WorldWideScience

Sample records for polar functional group

  1. The enhanced spin-polarized transport behaviors through cobalt benzene-porphyrin-benzene molecular junctions: the effect of functional groups

    Science.gov (United States)

    Cheng, Jue-Fei; Zhou, Liping; Wen, Zhongqian; Yan, Qiang; Han, Qin; Gao, Lei

    2017-05-01

    The modification effects of the groups amino (NH2) and nitro (NO2) on the spin polarized transport properties of the cobalt benzene-porphyrin-benzene (Co-BPB) molecule coupled to gold (Au) nanowire electrodes are investigated by the nonequilibrium Green’s function method combined with the density functional theory. The calculation results show that functional groups can lead to the significant spin-filter effect, enhanced low-bias negative differential resistance (NDR) behavior and novel reverse rectifying effect in Co-BPB molecular junction. The locations and types of functional groups have distinct influences on spin-polarized transport performances. The configuration with NH2 group substituting H atom in central porphyrin ring has larger spin-down current compared to that with NO2 substitution. And Co-BPB molecule junction with NH2 group substituting H atom in side benzene ring shows reverse rectifying effect. Detailed analyses confirm that NH2 and NO2 group substitution change the spin-polarized transferred charge, which makes the highest occupied molecular orbitals (HOMO) of spin-down channel of Co-BPB closer to the Fermi level. And the shift of HOMO strengthens the spin-polarized coupling between the molecular orbitals and the electrodes, leading to the enhanced spin-polarized behavior. Our findings might be useful in the design of multi-functional molecular devices in the future.

  2. Sorption behavior of charged and neutral polar organic compounds on solid phase extraction materials: which functional group governs sorption?

    NARCIS (Netherlands)

    Bäuerlein, P.S.; Mansell, J.E.; ter Laak, T.L.; de Voogt, P.

    2012-01-01

    Numerous polar anthropogenic organic chemicals have been found in the aqueous environment. Solid phase extraction (SPE) has been applied for the isolation of these from aqueous matrices, employing various materials. Nevertheless, little is known about the influence of functional groups on the

  3. Summary of the polarized beam working group

    International Nuclear Information System (INIS)

    Wienands, U.; Dyck, O. van.

    1989-05-01

    The polarized beam working group reviewed the AGS Bookster and TRIUMF KAON Factory facilities, heard an overview of the subject of siberian snakes, discussed internal polarized gas targets, and made recommendations for further study

  4. Polarization and Persuasion: Integrating the Elaboration Likelihood Model with Explanations of Group Polarization.

    Science.gov (United States)

    Mongeau, Paul A.

    Interest has recently focused on group polarization as a function of attitude processes. Several recent reviewers have challenged polarization researchers to integrate the explanations of polarization to existing theories of attitude change. This review suggests that there exists a clear similarity between the social comparison and persuasive…

  5. CB 1/2 dual agonists with 3-carbamoyl 2-pyridone derivatives as antipruritics: reduction of CNS side effects by introducing polar functional groups.

    Science.gov (United States)

    Odan, Masahide; Ishizuka, Natsuki; Hiramatsu, Yoshiharu; Inagaki, Masanao; Hashizume, Hiroshi; Fujii, Yasuhiko; Mitsumori, Susumu; Morioka, Yasuhide; Soga, Masahiko; Deguchi, Masashi; Yasui, Kiyoshi; Arimura, Akinori

    2012-04-15

    Our lead compound 1 showed high affinity for both CB1 and CB2 receptors, suggesting the possibility of inducing psychoactive side effects through the CB1 receptor in the brain. To solve this issue, polar functional groups were introduced at the 3-position of the pyridone core of compound 1 to find CB1/2 dual agonists such as 17 and 20 which did not show any CNS side effects. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Report of the polarization group

    International Nuclear Information System (INIS)

    Ford, W.; Kondo, K.; Martin, F.; Manning, G.; Miller, D.; Prescott, C.

    1975-01-01

    The use of longitudinal polarization in the reaction e + e - → μ + μ - was studied. Modifications of the magnetic insertion which could reduce synchrotron radiation by two or more were considered. In addition, a specific design is suggested which incorporates the optimized magnetic configuration; it is assumed that no particle detection is necessary near the interaction vertex and the synchrotron radiation is ''dumped'' up - and downstream. Also considered were vacuum chambers in which the synchrotron radiation is absorbed locally so that shielded regions are provided for detectors near the interaction vertex. A scheme for rotating the polarization outside the experiment areas is detailed; in this way the design of experiments is greatly simplified. Local intense ionization of residual gas in the interaction region due to synchrotron radiation at the insertion was studied. Finally, some general considerations in the production and measurement of beam polarization are summarized. 2 figures

  7. Palladium/IzQO-Catalyzed Coordination-Insertion Copolymerization of Ethylene and 1,1-Disubstituted Ethylenes Bearing a Polar Functional Group.

    Science.gov (United States)

    Yasuda, Hina; Nakano, Ryo; Ito, Shingo; Nozaki, Kyoko

    2018-02-07

    Coordination-insertion copolymerization of ethylene with 1,1-disubstituted ethylenes bearing a polar functional group, such as methyl methacrylate (MMA), is a long-standing challenge in catalytic polymerization. The major obstacle for this process is the huge difference in reactivity of ethylene versus 1,1-disubstituted ethylenes toward both coordination and insertion. Herein we report the copolymerization of ethylene and 1,1-disubstituted ethylenes by using an imidazo[1,5-a]quinolin-9-olate-1-ylidene-supported palladium catalyst. Various types of 1,1-disubstituted ethylenes were successfully incorporated into the polyethylene chain. In-depth characterization of the obtained copolymers and mechanistic inferences drawn from stoichiometric reactions of alkylpalladium complexes with methyl methacrylate and ethylene indicate that the copolymerization proceeds by the same coordination-insertion mechanism that has been postulated for ethylene.

  8. Renormalization Group Functional Equations

    CERN Document Server

    Curtright, Thomas L

    2011-01-01

    Functional conjugation methods are used to analyze the global structure of various renormalization group trajectories. With minimal assumptions, the methods produce continuous flows from step-scaling {\\sigma} functions, and lead to exact functional relations for the local flow {\\beta} functions, whose solutions may have novel, exotic features, including multiple branches. As a result, fixed points of {\\sigma} are sometimes not true fixed points under continuous changes in scale, and zeroes of {\\beta} do not necessarily signal fixed points of the flow, but instead may only indicate turning points of the trajectories.

  9. Functional Group Analysis.

    Science.gov (United States)

    Smith, Walter T., Jr.; Patterson, John M.

    1984-01-01

    Literature on analytical methods related to the functional groups of 17 chemical compounds is reviewed. These compounds include acids, acid azides, alcohols, aldehydes, ketones, amino acids, aromatic hydrocarbons, carbodiimides, carbohydrates, ethers, nitro compounds, nitrosamines, organometallic compounds, peroxides, phenols, silicon compounds,…

  10. Theoretical analysis of polarized structure functions

    International Nuclear Information System (INIS)

    Altarelli, G.; ); Ball, R.D.; Forte, S.; Ridolfi, G.

    1998-01-01

    We review the analysis of polarized structure function data using perturbative QCD and NLO We use the most recent experimental data to obtain updated results for polarized parton distributions, first moments and the strong coupling. We also discuss several theoretical issues involving in this analysis and in the interpretation of its results. Finally, we compare our results with other similar analyses in the recent literature. (author)

  11. Theoretical Analysis of Polarized Structure Functions

    CERN Document Server

    Altarelli, Guido; Forte, Stefano; Ridolfi, G

    1998-01-01

    We review the analysis of polarized structure function data using perturbative QCD at next-to-leading order. We use the most recent experimental data to obtain updated results for polarized parton distributions, first moments and the strong coupling. We also discuss several theoretical issues involved in this analysis and in the interpretation of its results. Finally, we compare our results with other similar analyses in the recent literature.

  12. Polarized DIS Structure Functions from Neural Networks

    International Nuclear Information System (INIS)

    Del Debbio, L.; Guffanti, A.; Piccione, A.

    2007-01-01

    We present a parametrization of polarized Deep-Inelastic-Scattering (DIS) structure functions based on Neural Networks. The parametrization provides a bias-free determination of the probability measure in the space of structure functions, which retains information on experimental errors and correlations. As an example we discuss the application of this method to the study of the structure function g 1 p (x,Q 2 )

  13. Functional Reflective Polarizer for Augmented Reality and Color Vision Deficiency

    Science.gov (United States)

    2016-03-03

    augment reality system is relatively high as compared to a polarizing beam splitter or a conventional reflective polarizer. Such a functional reflective...brightness of the display [7]. A key component for polarization management is polarizing beam splitter (PBS). Even though the PBS has exceptional...polarizer that can be incorporated into a compact augmented reality system. The design principle of the functional reflective polarizer is explained and

  14. Fragmentation functions of polarized heavy quarkonium

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  15. Polarity Control in Group-III Nitrides beyond Pragmatism

    Science.gov (United States)

    Mohn, Stefan; Stolyarchuk, Natalia; Markurt, Toni; Kirste, Ronny; Hoffmann, Marc P.; Collazo, Ramón; Courville, Aimeric; Di Felice, Rosa; Sitar, Zlatko; Vennéguès, Philippe; Albrecht, Martin

    2016-05-01

    Controlling the polarity of polar semiconductors on nonpolar substrates offers a wealth of device concepts in the form of heteropolar junctions. A key to realize such structures is an appropriate buffer-layer design that, in the past, has been developed by empiricism. GaN or ZnO on sapphire are prominent examples for that. Understanding the basic processes that mediate polarity, however, is still an unsolved problem. In this work, we study the structure of buffer layers for group-III nitrides on sapphire by transmission electron microscopy as an example. We show that it is the conversion of the sapphire surface into a rhombohedral aluminum-oxynitride layer that converts the initial N-polar surface to Al polarity. With the various AlxOyNz phases of the pseudobinary Al2O3 -AlN system and their tolerance against intrinsic defects, typical for oxides, a smooth transition between the octahedrally coordinated Al in the sapphire and the tetrahedrally coordinated Al in AlN becomes feasible. Based on these results, we discuss the consequences for achieving either polarity and shed light on widely applied concepts in the field of group-III nitrides like nitridation and low-temperature buffer layers.

  16. Framing effects in group investment decision making: role of group polarization.

    Science.gov (United States)

    Cheng, Pi-Yueh; Chiou, Wen-Bin

    2008-02-01

    Prospect theory proposes that framing effects result in a preference for risk-averse choices in gain situations and risk-seeking choices in loss situations. However, in group polarization situations, groups show a pronounced tendency to shift toward more extreme positions than those they initially held. Whether framing effects in group decision making are more prominent as a result of the group-polarization effect was examined. Purposive sampling of 120 college students (57 men, 63 women; M age = 20.1 yr., SD = 0.9) allowed assessment of relative preference between cautious and risky choices in individual and group decisions. Findings indicated that both group polarization and framing effects occur in investment decisions. More importantly, group decisions in a gain situation appear to be more cautious, i.e., risk averse, than individual decisions, whereas group decisions in the loss situation appear to be more risky than individual decisions. Thus, group decision making may expand framing effects when it comes to investment choices through group polarization.

  17. RETRIEVAL OF AEROSOL PHASE FUNCTION AND POLARIZED PHASE FUNCTION FROM POLARIZATION OF SKYLIGHT FOR DIFFERENT OBSERVATION GEOMETRIES

    Directory of Open Access Journals (Sweden)

    L. Li

    2018-04-01

    Full Text Available The phase function and polarized phase function are important optical parameters, which describe scattering properties of atmospheric aerosol particles. Polarization of skylight induced by the scattering processes is sensitive to the scattering properties of aerosols. The Stokes parameters I, Q, U and the polarized radiance Lp of skylight measured by the CIMEL dual-polar sun-sky radiometer CE318- DP can be use to retrieve the phase function and polarized phase function, respectively. Two different observation geometries (i.e., the principal plane and almucantar are preformed by the CE318-DP to detect skylight polarization. Polarization of skylight depends on the illumination and observation geometries. For the same solar zenith angle, retrievals of the phase function and the polarized phase function are still affected by the observation geometry. The performance of the retrieval algorithm for the principal plane and almucantar observation geometries was assessed by the numerical experiments at two typical high and low sun’s positions (i.e. solar zenith angles are equal to 45° and 65°. Comparing the results for the principal plane and almucantar geometries, it is recommended to utilize the principal plane observations to retrieve the phase function when the solar zenith angle is small. The Stokes parameter U and the polarized radiance Lp from the almucantar observations are suggested to retrieve the polarized phase function, especially for short wavelength channels (e.g., 440 and 500 nm.

  18. Retrieval of Aerosol Phase Function and Polarized Phase Function from Polarization of Skylight for Different Observation Geometries

    Science.gov (United States)

    Li, L.; Qie, L. L.; Xu, H.; Li, Z. Q.

