under irradiation with an intense photon beam is less than or equal to 6%.

  20. Determination of nonylphenol isomers in landfill leachate and municipal wastewater using steam distillation extraction coupled with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry.

    Science.gov (United States)

    Zhang, Caixiang; Eganhouse, Robert P; Pontolillo, James; Cozzarelli, Isabelle M; Wang, Yanxin

    2012-03-23

    4-Nonylphenols (4-NPs) are known endocrine disruptors and by-products of the microbial degradation of nonylphenol polyethoxylate surfactants. One of the challenges to understanding the toxic effects of nonylphenols is the large number of isomers that may exist in environmental samples. In order to attribute toxic effects to specific compounds, a method is needed for the separation and quantitation of individual nonylphenol isomers. The pre-concentration methods of solvent sublimation, solid-phase extraction or liquid-liquid extraction prior to chromatographic analysis can be problematic because of co-extraction of thousands of compounds typically found in complex matrices such as municipal wastewater or landfill leachate. In the present study, steam distillation extraction (SDE) was found to be an effective pre-concentration method for extraction of 4-NPs from leachate and wastewater, and comprehensive two-dimensional gas chromatography (GC×GC) coupled with fast mass spectral data acquisition by time-of-flight mass spectrometry (ToFMS) enhanced the resolution and identification of 4-NP isomers. Concentrations of eight 4-NP isomers were determined in leachate from landfill cells of different age and wastewater influent and effluent samples. 4-NP isomers were about 3 times more abundant in leachate from the younger cell than the older one, whereas concentrations in wastewater effluent were either below detection limits or <1% of influent concentrations. 4-NP isomer distribution patterns were found to have been altered following release to the environment. This is believed to reflect isomer-specific degradation and accumulation of 4-NPs in the aquatic environment. Copyright © 2012 Elsevier B.V. All rights reserved.