    2018-04-01

    The phase function and polarized phase function are important optical parameters, which describe scattering properties of atmospheric aerosol particles. Polarization of skylight induced by the scattering processes is sensitive to the scattering properties of aerosols. The Stokes parameters I, Q, U and the polarized radiance Lp of skylight measured by the CIMEL dual-polar sun-sky radiometer CE318- DP can be use to retrieve the phase function and polarized phase function, respectively. Two different observation geometries (i.e., the principal plane and almucantar) are preformed by the CE318-DP to detect skylight polarization. Polarization of skylight depends on the illumination and observation geometries. For the same solar zenith angle, retrievals of the phase function and the polarized phase function are still affected by the observation geometry. The performance of the retrieval algorithm for the principal plane and almucantar observation geometries was assessed by the numerical experiments at two typical high and low sun's positions (i.e. solar zenith angles are equal to 45° and 65°). Comparing the results for the principal plane and almucantar geometries, it is recommended to utilize the principal plane observations to retrieve the phase function when the solar zenith angle is small. The Stokes parameter U and the polarized radiance Lp from the almucantar observations are suggested to retrieve the polarized phase function, especially for short wavelength channels (e.g., 440 and 500 nm).

  19. Computing the hadronic vacuum polarization function by analytic continuation

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Xu [KEK National High Energy Physics, Tsukuba (Japan); Hashimoto, Shoji [KEK National High Energy Physics, Tsukuba (Japan); The Graduate Univ. for Advanced Studies, Tsukuba (Japan). School of High Energy Accelerator Science; Hotzel, Grit [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Petschlies, Marcus [The Cyprus Institute, Nicosia (Cyprus); Renner, Dru B. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States)

    2013-07-15

    We propose a method to compute the hadronic vacuum polarization function on the lattice at continuous values of photon momenta bridging between the space-like and time-like regions. We provide two independent derivations of this method showing that it leads to the desired hadronic vacuum polarization function in Minkowski space-time. We show with the example of the leading- order QCD correction to the muon anomalous magnetic moment that this approach can provide a valuable alternative method for calculations of physical quantities where the hadronic vacuum polarization function enters.

  20. Magnetic susceptibility of functional groups

    International Nuclear Information System (INIS)

    Herr, T.; Ferraro, M.B.; Contreras, R.H.

    1990-01-01

    Proceeding with a series of works where new criteria are applied to the the calculation of the contribution of molecular fragments to certain properties, results are presented for a group of 1-X-benzenes and 1-X-naphtalenes for the magnetic susceptibility constant. Both the diamagnetic and paramagnetic parts are taken into account. To reduce the problems associated with the Gauge dependence originated in the approximations made, Gauge independent atomic orbitals (GIAO) orbitals are used in the atomic orbital basis. Results are discussed in terms of functional groups. (Author). 17 refs., 1 fig., 3 tabs

  1. Echo Chambers: Emotional Contagion and Group Polarization on Facebook

    Science.gov (United States)

    Del Vicario, Michela; Vivaldo, Gianna; Bessi, Alessandro; Zollo, Fabiana; Scala, Antonio; Caldarelli, Guido; Quattrociocchi, Walter

    2016-12-01

    Recent findings showed that users on Facebook tend to select information that adhere to their system of beliefs and to form polarized groups - i.e., echo chambers. Such a tendency dominates information cascades and might affect public debates on social relevant issues. In this work we explore the structural evolution of communities of interest by accounting for users emotions and engagement. Focusing on the Facebook pages reporting on scientific and conspiracy content, we characterize the evolution of the size of the two communities by fitting daily resolution data with three growth models - i.e. the Gompertz model, the Logistic model, and the Log-logistic model. Although all the models appropriately describe the data structure, the Logistic one shows the best fit. Then, we explore the interplay between emotional state and engagement of users in the group dynamics. Our findings show that communities’ emotional behavior is affected by the users’ involvement inside the echo chamber. Indeed, to an higher involvement corresponds a more negative approach. Moreover, we observe that, on average, more active users show a faster shift towards the negativity than less active ones.

  2. LV function monitoring to discard functional abnormalities in athletes with altered ventricular re-polarization

    International Nuclear Information System (INIS)

    Flotats, A.; Camacho, V.; Mena, E.; Tembl, A.; Estorch, M.; Carrio, I.; Serra-Grima, R.; Borras, X.; Cinca, J.

    2002-01-01

    Aim: Marked ventricular re-polarization abnormalities (MRA) in athletes may suggest the presence of associated heart disease. Assessment of LV function during exercise may contribute to rule out heart disease and help to decide continuation of physical training. The aim of the study was to assess whether athletes with MRA show a particular response of LV function to exhausting exercise. Material and Methods: Thirty-nine male athletes underwent monitoring of LV function with a miniaturised radionuclide detector (VEST, Capintec, Inc.) during bicycle exhausting exercise. There were 22 athletes with MRA in the ECG at rest (negative T waves equal or more than 2mm in up to 3 ECG leads) and 17 with normal ECG. All were symptom free. Age and physical fitness were comparable in both groups. Clinical examination, ECG, exercise test and echocardiography were performed in all athletes. Results: In all cases LV wall thickness was that expected for highly conditioned sportsmen. Both groups of athletes attained a similar energy expenditure. During exercise, athletes with MRA showed a tendency to normalise re-polarization. There were no differences in heart rate, LV end-systolic volume, LVEF, cardiac output , and peak ejection and filling rates at rest, 50%, 75%, 85% and 100% of peak HR, nor at 2, 5 and 10 min of recovery between both groups of athletes. At rest stroke volume was lower in athletes with MRA (60% vs. 64%, p=0.044). There were also no differences in LV end-diastolic volume (EDV), except at peak HR, when EDV increased in athletes with normal ECG while it decreased in athletes with MRA (p=0.047). Conclusions: The presence of marked ventricular re-polarization abnormalities in athletes does not substantially affect exercise performance nor LV function and should not preclude physical training. The VEST is a useful means to assess LV function during exhausting upright bicycle exercise

  3. Conservation of Planar Polarity Pathway Function Across the Animal Kingdom.

    Science.gov (United States)

    Hale, Rosalind; Strutt, David

    2015-01-01

    Planar polarity is a well-studied phenomenon resulting in the directional coordination of cells in the plane of a tissue. In invertebrates and vertebrates, planar polarity is established and maintained by the largely independent core and Fat/Dachsous/Four-jointed (Ft-Ds-Fj) pathways. Loss of function of these pathways can result in a wide range of developmental or cellular defects, including failure of gastrulation and problems with placement and function of cilia. This review discusses the conservation of these pathways across the animal kingdom. The lack of vital core pathway components in basal metazoans suggests that the core planar polarity pathway evolved shortly after, but not necessarily alongside, the emergence of multicellularity.

  4. What can we learn from polarized structure function data?

    CERN Document Server

    Ball, Richard D.; Altarelli, Guido; Forte, Stefano; Ball, Richard D.; Ridolfi, Giovanni; Altarelli, Guido; Forte, Stefano

    1997-04-20

    We summarise the perturbative QCD analysis of the structure function data for g_1 from longitudinally polarized deep inelastic scattering from proton, deuteron and neutron targets, with particular emphasis on testing sum rules, determining helicity fractions, and extracting the strong coupling from both scaling violations and the Bjorken sum rule.

  5. Determination of polarization fields in group III-nitride heterostructures by capacitance-voltage-measurements

    Energy Technology Data Exchange (ETDEWEB)

    Rychetsky, Monir, E-mail: monir.rychetsky@physik.tu-berlin.de; Avinc, Baran; Wernicke, Tim; Bellmann, Konrad; Sulmoni, Luca [Institute of Solid State Physics, Technische Universität Berlin, Berlin (Germany); Koslow, Ingrid; Rass, Jens; Kneissl, Michael [Institute of Solid State Physics, Technische Universität Berlin, Berlin (Germany); Ferdinand-Braun-Institut, Leibniz-Institut für Höchstfrequenztechnik, Berlin (Germany); Hoffmann, Veit; Weyers, Markus [Ferdinand-Braun-Institut, Leibniz-Institut für Höchstfrequenztechnik, Berlin (Germany); Wild, Johannes; Zweck, Josef [Fakultät für Physik, University of Regensburg, Regensburg (Germany); Witzigmann, Bernd [Computational Electronics and Photonics Group and CINSaT, University of Kassel, Kassel (Germany)

    2016-03-07

    The polarization fields in wurtzite group III-nitrides strongly influence the optical properties of InAlGaN-based light emitters, e.g., the electron and hole wave function overlap in quantum wells. In this paper, we propose a new approach to determine these fields by capacitance-voltage measurements (CVM). Sheet charges generated by a change of the microscopic polarization at heterointerfaces influence the charge distribution in PIN junctions and therefore the depletion width and the capacitance. We show that it is possible to determine the strength and direction of the internal fields by comparing the depletion widths of two PIN junctions, one influenced by internal polarization fields and one without as a reference. For comparison, we conducted coupled Poisson/carrier transport simulations on the CVM of the polarization-influenced sample. We also demonstrate the feasibility and limits of the method by determining the fields in GaN/InGaN and GaN/AlGaN double heterostructures on (0001) c-plane grown by metal organic vapor phase epitaxy and compare both evaluation methods. The method yields (−0.50 ± 0.07) MV/cm for In{sub 0.08}Ga{sub 0.92}N/GaN, (0.90 ± 0.13) MV/cm for Al{sub 0.18}Ga{sub 0.82}N/GaN, and (2.0 ± 0.3) MV/cm for Al{sub 0.31}Ga{sub 0.69}N/GaN heterostructures.

  6. A novel endogenous betaretrovirus group characterized from polar bears (Ursus maritimus) and giant pandas (Ailuropoda melanoleuca)

    OpenAIRE

    Mayer, Jens; Tsangaras, Kyriakos; Heeger, Felix; Ávila-Arcos, Maria; Stenglein, Mark D.; Chen, Wei; Sun, Wei; Mazzoni, Camila; Osterrieder, Nikolaus; Greenwood, Alex D.

    2013-01-01

    Transcriptome analysis of polar bears (Ursus maritimus) yielded sequences with highest similarity to the human endogenous retrovirus group HERV-K(HML-2). Further analysis of the polar bear draft genome identified an endogenous betaretrovirus group comprising 26 proviral copies and 231 solo LTRs. Molecular dating indicates the group originated before the divergence of bears from a common ancestor but is not present in all carnivores. Closely related sequences were identified in the giant panda...

  7. Dynamic polarization in paramagnetic solids and microscopic correlation functions

    International Nuclear Information System (INIS)

    Boucher, Jean-Paul

    1972-01-01

    The different effects of Dynamic Nuclear Polarization in paramagnetic solids are described by means of a single thermodynamic formalism. In the case of large exchange interactions, the Overhauser effect correlated with nuclear relaxation time measurements can provide a way of studying correlation functions between electronic spins. This method is used to study the low-frequency behaviour of the microscopic spectral density which should diverge as ω → 0, in the case of a linear exchange chain. (author) [fr

  8. Growth functions for some uniformly amenable groups

    Directory of Open Access Journals (Sweden)

    Dronka Janusz

    2017-04-01

    Full Text Available We present a simple constructive proof of the fact that every abelian discrete group is uniformly amenable. We improve the growth function obtained earlier and find the optimal growth function in a particular case. We also compute a growth function for some non-abelian uniformly amenable group.

  9. Free energy functionals for polarization fluctuations: Pekar factor revisited.

    Science.gov (United States)

    Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

    2017-02-14

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  10. Free energy functionals for polarization fluctuations: Pekar factor revisited

    International Nuclear Information System (INIS)

    Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

    2017-01-01

    The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. This separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom, within dielectric continuum models. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. We study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. But, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

  11. Substituent effects of the alkyl groups: Polarity vs. polarizability

    Czech Academy of Sciences Publication Activity Database

    Exner, Otto; Böhm, S.

    -, č. 17 (2007), s. 2870-2876 ISSN 1434-193X Institutional research plan: CEZ:AV0Z40550506 Keywords : density functional calculations * hyperconjugation * inductive effect * polarizability Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.914, year: 2007

  12. Introduction to the functional renormalization group

    International Nuclear Information System (INIS)

    Kopietz, Peter; Bartosch, Lorenz; Schuetz, Florian

    2010-01-01

    This book, based on a graduate course given by the authors, is a pedagogic and self-contained introduction to the renormalization group with special emphasis on the functional renormalization group. The functional renormalization group is a modern formulation of the Wilsonian renormalization group in terms of formally exact functional differential equations for generating functionals. In Part I the reader is introduced to the basic concepts of the renormalization group idea, requiring only basic knowledge of equilibrium statistical mechanics. More advanced methods, such as diagrammatic perturbation theory, are introduced step by step. Part II then gives a self-contained introduction to the functional renormalization group. After a careful definition of various types of generating functionals, the renormalization group flow equations for these functionals are derived. This procedure is shown to encompass the traditional method of the mode elimination steps of the Wilsonian renormalization group procedure. Then, approximate solutions of these flow equations using expansions in powers of irreducible vertices or in powers of derivatives are given. Finally, in Part III the exact hierarchy of functional renormalization group flow equations for the irreducible vertices is used to study various aspects of non-relativistic fermions, including the so-called BCS-BEC crossover, thereby making the link to contemporary research topics. (orig.)

  13. Single-molecule fluorescence polarization study of conformational change in archaeal group II chaperonin.

    Directory of Open Access Journals (Sweden)

    Ryo Iizuka

    Full Text Available Group II chaperonins found in archaea and in eukaryotic cytosol mediate protein folding without a GroES-like cofactor. The function of the cofactor is substituted by the helical protrusion at the tip of the apical domain, which forms a built-in lid on the central cavity. Although many studies on the change in lid conformation coupled to the binding and hydrolysis of nucleotides have been conducted, the molecular mechanism of lid closure remains poorly understood. Here, we performed a single-molecule polarization modulation to probe the rotation of the helical protrusion of a chaperonin from a hyperthermophilic archaeum, Thermococcus sp. strain KS-1. We detected approximately 35° rotation of the helical protrusion immediately after photorelease of ATP. The result suggests that the conformational change from the open lid to the closed lid state is responsible for the approximately 35° rotation of the helical protrusion.

  14. The acidic functional groups of humic acid

    Energy Technology Data Exchange (ETDEWEB)

    Shanxiang, Li; Shuhe, Sun; Zhai Zongxi, Wu Qihu

    1983-09-01

    The acidic functional groups content, pK value, DELTAH and DELTAS of humic acid (HA) and nitro-humic acid (NHA) were determined by potentiometry, conductometry and calorimetric titration. The thermodynamic parameters of carboxylic groups and phenolic hydroxyl groups of humic acid are similar to that of simple hydroxy-benzoic acid. The configuration sites of acidic functional groups in humic acid from different coals are different. The carbonyl groups on aromatic rings are probably ortho to phenolic -OH for HA and NHA extracted from Huangxian's brown coal and Japanese lignite, while those from Lingshi's weathered coal are not. The weak -COOH groups of the latter possess higher chemical activity. The -COOH content in HA increases, phenolic -OH group decreases and the chemical acidity of acidic functional groups increases when HA is oxidized by nitric acid. (14 refs.)

  15. Functional Group Imaging by Adhesion AFM

    NARCIS (Netherlands)

    Berger, C.E.H.; Berger, C.E.H.; van der Werf, Kees; Kooyman, R.P.H.; de Grooth, B.G.; Greve, Jan

    1995-01-01

    Recently developed adhesion atomic force microscopy was used as a technique to map the spatial arrangement of chemical functional groups at a surface with a lateral resolution of 20 nm. The ratio of the adhesion forces for different functional groups can be compared with values determined from the

  16. Relating Functional Groups to the Periodic Table

    Science.gov (United States)

    Struyf, Jef

    2009-01-01

    An introduction to organic chemistry functional groups and their ionic variants is presented. Functional groups are ordered by the position of their specific (hetero) atom in the periodic table. Lewis structures are compared with their corresponding condensed formulas. (Contains 5 tables.)

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

    International Nuclear Information System (INIS)

    Soffer, J.

    1999-01-01

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

  18. Invariance group of the Finster metric function

    International Nuclear Information System (INIS)

    Asanov, G.S.

    1985-01-01

    An invariance group of the Finsler metric function is introduced and studied that directly generalized the respective concept (a group of Euclidean rolations) of the Rieman geometry. A sequential description of the isotopic invariance of physical fields on the base of the Finsler geometry is possible in terms of this group

  19. The catalystic function of leadership in efficient group functioning ...

    African Journals Online (AJOL)

    The more efficient group leaders were found to be more competent and revealed a greater task orientation. Compared to the less efficient groups, the better functioning groups were characterised by a higher degree of shared leadership. The bigger involvement in leadership functions seems to increase the competence ...

  20. A novel endogenous betaretrovirus group characterized from polar bears (Ursus maritimus) and giant pandas (Ailuropoda melanoleuca)

    DEFF Research Database (Denmark)

    Mayer, Jens; Tsangaras, Kyriakos; Heeger, Felix

    2013-01-01

    . Molecular dating indicates the group originated before the divergence of bears from a common ancestor but is not present in all carnivores. Closely related sequences were identified in the giant panda (Ailuropoda melanoleuca) and characterized from its genome. We have designated the polar bear and giant...... panda sequences U. maritimus endogenous retrovirus (UmaERV) and A. melanoleuca endogenous retrovirus (AmeERV), respectively. Phylogenetic analysis demonstrated that the bear virus group is nested within the HERV-K supergroup among bovine and bat endogenous retroviruses suggesting a complex evolutionary......Transcriptome analysis of polar bears (Ursus maritimus) yielded sequences with highest similarity to the human endogenous retrovirus group HERV-K(HML-2). Further analysis of the polar bear draft genome identified an endogenous betaretrovirus group comprising 26 proviral copies and 231 solo LTRs...

  1. Organic Functional Group Playing Card Deck

    Science.gov (United States)

    Welsh, Michael J.

    2003-04-01

    The recognition and identification of organic functional groups, while essential for chemistry and biology majors, is also very useful for non-science majors in the study of molecules in art and life. In order to make this task more palatable for the non-science major (art and communications students), the images of a traditional playing deck of cards (heart, spade, diamond, and club) have been replaced with four representations of common organic functional groups. The hierarchy rules for naming two groups in a molecule is loosely incorporated to represent the sequence (King, Queen, Jack, ?, Ace) of the deck. Students practice recognizing and identifying organic groups by playing simple card games of "Old Maid" and "Go Fish". To play games like "Poker" or "Gin", a student must not only recognize the functional groups, but also master a naming hierarchy for the organic groups.

  2. World polarization in carbon emissions, potential conflict and groups: An updated revision

    International Nuclear Information System (INIS)

    Antonio Duro, Juan; Teixidó-Figueras, Jordi

    2014-01-01

    Typically, conflicts in world environmental negotiations are related, amongst other aspects, to the level of polarization of the countries in groups with conflicting interests. Given the predictable relationship between polarization and conflict, it would seem logical to evaluate the degree to which the distribution of countries – for example, in terms of their CO 2 emissions per capita – would be structured through groups which in themselves are antagonistic, as well as their evolution over time. This paper takes the concept of polarization to explore this distribution for the period 1992–2010, looking at different analytic approaches related to the concept. Specifically, it makes a comparative evaluation of the results associated with endogenous multi-polarization measures (i.e. EGR and DER indices), exogenous measures (i.e. Z–K or multidimensional index) and strict bipolarization measures (i.e. Wolfson’s measure). Indeed, the interest lies not only in evaluating the global situation of polarization by comparing the different approaches and their temporal patterns, but also in examining the explanatory capacity of the different proxy groups used as a possible reference for designing global environmental policy from a group premise. - Highlights: • The world seems to have (multi) polarized typically less in terms of carbon emissions since 1992. • The advance of the within-groups cohesion and the equalization in their size allows some caution. • The division of countries into two endogenous groups appears as relevant. • It would be interesting the simplification through three exogenous income-groups of countries. • It would seem useful to design global negotiating mechanisms based on these types of groups

  3. Silsesquioxane nanoparticles with reactive internal functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Brozek, Eric M . [University of Utah, Department of Chemistry (United States); Washton, Nancy M.; Mueller, Karl T. [Environmental Molecular Sciences Laboratory (United States); Zharov, Ilya, E-mail: i.zharov@utah.edu [University of Utah, Department of Chemistry (United States)

    2017-02-15

    A series of silsesquioxane nanoparticles containing reactive internal organic functionalities throughout the entire particle body have been synthesized using a surfactant-free method with organosilanes as the sole precursors and a base catalyst. The organic functional groups incorporated are vinyl, allyl, mercapto, cyanoethyl, and cyanopropyl groups. The sizes and morphologies of the particles were characterized using SEM and nitrogen adsorption, while the compositions were confirmed using TGA, FT-IR, solid state NMR, and elemental analysis. The accessibility and reactivity of the functional groups inside the particles were demonstrated by performing bromination and reduction reactions in the interior of the particles.

  4. Exciton distribution function and secondary radiation in polar semiconductors

    International Nuclear Information System (INIS)

    Trallero Giner, C.; Sotolongo Costa, O.

    1985-07-01

    An explicit non-equilibrium distribution function for excitons in the ground state n=1 in the case when the fundamental interaction is with acoustical phonons is calculated for polar semiconductors. Using it, a general expression for the secondary radiation cross-section (valid for Raman, hot and thermalized luminescence processes), is obtained. The results are applied to explain the temperature dependence of the 1LO and 2LO luminescence lines half-width in CdS single crystals. The relative contributions of 3LO Raman and luminescence intensities and the variation of the secondary emission spectrum as function of exciton life-time are studied. Comparison with experimental results yields quantitative agreement. (author)

  5. Functionalized carbon nanotubes containing isocyanate groups

    International Nuclear Information System (INIS)

    Zhao Chungui; Ji Lijun; Liu Huiju; Hu Guangjun; Zhang Shimin; Yang Mingshu; Yang Zhenzhong

    2004-01-01

    Functionalized carbon nanotubes containing isocyanate groups can extend the nanotube chemistry, and may promote their many potential applications such as in polymer composites and coatings. This paper describes a facile method to prepare functionalized carbon nanotubes containing highly reactive isocyanate groups on its surface via the reaction between toluene 2,4-diisocyanate and carboxylated carbon nanotubes. Fourier-transformed infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) confirmed that reactive isocyanate groups were covalently attached to carbon nanotubes. The content of isocyanate groups were determined by chemical titration and thermogravimetric analysis (TGA)

  6. Modeling and Simulation of Polarization in Internet Group Opinions Based on Cellular Automata

    Directory of Open Access Journals (Sweden)

    Yaofeng Zhang

    2015-01-01

    Full Text Available Hot events on Internet always attract many people who usually form one or several opinion camps through discussion. For the problem of polarization in Internet group opinions, we propose a new model based on Cellular Automata by considering neighbors, opinion leaders, and external influences. Simulation results show the following: (1 It is easy to form the polarization for both continuous opinions and discrete opinions when we only consider neighbors influence, and continuous opinions are more effective in speeding the polarization of group. (2 Coevolution mechanism takes more time to make the system stable, and the global coupling mechanism leads the system to consensus. (3 Opinion leaders play an important role in the development of consensus in Internet group opinions. However, both taking the opinion leaders as zealots and taking some randomly selected individuals as zealots are not conductive to the consensus. (4 Double opinion leaders with consistent opinions will accelerate the formation of group consensus, but the opposite opinions will lead to group polarization. (5 Only small external influences can change the evolutionary direction of Internet group opinions.

  7. Computing the effective action with the functional renormalization group

    Energy Technology Data Exchange (ETDEWEB)

    Codello, Alessandro [CP3-Origins and the Danish IAS University of Southern Denmark, Odense (Denmark); Percacci, Roberto [SISSA, Trieste (Italy); INFN, Sezione di Trieste, Trieste (Italy); Rachwal, Leslaw [Fudan University, Department of Physics, Center for Field Theory and Particle Physics, Shanghai (China); Tonero, Alberto [ICTP-SAIFR and IFT, Sao Paulo (Brazil)

    2016-04-15

    The ''exact'' or ''functional'' renormalization group equation describes the renormalization group flow of the effective average action Γ{sub k}. The ordinary effective action Γ{sub 0} can be obtained by integrating the flow equation from an ultraviolet scale k = Λ down to k = 0. We give several examples of such calculations at one-loop, both in renormalizable and in effective field theories. We reproduce the four-point scattering amplitude in the case of a real scalar field theory with quartic potential and in the case of the pion chiral Lagrangian. In the case of gauge theories, we reproduce the vacuum polarization of QED and of Yang-Mills theory. We also compute the two-point functions for scalars and gravitons in the effective field theory of scalar fields minimally coupled to gravity. (orig.)

  8. Measurement of the Polarized Structure Function $g_1^p$ at HERA

    CERN Document Server

    Ball, R.D.; Forte, S.; Hughes, V.W.; Lichtenstadt, J.; Ridolfi, G.; Ball, Richard D.; Deshpande, Abhay; Forte, Stefano; Hughes, Vernon W.; Lichtenstadt, Jechiel; Ridolfi, Giovanni

    1996-01-01

    We present estimates of possible data on spin-dependent asymmetries in inclusive scattering of high energy polarized electrons by high energy polarized protons at HERA, including statistical errors, and discuss systematic uncertainties. We show that these data would shed light on the small x behaviour of the polarized structure function g_1, and would reduce substantially the uncertainty on the determination of the polarized gluon distribution.

  9. Modified polarized geometrical attenuation model for bidirectional reflection distribution function based on random surface microfacet theory.

    Science.gov (United States)

    Liu, Hong; Zhu, Jingping; Wang, Kai

    2015-08-24

    The geometrical attenuation model given by Blinn was widely used in the geometrical optics bidirectional reflectance distribution function (BRDF) models. Blinn's geometrical attenuation model based on symmetrical V-groove assumption and ray scalar theory causes obvious inaccuracies in BRDF curves and negatives the effects of polarization. Aiming at these questions, a modified polarized geometrical attenuation model based on random surface microfacet theory is presented by combining of masking and shadowing effects and polarized effect. The p-polarized, s-polarized and unpolarized geometrical attenuation functions are given in their separate expressions and are validated with experimental data of two samples. It shows that the modified polarized geometrical attenuation function reaches better physical rationality, improves the precision of BRDF model, and widens the applications for different polarization.

  10. A novel endogenous betaretrovirus group characterized from polar bears (Ursus maritimus) and giant pandas (Ailuropoda melanoleuca).

    Science.gov (United States)

    Mayer, Jens; Tsangaras, Kyriakos; Heeger, Felix; Avila-Arcos, María; Stenglein, Mark D; Chen, Wei; Sun, Wei; Mazzoni, Camila J; Osterrieder, Nikolaus; Greenwood, Alex D

    2013-08-15

    Transcriptome analysis of polar bears (Ursus maritimus) yielded sequences with highest similarity to the human endogenous retrovirus group HERV-K(HML-2). Further analysis of the polar bear draft genome identified an endogenous betaretrovirus group comprising 26 proviral copies and 231 solo LTRs. Molecular dating indicates the group originated before the divergence of bears from a common ancestor but is not present in all carnivores. Closely related sequences were identified in the giant panda (Ailuropoda melanoleuca) and characterized from its genome. We have designated the polar bear and giant panda sequences U. maritimus endogenous retrovirus (UmaERV) and A. melanoleuca endogenous retrovirus (AmeERV), respectively. Phylogenetic analysis demonstrated that the bear virus group is nested within the HERV-K supergroup among bovine and bat endogenous retroviruses suggesting a complex evolutionary history within the HERV-K group. All individual remnants of proviral sequences contain numerous frameshifts and stop codons and thus, the virus is likely non-infectious. Copyright © 2013 Elsevier Inc. All rights reserved.

  11. Hair Mercury Concentrations in Western Hudson Bay Polar Bear Family Groups.

    Science.gov (United States)

    Bechshoft, Thea; Derocher, Andrew E; Richardson, Evan; Lunn, Nicholas J; St Louis, Vincent L

    2016-05-17

    Methylmercury is one of the more toxic forms of mercury (Hg), the biomagnification of which is prevalent in the Arctic where apex predators such as polar bears (Ursus maritimus) can carry high loads. The maternal transfer of contaminants to offspring is a concern, as offspring may be particularly sensitive to the effects of environmental pollutants during early development. However, few studies of polar bears report on Hg in dependent young. We examined hair total Hg (THg) concentrations in 24 polar bear family groups in western Hudson Bay: mother, cub-of-the-year (COY), yearling, and 2 year old. THg concentrations increased with bear age, with COYs having lower concentrations than other offspring groups (p ≤ 0.008). Using AICc-based regression models, we found maternal THg to be positively related to body condition and litter size, while overall offspring THg was positively related to maternal body condition in addition to being dependent on the sex and age of the offspring. COY THg concentrations were positively related to maternal THg while also depending on the sex of the offspring. Considering our results, future studies in polar bear ecotoxicology are encouraged to include offspring of different ages and sexes.

  12. Introduction to the nonequilibrium functional renormalization group

    International Nuclear Information System (INIS)

    Berges, J.; Mesterházy, D.

    2012-01-01

    In these lectures we introduce the functional renormalization group out of equilibrium. While in thermal equilibrium typically a Euclidean formulation is adequate, nonequilibrium properties require real-time descriptions. For quantum systems specified by a given density matrix at initial time, a generating functional for real-time correlation functions can be written down using the Schwinger-Keldysh closed time path. This can be used to construct a nonequilibrium functional renormalization group along similar lines as for Euclidean field theories in thermal equilibrium. Important differences include the absence of a fluctuation-dissipation relation for general out-of-equilibrium situations. The nonequilibrium renormalization group takes on a particularly simple form at a fixed point, where the corresponding scale-invariant system becomes independent of the details of the initial density matrix. We discuss some basic examples, for which we derive a hierarchy of fixed point solutions with increasing complexity from vacuum and thermal equilibrium to nonequilibrium. The latter solutions are then associated to the phenomenon of turbulence in quantum field theory.

  13. The Influence of Perception Training on Communication Between Polarized Groups of Officers and Inmates at the Colorado Women's Correctional Institution.

    Science.gov (United States)

    Fox, Denamae Dawson

    Those who wish to bring about positive communication between two groups with strongly polarized attitudes cannot do so merely by bringing the groups together for interaction. A study of inmates and officers at a women's prison revealed the potential of perception training for changing initially polarized conceptions. Analyses of subjects'…

  14. Aspects of the functional renormalisation group

    International Nuclear Information System (INIS)

    Pawlowski, Jan M.

    2007-01-01

    We discuss structural aspects of the functional renormalisation group. Flows for a general class of correlation functions are derived, and it is shown how symmetry relations of the underlying theory are lifted to the regularised theory. A simple equation for the flow of these relations is provided. The setting includes general flows in the presence of composite operators and their relation to standard flows, an important example being NPI quantities. We discuss optimisation and derive a functional optimisation criterion. Applications deal with the interrelation between functional flows and the quantum equations of motion, general Dyson-Schwinger equations. We discuss the combined use of these functional equations as well as outlining the construction of practical renormalisation schemes, also valid in the presence of composite operators. Furthermore, the formalism is used to derive various representations of modified symmetry relations in gauge theories, as well as to discuss gauge-invariant flows. We close with the construction and analysis of truncation schemes in view of practical optimisation

  15. Synthesis, radiometric determination of functional groups, complexation

    International Nuclear Information System (INIS)

    Pompe, S.; Bubner, M.; Schmeide, K.; Heise, K.H.; Bernhard, G.; Nitsche, H.

    2000-01-01

    The interaction behavior of humic acids with uranium(VI) and the influence of humic substances on the migration behavior of uranium was investigated. A main focus of this work was the synthesis of four different humic acid model substances and their characterization and comparison to the natural humic acid from Aldrich. A radiometric method for the determination of humic acid functional groups was applied in addition to conventional methods for the determination of the functionality of humic acids. The humic acid model substances show functional and structural properties comparable to natural humic acids. Modified humic acids with blocked phenolic OH were synthesized to determine the influence of phenolic OH groups on the complexation behavior of humic acids. A synthesis method for 14 C-labeled humic acids with high specific activity was developed. The complexation behavior of synthetic and natural humic acids with uranium(VI) was investigated by X-ray absorption spectroscopy, laser-induced fluorescence spectroscopy and FTIR spectroscopy. The synthetic model substances show an interaction behavior with uranium(VI) that is comparable to natural humic acids. This points to the fact that the synthetic humic acids simulate the functionality of their natural analogues very well. For the first time the influence of phenolic OH groups on the complexation behavior of humic acids was investigated by applying a modified humic acid with blocked phenolic OH groups. The formation of a uranyl hydroxy humate complex was identified by laserspectroscopic investigations of the complexation of Aldrich humic acid with uranium(VI) at pH 7. The migration behavior of uranium in a sandy aquifer system rich is humic substances was investigated in column experiments. A part of uranium migrates non-retarded through the sediment, bound to humic colloids. The uranium migration behavior is strongly influenced by the kinetically controlled interaction processes of uranium with the humic colloids

  16. Spin structure function measurements with polarized protons and electrons at HERA

    International Nuclear Information System (INIS)

    Ball, R.D.; Deshpande, A.; Forte, S.; Hughes, V.W.; Lichtenstadt, J.; Ridolfi, G.

    1995-01-01

    Useful insights into the spin structure functions of the nucleon can be achieved by measurements of spin-dependent asymmetries in inclusive scattering of high energy polarized electrons by high energy polarized protons at HERA. Such an experiment would be a natural extension of the polarized lepton-nucleon scattering experiments presently carried out at CERN and SLAC. We present here estimates of possible data in the extended kinematic range of HERA and associated statistical errors. (orig.)

  17. Functional Group Analysis of Biomass Burning Particles Using Infrared Spectroscopy

    Science.gov (United States)

    Horrell, K.; Lau, A.; Bond, T.; Iraci, L. T.

    2008-12-01

    Biomass burning is a significant source of particulate organic carbon in the atmosphere. These particles affect the energy balance of the atmosphere directly by absorbing and scattering solar radiation, and indirectly through their ability to act as cloud condensation nuclei (CCN). The chemical composition of biomass burning particles influences their ability to act as CCN, thus understanding the chemistry of these particles is required for understanding their effects on climate and air quality. As climate change influences the frequency and severity of boreal forest fires, the influence of biomass burning aerosols on the atmosphere may become significantly greater. Only a small portion of the organic carbon (OC) fraction of these particles has been identified at the molecular level, although several studies have explored the general chemical classes found in biomass burning smoke. To complement those studies and provide additional information about the reactive functional groups present, we are developing a method for polarity-based separation of compound classes found in the OC fraction, followed by infrared (IR) spectroscopic analysis of each polarity fraction. It is our goal to find a simple, relatively low-tech method which will provide a moderate chemical understanding of the entire suite of compounds present in the OC fraction of biomass burning particles. Here we present preliminary results from pine and oak samples representative of Midwestern United States forests burned at several different temperatures. Wood type and combustion temperature are both seen to affect the composition of the particles. The latter seems to affect relative contributions of certain functional groups, while oak demonstrates at least one additional chemical class of compounds, particularly at lower burning temperatures, where gradual solid-gas phase reactions can produce relatively large amounts of incompletely oxidized products.

  18. Ultracold atoms and the Functional Renormalization Group

    International Nuclear Information System (INIS)

    Boettcher, Igor; Pawlowski, Jan M.; Diehl, Sebastian

    2012-01-01

    We give a self-contained introduction to the physics of ultracold atoms using functional integral techniques. Based on a consideration of the relevant length scales, we derive the universal effective low energy Hamiltonian describing ultracold alkali atoms. We then introduce the concept of the effective action, which generalizes the classical action principle to full quantum status and provides an intuitive and versatile tool for practical calculations. This framework is applied to weakly interacting degenerate bosons and fermions in the spatial continuum. In particular, we discuss the related BEC and BCS quantum condensation mechanisms. We then turn to the BCS-BEC crossover, which interpolates between both phenomena, and which is realized experimentally in the vicinity of a Feshbach resonance. For its description, we introduce the Functional Renormalization Group approach. After a general discussion of the method in the cold atoms context, we present a detailed and pedagogical application to the crossover problem. This not only provides the physical mechanism underlying this phenomenon. More generally, it also reveals how the renormalization group can be used as a tool to capture physics at all scales, from few-body scattering on microscopic scales, through the finite temperature phase diagram governed by many-body length scales, up to critical phenomena dictating long distance physics at the phase transition. The presentation aims to equip students at the beginning PhD level with knowledge on key physical phenomena and flexible tools for their description, and should enable to embark upon practical calculations in this field.

  19. Nanospikes functionalization as a universal strategy to disperse hydrophilic particles in non-polar media

    Science.gov (United States)

    Hang, Tian; Chen, Hui-Jiuan; Wang, Ji; Lin, Di-an; Wu, Jiangming; Liu, Di; Cao, Yuhong; Yang, Chengduan; Liu, Chenglin; Xiao, Shuai; Gu, Meilin; Pan, Shuolin; Wu, Mei X.; Xie, Xi

    2018-05-01

    Dispersion of hydrophilic particles in non-polar media has many important applications yet remains difficult. Surfactant or amphiphilic functionalization was conventionally applied to disperse particles but is highly dependent on the particle/solvent system and may induce unfavorable effects and impact particle hydrophilic nature. Recently 2 μm size polystyrene microbeads coated with ZnO nanospikes have been reported to display anomalous dispersity in phobic media without using surfactant or amphiphilic functionalization. However, due to the lack of understanding whether this phenomenon was applicable to a wider range of conditions, little application has been derived from it. Here the anomalous dispersity phenomenons of hydrophilic microparticles covered with nanospikes were systematically assessed at various conditions including different particle sizes, material compositions, particle morphologies, solvent hydrophobicities, and surface polar groups. Microparticles were functionalized with nanospikes through hydrothermal route, followed by dispersity test in hydrophobic media. The results suggest nanospikes consistently prevent particle aggregation in various particle or solvent conditions, indicating the universal applicability of the anomalous dispersion phenomenons. This work provides insight on the anomalous dispersity of hydrophilic particles in various systems and offers potential application to use this method for surfactant-free dispersions.

  20. Spectral functions and transport coefficients from the functional renormalization group

    Energy Technology Data Exchange (ETDEWEB)

    Tripolt, Ralf-Arno

    2015-06-03

    In this thesis we present a new method to obtain real-time quantities like spectral functions and transport coefficients at finite temperature and density using the Functional Renormalization Group approach. Our non-perturbative method is thermodynamically consistent, symmetry preserving and based on an analytic continuation from imaginary to real time on the level of the flow equations. We demonstrate the applicability of this method by calculating mesonic spectral functions as well as the shear viscosity for the quark-meson model. In particular, results are presented for the pion and sigma spectral function at finite temperature and chemical potential, with a focus on the regime near the critical endpoint in the phase diagram of the quark-meson model. Moreover, the different time-like and space-like processes, which give rise to a complex structure of the spectral functions, are discussed. Finally, based on the momentum dependence of the spectral functions, we calculate the shear viscosity and the shear viscosity to entropy density ratio using the corresponding Green-Kubo formula.

  1. The Community Earth System Model-Polar Climate Working Group and the status of CESM2.

    Science.gov (United States)

    Bailey, D. A.; Holland, M. M.; DuVivier, A. K.

    2017-12-01

    The Polar Climate Working Group (PCWG) is a consortium of scientists who are interested in modeling and understanding the climate in the Arctic and the Antarctic, and how polar climate processes interact with and influence climate at lower latitudes. Our members come from universities and laboratories, and our interests span all elements of polar climate, from the ocean depths to the top of the atmosphere. In addition to conducting scientific modeling experiments, we are charged with contributing to the development and maintenance of the state-of-the-art sea ice model component (CICE) used in the Community Earth System Model (CESM). A recent priority for the PCWG has been to come up with innovative ways to bring the observational and modeling communities together. This will allow for more robust validation of climate model simulations, the development and implementation of more physically-based model parameterizations, improved data assimilation capabilities, and the better use of models to design and implement field experiments. These have been informed by topical workshops and scientific visitors that we have hosted in these areas. These activities will be discussed and information on how the better integration of observations and models has influenced the new version of the CESM, which is due to be released in late 2017, will be provided. Additionally, we will address how enhanced interactions with the observational community will contribute to model developments and validation moving forward.

  2. Optical polarization based logic functions (XOR or XNOR) with nonlinear Gallium nitride nanoslab.

    Science.gov (United States)

    Bovino, F A; Larciprete, M C; Giardina, M; Belardini, A; Centini, M; Sibilia, C; Bertolotti, M; Passaseo, A; Tasco, V

    2009-10-26

    We present a scheme of XOR/XNOR logic gate, based on non phase-matched noncollinear second harmonic generation from a medium of suitable crystalline symmetry, Gallium nitride. The polarization of the noncollinear generated beam is a function of the polarization of both pump beams, thus we experimentally investigated all possible polarization combinations, evidencing that only some of them are allowed and that the nonlinear interaction of optical signals behaves as a polarization based XOR. The experimental results show the peculiarity of the nonlinear optical response associated with noncollinear excitation, and are explained using the expression for the effective second order optical nonlinearity in noncollinear scheme.

  3. Nuclear reactivity indices in the context of spin polarized density functional theory

    International Nuclear Information System (INIS)

    Cardenas, Carlos; Lamsabhi, Al Mokhtar; Fuentealba, Patricio

    2006-01-01

    In this work, the nuclear reactivity indices of density functional theory have been generalized to the spin polarized case and their relationship to electron spin polarized indices has been established. In particular, the spin polarized version of the nuclear Fukui function has been proposed and a finite difference approximation has been used to evaluate it. Applications to a series of triatomic molecules demonstrate the ability of the new functions to predict the geometrical changes due to a change in the spin multiplicity. The main equations in the different ensembles have also been presented

  4. Generalized nuclear Fukui functions in the framework of spin-polarized density-functional theory

    International Nuclear Information System (INIS)

    Chamorro, E.; Proft, F. de; Geerlings, P.

    2005-01-01

    An extension of Cohen's nuclear Fukui function is presented in the spin-polarized framework of density-functional theory (SP-DFT). The resulting new nuclear Fukui function indices Φ Nα and Φ Sα are intended to be the natural descriptors for the responses of the nuclei to changes involving charge transfer at constant multiplicity and also the spin polarization at constant number of electrons. These generalized quantities allow us to gain new insights within a perturbative scheme based on DFT. Calculations of the electronic and nuclear SP-DFT quantities are presented within a Kohn-Sham framework of chemical reactivity for a sample of molecules, including H 2 O, H 2 CO, and some simple nitrenes (NX) and phosphinidenes (PX), with X=H, Li, F, Cl, OH, SH, NH 2 , and PH 2 . Results have been interpreted in terms of chemical bonding in the context of Berlin's theorem, which provides a separation of the molecular space into binding and antibinding regions

  5. What can stimulus polarity and interphase gap tell us about auditory nerve function in cochlear-implant recipients?

    Science.gov (United States)

    Hughes, Michelle L; Choi, Sangsook; Glickman, Erin

    2018-03-01

    Modeling studies suggest that differences in neural responses between polarities might reflect underlying neural health. Specifically, large differences in electrically evoked compound action potential (eCAP) amplitudes and amplitude-growth-function (AGF) slopes between polarities might reflect poorer peripheral neural health, whereas more similar eCAP responses between polarities might reflect better neural health. The interphase gap (IPG) has also been shown to relate to neural survival in animal studies. Specifically, healthy neurons exhibit larger eCAP amplitudes, lower thresholds, and steeper AGF slopes for increasing IPGs. In ears with poorer neural survival, these changes in neural responses are generally less apparent with increasing IPG. The primary goal of this study was to examine the combined effects of stimulus polarity and IPG within and across subjects to determine whether both measures represent similar underlying mechanisms related to neural health. With the exception of one measure in one group of subjects, results showed that polarity and IPG effects were generally not correlated in a systematic or predictable way. This suggests that these two effects might represent somewhat different aspects of neural health, such as differences in site of excitation versus integrative membrane characteristics, for example. Overall, the results from this study suggest that the underlying mechanisms that contribute to polarity and IPG effects in human CI recipients might be difficult to determine from animal models that do not exhibit the same anatomy, variance in etiology, electrode placement, and duration of deafness as humans. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.

    Science.gov (United States)

    Dresselhaus, Thomas; Neugebauer, Johannes; Knecht, Stefan; Keller, Sebastian; Ma, Yingjin; Reiher, Markus

    2015-01-28

    We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.

  7. A polarization stabilizer up to 12.6 krad/s with an additional function of stable state of polarization transformation

    International Nuclear Information System (INIS)

    Xiao-Guang, Zhang; Guang-Qing, Fang; Xin-Yuan, Zhao; Wen-Bo, Zhang; Li-Xia, Xi; Qian-Jin, Xiong; Xi-Xiang, Li; Guang-Yong, Zhang

    2010-01-01

    This paper reports on an experiment about a novel method of polarization stabilization. The polarization stabilizer proposed here has an additional function of polarization transformation from any state of polarization into any others. The particle swarm optimization is introduced as a control algorithm in the process of either searching or endless tracking. The tracking speed of the stabilizer is obtained up to 12.6 krad/s by using hardware we have in the laboratory, which means that we can achieve a higher speed practical polarization stabilizer if we have faster hardware. (classical areas of phenomenology)

  8. Production Function of Outgassed Volatiles on Mercury: Implications for Polar Volatiles on Mercury and the Moon

    Science.gov (United States)

    Deutsch, A. N.; Head, J. W.

    2018-05-01

    We are interested in the flux of volatiles delivered to the polar regions of Mercury and the Moon through time. We integrate the production functions for volatile delivery from impacts, solar wind, and volcanism, which we focus on initially.

  9. Cdc42 regulates epithelial cell polarity and cytoskeletal function during kidney tubule development

    DEFF Research Database (Denmark)

    Elias, Bertha C; Das, Amrita; Parekh, Diptiben V

    2015-01-01

    The Rho GTPase Cdc42 regulates key signaling pathways required for multiple cell functions, including maintenance of shape, polarity, proliferation, migration, differentiation and morphogenesis. Although previous studies have shown that Cdc42 is required for proper epithelial development and main......The Rho GTPase Cdc42 regulates key signaling pathways required for multiple cell functions, including maintenance of shape, polarity, proliferation, migration, differentiation and morphogenesis. Although previous studies have shown that Cdc42 is required for proper epithelial development...

  10. Functional fixedness and functional reduction as common sense reasonings in chemical equilibrium and in geometry and polarity of molecules

    Science.gov (United States)

    Furió, C.; Calatayud, M. L.; Bárcenas, S. L.; Padilla, O. M.

    2000-09-01

    Many of the learning difficulties in the specific domain of chemistry are found not only in the ideas already possessed by students but in the strategic and procedural knowledge that is characteristic of everyday thinking. These defects in procedural knowledge have been described as functional fixedness and functional reduction. This article assesses the procedural difficulties of students (grade 12 and first and third year of university) based on common sense reasoning in two areas of chemistry: chemical equilibrium and geometry and polarity of molecules. In the first area, the theme of external factors affecting equilibria (temperature and concentration change) was selected because the explanations given by the students could be analyzed easily. The existence of a functional fixedness where Le Chatelier's principle was almost exclusively applied by rote could be observed, with this being the cause of the incorrect responses given to the proposed items. Functional fixedness of the Lewis structure also led to an incorrect prediction of molecular geometry. When molecular geometry was correctly determined by the students, it seemed that other methodological or procedural difficulties appeared when the task was to determine molecular polarity. The students showed a tendency, in many cases, to reduce the factors affecting molecular polarity in two possible ways: (a) assuming that polarity depends only on shape (geometric functional reduction) or (b) assuming that molecular polarity depends only on the polarity of bonds (bonding functional reduction).

  11. The spin polarized linear response from density functional theory: Theory and application to atoms

    Energy Technology Data Exchange (ETDEWEB)

    Fias, Stijn, E-mail: sfias@vub.ac.be; Boisdenghien, Zino; De Proft, Frank; Geerlings, Paul [General Chemistry (ALGC), Vrije Universiteit Brussel (Free University Brussels – VUB), Pleinlaan 2, 1050 Brussels (Belgium)

    2014-11-14

    Within the context of spin polarized conceptual density functional theory, the spin polarized linear response functions are introduced both in the [N, N{sub s}] and [N{sub α}, N{sub β}] representations. The mathematical relations between the spin polarized linear response functions in both representations are examined and an analytical expression for the spin polarized linear response functions in the [N{sub α}, N{sub β}] representation is derived. The spin polarized linear response functions were calculated for all atoms up to and including argon. To simplify the plotting of our results, we integrated χ(r, r′) to a quantity χ(r, r{sup ′}), circumventing the θ and ϕ dependence. This allows us to plot and to investigate the periodicity throughout the first three rows in the periodic table within the two different representations. For the first time, χ{sub αβ}(r, r{sup ′}), χ{sub βα}(r, r{sup ′}), and χ{sub SS}(r, r{sup ′}) plots have been calculated and discussed. By integration of the spin polarized linear response functions, different components to the polarisability, α{sub αα}, α{sub αβ}, α{sub βα}, and α{sub ββ} have been calculated.

  12. Functional renormalization group methods in quantum chromodynamics

    International Nuclear Information System (INIS)

    Braun, J.

    2006-01-01

    We apply functional Renormalization Group methods to Quantum Chromodynamics (QCD). First we calculate the mass shift for the pion in a finite volume in the framework of the quark-meson model. In particular, we investigate the importance of quark effects. As in lattice gauge theory, we find that the choice of quark boundary conditions has a noticeable effect on the pion mass shift in small volumes. A comparison of our results to chiral perturbation theory and lattice QCD suggests that lattice QCD has not yet reached volume sizes for which chiral perturbation theory can be applied to extrapolate lattice results for low-energy observables. Phase transitions in QCD at finite temperature and density are currently very actively researched. We study the chiral phase transition at finite temperature with two approaches. First, we compute the phase transition temperature in infinite and in finite volume with the quark-meson model. Though qualitatively correct, our results suggest that the model does not describe the dynamics of QCD near the finite-temperature phase boundary accurately. Second, we study the approach to chiral symmetry breaking in terms of quarks and gluons. We compute the running QCD coupling for all temperatures and scales. We use this result to determine quantitatively the phase boundary in the plane of temperature and number of quark flavors and find good agreement with lattice results. (orig.)

  13. Functional renormalization group methods in quantum chromodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Braun, J.

    2006-12-18

    We apply functional Renormalization Group methods to Quantum Chromodynamics (QCD). First we calculate the mass shift for the pion in a finite volume in the framework of the quark-meson model. In particular, we investigate the importance of quark effects. As in lattice gauge theory, we find that the choice of quark boundary conditions has a noticeable effect on the pion mass shift in small volumes. A comparison of our results to chiral perturbation theory and lattice QCD suggests that lattice QCD has not yet reached volume sizes for which chiral perturbation theory can be applied to extrapolate lattice results for low-energy observables. Phase transitions in QCD at finite temperature and density are currently very actively researched. We study the chiral phase transition at finite temperature with two approaches. First, we compute the phase transition temperature in infinite and in finite volume with the quark-meson model. Though qualitatively correct, our results suggest that the model does not describe the dynamics of QCD near the finite-temperature phase boundary accurately. Second, we study the approach to chiral symmetry breaking in terms of quarks and gluons. We compute the running QCD coupling for all temperatures and scales. We use this result to determine quantitatively the phase boundary in the plane of temperature and number of quark flavors and find good agreement with lattice results. (orig.)

  14. LABORATORY FREQUENCY REDISTRIBUTION FUNCTION FOR THE POLARIZED Λ-TYPE THREE-TERM ATOM

    Energy Technology Data Exchange (ETDEWEB)

    Casini, R. [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307-3000 (United States); Manso Sainz, R. [Max Planck Institute for Solar System Research, Justus-von-Liebig-Weg 3, D-37077 Göttingen (Germany)

    2016-12-20

    We present the frequency redistribution function for a polarized three-term atom of the Λ-type in the collisionless regime, and we specialize it to the case where both the initial and final terms of the three-state transition are metastable (i.e., with infinitely sharp levels). This redistribution function represents a generalization of the well-known R {sub II} function to the case where the lower terms of the transition can be polarized and carry atomic coherence, and it can be applied to the investigation of polarized line formation in tenuous plasmas, where collisional rates may be low enough that anisotropy-induced atomic polarization survives even in the case of metastable levels.

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

    CERN Document Server

    Goldstein, G R

    2001-01-01

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

  16. An investigation of the functional groups on the surface of activated carbons

    Directory of Open Access Journals (Sweden)

    MARYTE DERVINYTE

    2004-05-01

    Full Text Available Activated carbons were produced in the laboratory from wood using a 20-run Plackett–Burman experimental design for 19 factors. The obtained batches of activated carbon were analysed by potentiometric titration and FTIR spectroscopy to determine the surface functional groups. The results obtained by potentiometric titration displayed the distribution of individual acidity constants of those groups in the pK range. Considering this parameter, the surface functional groups were divided into carboxyl, lactone and phenol. The linear regression equations reflecting the influence of each operation used for the synthesis on the amount of these functional groups in the obtained activated carbons were generated. The FTIR spectra were used in parallel for the evaluation of the amount and the type of the surface functional groups. Relationships between the two data sets obtained by potentiometric titration and FTIR spectroscopy were evaluated by correlation analysis. It was established that the amount of surface functional groups determined by potentiometric titration positively correlates with the intensity of the peaks of hydrophilic functional groups in the FTIR spectra. At the same time, the negative correlation between potentiometrically determined amount of surface functional groups and the intensity of peaks of hydrophobic functional groups was observed. Most probably, these non-polar formations can take part in the interaction of carbon surface with H+/OH- ions and diminish the strength of existent functional groups.

  17. Laser polarization dependent and magnetically control of group velocity in a dielectric medium doped with nanodiamond nitrogen vacancy centers

    Energy Technology Data Exchange (ETDEWEB)

    Asadpour, Seyyed Hossein; Rahimpour Soleimani, H., E-mail: Rahimpour@guilan.ac.ir

    2014-03-01

    In this paper, group velocity control of Gaussian beam in a dielectric medium doped with nanodiamond nitrogen vacancy (NV) centers under optical excitation is discussed. The shape of transmitted and reflected pulses from dielectric can be tuned by changing the intensity of magnetic field and polarization of the control beam. The effect of intensity of control beam on group velocity is also investigated.

  18. Multi detector input and function generator for polarized neutron experiments

    International Nuclear Information System (INIS)

    De Blois, J.; Beunes, A.J.H.; Ende, P. v.d.; Osterholt, E.A.; Rekveldt, M.T.; Schipper, M.N.; Velthuis, S.G.E. te

    1998-01-01

    In this paper a VME module is described for static or stroboscopic measurements with a neutron scattering instrument, consisting essentially of a series of up to 64 3 He neutron detectors around a sample environment. Each detector is provided with an amplifier and a discriminator to separate the neutrons from noise. To reduce the wiring, the discriminator outputs are connected to the module by coding boxes. Two 16-inputs to one-output coding boxes generate serial output codes on a fiber optic connection. This basically fast connection reduces the dead time introduced by the coding, and the influence of environmental noise. With stroboscopic measurements a periodic function is used to affect the sample surrounded by a field coil. Each detected neutron is labeled with a data label containing the detector number and the time of detection with respect to a time reference. The data time base can be programmed on a linear or a nonlinear scale. An external source or an attribute of the periodic function may generate the time reference pulse. A 12-bit DAC connected to the output of an 8 K, 16-bits memory, where the pattern of the current has been stored before, generates the function. The function memory is scanned by the programmable function time base. Attributes are set by the four remaining bits of the memory. One separate detector input connects a monitor detector in the neutron beam with a 32-bit counter/timer that provides measuring on a preset count, preset time or preset frame. (orig.)

  19. The use of Lorentz group formalism in solving polarization effects of a birefringent single mode optical fiber

    International Nuclear Information System (INIS)

    Ishiekwene, G.C.; Brown, C.S.; Mensah, S.Y.; Bak, A.E.

    2000-07-01

    A theoretical analysis on the polarization effects of a light beam propagating in a birefringent single-mode fiber is presented. We derive a system of differential equations representing the evolution of Stokes parameters and illustrate their application to polarization effects in a straight birefringent single mode optical fiber. The solutions to the set of equations are obtained using specifically the methods of the unified formalism for polarization optics which adopt the use of the Stokes-Mueller equation and the Lorentz group to model polarization phenomena in media such as optical fibers. The analytical results presented using this approach are identical to results obtained from other conventional methods. We observe the characteristic exponential decrease in the total intensity of the input light due to attenuation by the fiber. (author)

  20. Water absorption in PEEK and PEI matrices. Contribution to the understanding of water-polar group interactions

    Science.gov (United States)

    Courvoisier, E.; Bicaba, Y.; Colin, X.

    2016-05-01

    The water absorption in two aromatic linear polymers (PEEK and PEI) was studied between 10% and 90% RH at 30, 50 and 70°C. It was found that these polymers display classical Henry and Fick's behaviors. Moreover, they have very close values of equilibrium water concentration C∞ and water diffusivity D presumably because their respective polar groups establish molecular interactions of the same nature with water. This assumption was checked from a literature compilation of values of C∞ and D for a large variety of linear and tridimensional polymers containing a single type of polar group. It was then evidenced that almost all types of carbonyl group (in particular, those belonging to imides, amides and ketones) have the same molar contribution to water absorption, except those belonging to esters which are much less hydrophilic. Furthermore, hydroxyl and sulfone groups are much more hydrophilic than carbonyl groups so that their molar contribution is located on another master curve. On this basis, semi-empirical structure/water transport property relationships were proposed. It was found that C∞ increases exponentially with the concentration of polar groups (presumably because water is doubly bonded), but also with the intensity of their molecular interactions with water. In contrast, D is inversely proportional to C∞, which means that polar group-water interactions slow down the rate of water diffusion.

  1. Novel function of lecithin-cholesterol acyltransferase. Hydrolysis of oxidized polar phospholipids generated during lipoprotein oxidation.

    Science.gov (United States)

    Goyal, J; Wang, K; Liu, M; Subbaiah, P V

    1997-06-27

    Although the major function of lecithin-cholesterol acyltransferase (LCAT) is cholesterol esterification, our previous studies showed that it can also hydrolyze platelet-activating factor (PAF). Because of the structural similarities between PAF and the truncated phosphatidylcholines (polar PCs) generated during lipoprotein oxidation, we investigated the possibility that LCAT may also hydrolyze polar PCs to lyso-PC during the oxidation of plasma. PAF acetylhydrolase (PAF-AH), which is known to hydrolyze polar PCs in human plasma, was completely inhibited by 0.2 mM p-aminoethyl benzenesulfonyl fluoride (Pefabloc), a new serine esterase inhibitor, which had no effect on LCAT at this concentration. On the other hand, 1 mM diisopropylfluorophosphate (DFP) completely inhibited LCAT but had no effect on PAF-AH. Polar PC accumulation during the oxidation of plasma increased by 44% in the presence of 0.2 mM Pefabloc and by 30% in the presence of 1 mM DFP. The formation of lyso-PC was concomitantly inhibited by both of the inhibitors. The combination of the two inhibitors resulted in the maximum accumulation of polar PCs, suggesting that both PAF-AH and LCAT are involved in their breakdown. Oxidation of chicken plasma, which has no PAF-AH activity, also resulted in the formation of lyso-PC from the hydrolysis of polar PC, which was inhibited by DFP. Polar PCs, either isolated from oxidized plasma or by oxidation of labeled synthetic PCs, were hydrolyzed by purified LCAT, which had no detectable PAF-AH activity. These results demonstrate a novel function for LCAT in the detoxification of polar PCs generated during lipoprotein oxidation, especially when the PAF-AH is absent or inactivated.

  2. Polarized and unpolarized nucleon structure functions from lattice QCD

    International Nuclear Information System (INIS)

    Goeckeler, M.; Technische Hochschule Aachen; Horsley, R.; Humboldt-Universitaet, Berlin; Ilgenfritz, E.M.; Perlt, H.; Rakow, P.; Schierholz, G.; Forschungszentrum Juelich GmbH; Schiller, A.

    1995-06-01

    We report on a high statistics quenched lattice QCD calculation of the deep-inelastic structure functions F 1 , F 2 , g 1 and g 2 of the proton and neutron. The theoretical basis for the calculation is the operator product expansion. We consider the moments of the leading twist operators up to spin four. Using Wilson fermions the calculation is done for three values of K, and we perform the extrapolation to the chiral limit. The renormalization constants, which lead us from lattice to continuum operators, are calculated in perturbation theory to one loop order. (orig.)

  3. On the twist-2 contributions to polarized structure functions and new sum rules

    International Nuclear Information System (INIS)

    Bluemlein, J.; Kochelev, N.

    1996-03-01

    The twist-2 contributions to the polarized structure functions in deep inelastic lepton-hadron scattering are calculated including the exchange of weak bosons and using both the operator product expansion and the covariant parton model. A new relation between two structure functions leading to a sequence of new sum rules is found. The light quark mass corrections to the structure functions are derived in lowest order QCD. (orig.)

  4. Fermionic functional integrals and the renormalization group

    CERN Document Server

    Feldman, Joel; Trubowitz, Eugene

    2002-01-01

    This book, written by well-known experts in the field, offers a concise summary of one of the latest and most significant developments in the theoretical analysis of quantum field theory. The renormalization group is the name given to a technique for analyzing the qualitative behavior of a class of physical systems by iterating a map on the vector space of interactions for the class. In a typical nonrigorous application of this technique, one assumes, based on one's physical intuition, that only a certain finite dimensional subspace (usually of dimension three or less) is important. The material in this book concerns a technique for justifying this approximation in a broad class of fermionic models used in condensed matter and high energy physics. This volume is based on the Aisenstadt Lectures given by Joel Feldman at the Centre de Recherches Mathematiques (Montreal, Canada). It is suitable for graduate students and research mathematicians interested in mathematical physics. Included are many problems and so...

  5. Comprehension of the Electric Polarization as a Function of Low Temperature

    Science.gov (United States)

    Liu, Changshi

    2017-01-01

    Polarization response to warming plays an increasingly important role in a number of ferroelectric memory devices. This paper reports on the theoretical explanation of the relationship between polarization and temperature. According to the Fermi-Dirac distribution, the basic property of electric polarization response to temperature in magnetoelectric multiferroic materials is theoretically analyzed. The polarization in magnetoelectric multiferroic materials can be calculated by low temperature using a phenomenological theory suggested in this paper. Simulation results revealed that the numerically calculated results are in good agreement with experimental results of some inhomogeneous multiferroic materials. Numerical simulations have been performed to investigate the influences of both electric and magnetic fields on the polarization in magnetoelectric multiferroic materials. Furthermore, polarization behavior of magnetoelectric multiferroic materials can be predicted by low temperature, electric field and magnetic induction using only one function. The calculations offer an insight into the understanding of the effects of heating and magnetoelectric field on electrical properties of multiferroic materials and offer a potential to use similar methods to analyze electrical properties of other memory devices.

  6. NFAT5-Regulated Macrophage Polarization Supports the Proinflammatory Function of Macrophages and T Lymphocytes.

    Science.gov (United States)

    Tellechea, Mónica; Buxadé, Maria; Tejedor, Sonia; Aramburu, Jose; López-Rodríguez, Cristina

    2018-01-01

    Macrophages are exquisite sensors of tissue homeostasis that can rapidly switch between pro- and anti-inflammatory or regulatory modes to respond to perturbations in their microenvironment. This functional plasticity involves a precise orchestration of gene expression patterns whose transcriptional regulators have not been fully characterized. We had previously identified the transcription factor NFAT5 as an activator of TLR-induced responses, and in this study we explore its contribution to macrophage functions in different polarization settings. We found that both in classically and alternatively polarized macrophages, NFAT5 enhanced functions associated with a proinflammatory profile such as bactericidal capacity and the ability to promote Th1 polarization over Th2 responses. In this regard, NFAT5 upregulated the Th1-stimulatory cytokine IL-12 in classically activated macrophages, whereas in alternatively polarized ones it enhanced the expression of the pro-Th1 mediators Fizz-1 and arginase 1, indicating that it could promote proinflammatory readiness by regulating independent genes in differently polarized macrophages. Finally, adoptive transfer assays in vivo revealed a reduced antitumor capacity in NFAT5-deficient macrophages against syngeneic Lewis lung carcinoma and ID8 ovarian carcinoma cells, a defect that in the ID8 model was associated with a reduced accumulation of effector CD8 T cells at the tumor site. Altogether, detailed analysis of the effect of NFAT5 in pro- and anti-inflammatory macrophages uncovered its ability to regulate distinct genes under both polarization modes and revealed its predominant role in promoting proinflammatory macrophage functions. Copyright © 2017 by The American Association of Immunologists, Inc.

  7. Anatomical Reconstruction and Functional Imaging Reveal an Ordered Array of Skylight Polarization Detectors in Drosophila.

    Science.gov (United States)

    Weir, Peter T; Henze, Miriam J; Bleul, Christiane; Baumann-Klausener, Franziska; Labhart, Thomas; Dickinson, Michael H

    2016-05-11

    Many insects exploit skylight polarization as a compass cue for orientation and navigation. In the fruit fly, Drosophila melanogaster, photoreceptors R7 and R8 in the dorsal rim area (DRA) of the compound eye are specialized to detect the electric vector (e-vector) of linearly polarized light. These photoreceptors are arranged in stacked pairs with identical fields of view and spectral sensitivities, but mutually orthogonal microvillar orientations. As in larger flies, we found that the microvillar orientation of the distal photoreceptor R7 changes in a fan-like fashion along the DRA. This anatomical arrangement suggests that the DRA constitutes a detector for skylight polarization, in which different e-vectors maximally excite different positions in the array. To test our hypothesis, we measured responses to polarized light of varying e-vector angles in the terminals of R7/8 cells using genetically encoded calcium indicators. Our data confirm a progression of preferred e-vector angles from anterior to posterior in the DRA, and a strict orthogonality between the e-vector preferences of paired R7/8 cells. We observed decreased activity in photoreceptors in response to flashes of light polarized orthogonally to their preferred e-vector angle, suggesting reciprocal inhibition between photoreceptors in the same medullar column, which may serve to increase polarization contrast. Together, our results indicate that the polarization-vision system relies on a spatial map of preferred e-vector angles at the earliest stage of sensory processing. The fly's visual system is an influential model system for studying neural computation, and much is known about its anatomy, physiology, and development. The circuits underlying motion processing have received the most attention, but researchers are increasingly investigating other functions, such as color perception and object recognition. In this work, we investigate the early neural processing of a somewhat exotic sense, called

  8. Isgur-Wise Function and Polarization Characteristics of Λb-Baryon

    International Nuclear Information System (INIS)

    Ivanov, M.A.; Lyubovitskij, V.E.

    1994-01-01

    In connection with planned experiments devoted to investigation of semileptonic decays of beauty baryons Isgur-Wise function and polarization characteristics of Λ b baryon are calculated in the framework of diquark model with taking into account of infrared behaviour of heavy quark. (author). 4 figs., 3 tabs

  9. Application of empirical hydration distribution functions around polar atoms for assessing hydration structures of proteins

    International Nuclear Information System (INIS)

    Matsuoka, Daisuke; Nakasako, Masayoshi

    2013-01-01

    Highlights: ► Empirical distribution functions of water molecules in protein hydration are made. ► The functions measure how hydrogen-bond geometry in hydration deviate from ideal. ► The functions assess experimentally identified hydration structures of protein. - Abstract: To quantitatively characterize hydrogen-bond geometry in local hydration structures of proteins, we constructed a set of empirical hydration distribution functions (EHDFs) around polar protein atoms in the main and side chains of 11 types of hydrophilic amino acids (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 113 (2009) 11274). The functions are the ensemble average of possible hydration patterns around the polar atoms, and describe the anisotropic deviations from ideal hydrogen bond geometry. In addition, we defined probability distribution function of hydration water molecules (PDFH) over the hydrophilic surface of a protein as the sum of EHDFs of solvent accessible polar protein atoms. The functions envelop most of hydration sites identified in crystal structures of proteins (D. Matsuoka, M. Nakasako, Journal of Physical Chemistry B 114 (2010) 4652). Here we propose the application of EHDFs and PDFHs for assessing crystallographically identified hydration structures of proteins. First, hydration water molecules are classified with respect to the geometry in hydrogen bonds in referring EHDFs. Difference Fourier electron density map weighted by PDFH of protein is proposed to identify easily density peaks as candidates of hydration water molecules. A computer program implementing those ideas was developed and used for assessing hydration structures of proteins

  10. The rate of charge tunneling is insensitive to polar terminal groups in self-assembled monolayers in Ag(TS)S(CH2)(n)M(CH2)(m)T//Ga2O3/EGaIn junctions.

    Science.gov (United States)

    Yoon, Hyo Jae; Bowers, Carleen M; Baghbanzadeh, Mostafa; Whitesides, George M

    2014-01-08

    This paper describes a physical-organic study of the effect of uncharged, polar, functional groups on the rate of charge transport by tunneling across self-assembled monolayer (SAM)-based large-area junctions of the form Ag(TS)S(CH2)(n)M(CH2)(m)T//Ga2O3/EGaIn. Here Ag(TS) is a template-stripped silver substrate, -M- and -T are "middle" and "terminal" functional groups, and EGaIn is eutectic gallium-indium alloy. Twelve uncharged polar groups (-T = CN, CO2CH3, CF3, OCH3, N(CH3)2, CON(CH3)2, SCH3, SO2CH3, Br, P(O)(OEt)2, NHCOCH3, OSi(OCH3)3), having permanent dipole moments in the range 0.5 < μ < 4.5, were incorporated into the SAM. A comparison of the electrical characteristics of these junctions with those of junctions formed from n-alkanethiolates led to the conclusion that the rates of charge tunneling are insensitive to the replacement of terminal alkyl groups with the terminal polar groups in this set. The current densities measured in this work suggest that the tunneling decay parameter and injection current for SAMs terminated in nonpolar n-alkyl groups, and polar groups selected from common polar organic groups, are statistically indistinguishable.

  11. Amphiphilic invertible polymers: Self-assembly into functional materials driven by environment polarity

    Science.gov (United States)

    Hevus, Ivan

    Stimuli-responsive polymers adapt to environmental changes by adjusting their chain conformation in a fast and reversible way. Responsive polymeric materials have already found use in electronics, coatings industry, personal care, and bio-related areas. The current work aims at the development of novel responsive functional polymeric materials by manipulating environment-dependent self-assembly of a new class of responsive macromolecules strategically designed in this study,—amphiphilic invertible polymers (AIPs). Environment-dependent micellization and self-assembly of three different synthesized AIP types based on poly(ethylene glycol) as a hydrophilic fragment and varying hydrophobic constituents was demonstrated in polar and nonpolar solvents, as well as on the surfaces and interfaces. With increasing concentration, AIP micelles self-assemble into invertible micellar assemblies composed of hydrophilic and hydrophobic domains. Polarity-responsive properties of AIPs make invertible micellar assemblies functional in polar and nonpolar media including at interfaces. Thus, invertible micellar assemblies solubilize poorly soluble substances in their interior in polar and nonpolar solvents. In a polar aqueous medium, a novel stimuli-responsive mechanism of drug release based on response of AIP-based drug delivery system to polarity change upon contact with the target cell has been established using invertible micellar assemblies loaded with curcumin, a phytochemical drug. In a nonpolar medium, invertible micellar assemblies were applied simultaneously as nanoreactors and stabilizers for size-controlled synthesis of silver nanoparticles stable in both polar and nonpolar media. The developed amphiphilic nanosilver was subsequently used as seeds to promote anisotropic growth of CdSe semiconductor nanoparticles that have potential in different applications ranging from physics to medicine. Amphiphilic invertible polymers were shown to adsorb on the surface of silica

  12. Hardness and softness reactivity kernels within the spin-polarized density-functional theory

    International Nuclear Information System (INIS)

    Chamorro, Eduardo; De Proft, Frank; Geerlings, Paul

    2005-01-01

    Generalized hardness and softness reactivity kernels are defined within a spin-polarized density-functional theory (SP-DFT) conceptual framework. These quantities constitute the basis for the global, local (i.e., r-position dependent), and nonlocal (i.e., r and r ' -position dependents) indices devoted to the treatment of both charge-transfer and spin-polarization processes in such a reactivity framework. The exact relationships between these descriptors within a SP-DFT framework are derived and the implications for chemical reactivity in such context are outlined

  13. Experimental results on polarized structure functions in deep inelastic lepton-nucleon scattering

    International Nuclear Information System (INIS)

    Stuart, L.

    1994-08-01

    A summary is given of experimental results on spin structure functions of the proton g 1 p (x,Q 2 ), deuteron g 1 d (x,Q 2 ), and neutron g 1 n (x,Q 2 ) as measured in deep inelastic scattering of polarized leptons from a polarized target. All results are consistent with the Bjorken sum rule predictions at the Q 2 of each experiment. The data do not support the Ellis-Jaffe sum rule prediction for the proton which implies that the hencity carried by the strange quark may be nonzero and that the net quark helicity is smaller than expected from simple quark models

  14. Photoinduced reorientation and polarization holography in a new photopolymer with 4-methoxy-N-benzylideneaniline side groups

    Directory of Open Access Journals (Sweden)

    Nobuhiro Kawatsuki

    2013-08-01

    Full Text Available The photoinduced reorientation and surface relief (SR formation behaviors of a novel photosensitive polymer, which was transparent in visible region, were investigated using linearly polarized-313-nm light and holographic exposure with a 325-nm He-Cd laser. The polymer was comprised of photosensitive 4-methoxy-N-benzylideneaniline side groups, and exhibited a sufficient photoinduced molecular reorientation with a birefringence of 0.11. Holographic exposure generated a SR structure, which had a periodical molecular reorientation that depended on the polarization of the interference beams. The generated SR height was ∼212 nm, and the inscription of a double holographic exposure yielded a two-dimensional SR structure.

  15. Cooperative catalysis by silica-supported organic functional groups

    OpenAIRE

    Margelefsky, Eric L.; Zeidan, Ryan K.; Davis, Mark E.

    2008-01-01

    Hybrid inorganic–organic materials comprising organic functional groups tethered from silica surfaces are versatile, heterogeneous catalysts. Recent advances have led to the preparation of silica materials containing multiple, different functional groups that can show cooperative catalysis; that is, these functional groups can act together to provide catalytic activity and selectivity superior to what can be obtained from either monofunctional materials or homogeneous catalysts. This tutorial...

  16. A semiconductor metasurface with multiple functionalities: A polarizing beam splitter with simultaneous focusing ability

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jun Hyung; Jin Jung, Myoung; Ho Song, Seok, E-mail: shsong@hanyang.ac.kr [Department of Physics, Hanyang University, Seoul (Korea, Republic of); Woong Yoon, Jae; Magnusson, Robert [Department of Electrical Engineering, University of Texas–Arlington, Arlington, Texas 76019 (United States); Kyun Hong, Jong [Department of Electrical Engineering, Hanyang University, Seoul (Korea, Republic of)

    2014-06-09

    We propose a semiconductor metasurface that simultaneously performs two independent functions: focusing and polarization filtering. The wavefronts of the reflected and transmitted light distributions are precisely manipulated by spatial parametric variation of a subwavelength thin-film Si grating, which inherently possesses polarization filtering properties. We design a 12-μm-wide metasurface containing only nineteen Si grating ridges. Under a 10-μm-wide unpolarized Gaussian beam incidence at wavelength of 1.55 μm, the resulting device shows promising theoretical performance with high power efficiency exceeding 80% and polarization extinction ratio of ∼10 dB with focal spot diameters near 1–2 μm.

  17. Wigner functions from the two-dimensional wavelet group.

    Science.gov (United States)

    Ali, S T; Krasowska, A E; Murenzi, R

    2000-12-01

    Following a general procedure developed previously [Ann. Henri Poincaré 1, 685 (2000)], here we construct Wigner functions on a phase space related to the similitude group in two dimensions. Since the group space in this case is topologically homeomorphic to the phase space in question, the Wigner functions so constructed may also be considered as being functions on the group space itself. Previously the similitude group was used to construct wavelets for two-dimensional image analysis; we discuss here the connection between the wavelet transform and the Wigner function.

  18. Dual descriptors within the framework of spin-polarized density functional theory.

    Science.gov (United States)

    Chamorro, E; Pérez, P; Duque, M; De Proft, F; Geerlings, P

    2008-08-14

    Spin-polarized density functional theory (SP-DFT) allows both the analysis of charge-transfer (e.g., electrophilic and nucleophilic reactivity) and of spin-polarization processes (e.g., photophysical changes arising from electron transitions). In analogy with the dual descriptor introduced by Morell et al. [J. Phys. Chem. A 109, 205 (2005)], we introduce new dual descriptors intended to simultaneously give information of the molecular regions where the spin-polarization process linking states of different multiplicity will drive electron density and spin density changes. The electronic charge and spin rearrangement in the spin forbidden radiative transitions S(0)-->T(n,pi(*)) and S(0)-->T(pi,pi(*)) in formaldehyde and ethylene, respectively, have been used as benchmark examples illustrating the usefulness of the new spin-polarization dual descriptors. These quantities indicate those regions where spin-orbit coupling effects are at work in such processes. Additionally, the qualitative relationship between the topology of the spin-polarization dual descriptors and the vertical singlet triplet energy gap in simple substituted carbene series has been also discussed. It is shown that the electron density and spin density rearrangements arise in agreement with spectroscopic experimental evidence and other theoretical results on the selected target systems.

  19. Polarization response functions and the (/rvec e/,e'/rvec p/) reaction

    International Nuclear Information System (INIS)

    Picklesimer, A.; Van Orden, J.W.

    1988-01-01

    The first comprehensive study of the full set of eighteen response functions relevant to the (/rvec e/,e'/rvec p/) reaction is presented. Benchmark analytical features and limiting cases of the response functions are described. Numerical predictions contrasting nonrelativistic and relativistic (Dirac) dynamics and on- and off- shell final state interaction effects are presented. Basic physical characteristics and dependences of the response functions are identified. The outlook for future experimental studies of the (/rvec e/,e'/rvec p/) polarization response functions is discussed. 56 refs., 5 figs., 1 tab

  20. Special functions and the theory of group representations

    CERN Document Server

    Vilenkin, N Ja

    1968-01-01

    A standard scheme for a relation between special functions and group representation theory is the following: certain classes of special functions are interpreted as matrix elements of irreducible representations of a certain Lie group, and then properties of special functions are related to (and derived from) simple well-known facts of representation theory. The book combines the majority of known results in this direction. In particular, the author describes connections between the exponential functions and the additive group of real numbers (Fourier analysis), Legendre and Jacobi polynomials and representations of the group SU(2), and the hypergeometric function and representations of the group SL(2,R), as well as many other classes of special functions.

  1. Polar red-emitting rhodamine dyes with reactive groups: synthesis, photophysical properties, and two-color STED nanoscopy applications.

    Science.gov (United States)

    Kolmakov, Kirill; Wurm, Christian A; Meineke, Dirk N H; Göttfert, Fabian; Boyarskiy, Vadim P; Belov, Vladimir N; Hell, Stefan W

    2014-01-03

    The synthesis, reactivity, and photophysical properties of new rhodamines with intense red fluorescence, two polar residues (hydroxyls, primary phosphates, or sulfonic acid groups), and improved hydrolytic stability of the amino-reactive sites (NHS esters or mixed N-succinimidyl carbonates) are reported. All fluorophores contain an N-alkyl-1,2-dihydro-2,2,4-trimethylquinoline fragment, and most of them bear a fully substituted tetrafluoro phenyl ring with a secondary carboxamide group. The absorption and emission maxima in water are in the range of 635-639 and 655-659 nm, respectively. A vastly simplified approach to red-emitting rhodamines with two phosphate groups that are compatible with diverse functional linkers was developed. As an example, a phosphorylated dye with an azide residue was prepared and was used in a click reaction with a strained alkyne bearing an N-hydroxysuccinimid (NHS) ester group. This method bypasses the undesired activation of phosphate groups, and gives an amphiphilic amino-reactive dye, the solubility and distribution of which between aqueous and organic phases can be controlled by varying the pH. The presence of two hydroxyl groups and a phenyl ring with two carboxyl residues in the dyes with another substitution pattern is sufficient for providing the hydrophilic properties. Selective formation of a mono-N-hydroxysuccinimidyl ester from 5-carboxy isomer of this rhodamine is reported. The fluorescence quantum yields varied from 58 to 92% for free fluorophores, and amounted to 18-64% for antibody conjugates in aqueous buffers. The brightness and photostability of these fluorophores facilitated two-color stimulated emission depletion (STED) fluorescence nanoscopy of biological samples with high contrast and minimal background. Selecting a pair of fluorophores with absorption/emission bands at 579/609 and 635/655 nm enabled two-color channels with low cross-talk and negligible background at approximately 40 nm resolution. Copyright

  2. Subgroups of class groups of algebraic quadratic function fields

    International Nuclear Information System (INIS)

    Wang Kunpeng; Zhang Xianke

    2001-09-01

    Ideal class groups H(K) of algebraic quadratic function fields K are studied, by using mainly the theory of continued fractions of algebraic functions. Properties of such continued fractions are discussed first. Then a necessary and sufficient condition is given for the class group H(K) to contain a cyclic subgroup of any order n, this criterion condition holds true for both real and imaginary fields K. Furthermore, several series of function fields K, including real, inertia imaginary, as well as ramified imaginary quadratic function fields, are given, and their class groups H(K) are proved to contain cyclic subgroups of order n. (author)

  3. A transmembrane polar interaction is involved in the functional regulation of integrin alpha L beta 2.

    Science.gov (United States)

    Vararattanavech, Ardcharaporn; Chng, Choon-Peng; Parthasarathy, Krupakar; Tang, Xiao-Yan; Torres, Jaume; Tan, Suet-Mien

    2010-05-14

    Integrins are heterodimeric transmembrane (TM) receptors formed by noncovalent associations of alpha and beta subunits. Each subunit contains a single alpha-helical TM domain. Inside-out activation of an integrin involves the separation of its cytoplasmic tails, leading to disruption of alphabeta TM packing. The leukocyte integrin alpha L beta 2 is required for leukocyte adhesion, migration, proliferation, cytotoxic function, and antigen presentation. In this study, we show by mutagenesis experiments that the packing of alpha L beta 2 TMs is consistent with that of the integrin alpha IIb beta 3 TMs. However, molecular dynamics simulations of alpha L beta 2 TMs in lipids predicted a polar interaction involving the side chains of alpha L Ser1071 and beta2 Thr686 in the outer-membrane association clasp (OMC). This is supported by carbonyl vibrational shifts observed in isotope-labeled alpha L beta 2 TM peptides that were incorporated into lipid bilayers. Molecular dynamics studies simulating the separation of alpha L beta 2 tails showed the presence of polar interaction during the initial perturbation of the inner-membrane association clasp. When the TMs underwent further separation, the polar interaction was disrupted. OMC polar interaction is important in regulating the functions of beta2 integrins because mutations that disrupt the OMC polar interaction generated constitutively activated alpha L beta 2, alpha M beta 2, and alpha X beta 2 in 293T transfectants. We also show that the expression of mutant beta2 Thr686Gly in beta2-deficient T cells rescued cell adhesion to intercellular adhesion molecule 1, but the cells showed overt elongated morphologies in response to chemokine stromal-cell-derived factor 1 alpha treatment as compared to wild-type beta2-expressing cells. These two TM polar residues are totally conserved in other members of the beta2 integrins in humans and across different species. Our results provide an example of the stabilizing effect of polar

  4. A Precision Measurement of the Neutron Spin Structure Functions Using a Polarized HE-3 Target

    International Nuclear Information System (INIS)

    Smith, T

    2003-01-01

    This thesis describes a precision measurement of the neutron spin dependent structure function, g 1 n (x). The measurement was made by the E154 collaboration at SLAC using a longitudinally polarized, 48.3 GeV electron beam, and a 3 He target polarized by spin exchange with optically pumped rubidium. A target polarization as high as 50% was achieved. The elements of the experiment which pertain to the polarized 3 He target will be described in detail in this thesis. To achieve a precision measurement, it has been necessary to minimize the systematic error from the uncertainty in the target parameters. All of the parameters of the target have been carefully measured, and the most important parameters of the target have been measured using multiple techniques. The polarization of the target was measured using nuclear magnetic resonance techniques, and has been calibrated using both proton NMR and by measuring the shift of the Rb Zeeman resonance frequency due to the 3 He polarization. The fraction of events which originated in the 3 He, as measured by the spectrometers, has been determined using a physical model of the target and the spectrometers. It was also measured during the experiment using a variable pressure 3 He reference cell in place of the polarized 3 He target. The spin dependent structure function g 1 n (z) was measured in the Bjorken x range of 0.014 2 of 5 (GeV/c) 2 . One of the primary motivations for this experiment was to test the Bjorken sum rule. Because the experiment had smaller statistical errors and a broader kinematic coverage than previous experiments, the behavior of the spin structure function g 1 n (x) could be studied in detail at low values of the Bjorken scaling variable x. It was found that g 1 n (x) has a strongly divergent behavior at low values of x, calling into question the methods commonly used to extrapolate the value of g 1 n (x) to low x. The precision of the measurement made by the E154 collaboration at SLAC puts a tighter

  5. A Precision Measurement of the Neutron Spin Structure Functions Using a Polarized HE-3 Target

    Energy Technology Data Exchange (ETDEWEB)

    Smith, T

    2003-11-05

    This thesis describes a precision measurement of the neutron spin dependent structure function, g{sub 1}{sup n}(x). The measurement was made by the E154 collaboration at SLAC using a longitudinally polarized, 48.3 GeV electron beam, and a {sup 3}He target polarized by spin exchange with optically pumped rubidium. A target polarization as high as 50% was achieved. The elements of the experiment which pertain to the polarized {sup 3}He target will be described in detail in this thesis. To achieve a precision measurement, it has been necessary to minimize the systematic error from the uncertainty in the target parameters. All of the parameters of the target have been carefully measured, and the most important parameters of the target have been measured using multiple techniques. The polarization of the target was measured using nuclear magnetic resonance techniques, and has been calibrated using both proton NMR and by measuring the shift of the Rb Zeeman resonance frequency due to the {sup 3}He polarization. The fraction of events which originated in the {sup 3}He, as measured by the spectrometers, has been determined using a physical model of the target and the spectrometers. It was also measured during the experiment using a variable pressure {sup 3}He reference cell in place of the polarized {sup 3}He target. The spin dependent structure function g{sub 1}{sup n}(z) was measured in the Bjorken x range of 0.014 < x < 0.7 with an average Q{sup 2} of 5 (GeV/c){sup 2}. One of the primary motivations for this experiment was to test the Bjorken sum rule. Because the experiment had smaller statistical errors and a broader kinematic coverage than previous experiments, the behavior of the spin structure function g{sub 1}{sup n}(x) could be studied in detail at low values of the Bjorken scaling variable x. It was found that g{sub 1}{sup n}(x) has a strongly divergent behavior at low values of x, calling into question the methods commonly used to extrapolate the value of g

  6. Polarized triple-collinear splitting functions at NLO for processes with photons

    International Nuclear Information System (INIS)

    Sborlini, Germán F.R.; Florian, Daniel de; Rodrigo, Germán

    2015-01-01

    We compute the polarized splitting functions in the triple collinear limit at next-to-leading order accuracy (NLO) in the strong coupling α_S, for the splitting processes γ→qq-barγ, γ→qq-barg and g→qq-barγ. The divergent structure of each splitting function was compared to the predicted behaviour according to Catani’s formula. The results obtained in this paper are compatible with the unpolarized splitting functions computed in a previous article. Explicit results for NLO corrections are presented in the context of conventional dimensional regularization (CDR).

  7. Polarized triple-collinear splitting functions at NLO for processes with photons

    Energy Technology Data Exchange (ETDEWEB)

    Sborlini, Germán F.R. [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Instituto de Física Corpuscular, Universitat de València,Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna, Valencia (Spain); Florian, Daniel de [Departamento de Física and IFIBA, FCEyN, Universidad de Buenos Aires (1428) Pabellón 1 Ciudad Universitaria, Capital Federal (Argentina); Rodrigo, Germán [Instituto de Física Corpuscular, Universitat de València,Consejo Superior de Investigaciones Científicas,Parc Científic, E-46980 Paterna, Valencia (Spain)

    2015-03-04

    We compute the polarized splitting functions in the triple collinear limit at next-to-leading order accuracy (NLO) in the strong coupling α{sub S}, for the splitting processes γ→qq-barγ, γ→qq-barg and g→qq-barγ. The divergent structure of each splitting function was compared to the predicted behaviour according to Catani’s formula. The results obtained in this paper are compatible with the unpolarized splitting functions computed in a previous article. Explicit results for NLO corrections are presented in the context of conventional dimensional regularization (CDR).

  8. Temporal formation of optical anisotropy and surface relief during polarization holographic recording in polymethylmethacrylate with azobenzene side groups

    Science.gov (United States)

    Sasaki, Tomoyuki; Izawa, Masahiro; Noda, Kohei; Nishioka, Emi; Kawatsuki, Nobuhiro; Ono, Hiroshi

    2014-03-01

    The formation of polarization holographic gratings with both optical anisotropy and surface relief (SR) deformation was studied for polymethylmethacrylate with azobenzene side groups. Temporal contributions of isotropic and anisotropic phase gratings were simultaneously determined by observing transitional intensity and polarization states of the diffraction beams and characterizing by means of Jones calculus. To clarify the mechanism of SR deformation, cross sections of SR were characterized based on the optical gradient force model; experimental observations were in good agreement with the theoretical expectation. We clarified that the anisotropic phase change originating in the reorientation of the azobenzene side groups was induced immediately at the beginning of the holographic recording, while the response time of the isotropic phase change originating in the molecular migration due to the optical gradient force was relatively slow.

  9. Temporal characteristics of polarization holographic gratings formed in a photosensitive polymeric film containing N-benzylideneaniline derivative side groups

    Science.gov (United States)

    Sasaki, Tomoyuki; Shoho, Takashi; Noda, Kohei; Kawatsuki, Nobuhiro; Ono, Hiroshi

    2014-04-01

    A polarization holographic grating was recorded in a transparent thin film formed from polymethacrylate with N-benzylideneaniline (NBA) derivative side groups. We measured the real time diffraction properties. The data were analyzed based on a theoretical model that accounted for the distribution of optical anisotropy caused by molecular reorientation as well as for surface relief (SR) deformation caused by molecular motion. Optical anisotropy rapidly increased and then slowly decreased, with increasing recording time. This phenomenon was described based on photoisomerization and photocleavage reactions of the NBA side groups. SR deformation was also induced in the film by polarization holographic recording, without any subsequent processes. The photoinduced optical anisotropy and SR deformation were retained after the recording was turned off.

  10. Temporal characteristics of polarization holographic gratings formed in a photosensitive polymeric film containing N-benzylideneaniline derivative side groups

    Energy Technology Data Exchange (ETDEWEB)

    Sasaki, Tomoyuki, E-mail: sasaki-tomoy@vos.nagaokaut.ac.jp; Shoho, Takashi; Noda, Kohei; Ono, Hiroshi [Department of Electrical Engineering, Nagaoka University of Technology, 1603-1 Kamitomioka, Nagaoka, Niigata 940-2188 (Japan); Kawatsuki, Nobuhiro [Department of Materials Science and Chemistry, Graduate School of Engineering, University of Hyogo, 2167 Shosha, Himeji, Hyogo 671-2280 (Japan)

    2014-04-21

    A polarization holographic grating was recorded in a transparent thin film formed from polymethacrylate with N-benzylideneaniline (NBA) derivative side groups. We measured the real time diffraction properties. The data were analyzed based on a theoretical model that accounted for the distribution of optical anisotropy caused by molecular reorientation as well as for surface relief (SR) deformation caused by molecular motion. Optical anisotropy rapidly increased and then slowly decreased, with increasing recording time. This phenomenon was described based on photoisomerization and photocleavage reactions of the NBA side groups. SR deformation was also induced in the film by polarization holographic recording, without any subsequent processes. The photoinduced optical anisotropy and SR deformation were retained after the recording was turned off.

  11. Use of polarization measurements in evaluating cascade contributions to optical excitation functions

    International Nuclear Information System (INIS)

    McConkey, J.W.

    1981-01-01

    Recent developments in theory and experimental measurements of rotational line polarization fractions of diatomic molecules following electron impact are used to show how in some instances cascade free optical excitation functions can be derived without additional measurements of the cascading contribution. The Lyman system of H 2 is presented as an example and some previously conflicting excitation cross-section measurements obtained by different techniques are reconciled

  12. Influence of functional groups on charge transport in molecular junctions

    DEFF Research Database (Denmark)

    Mowbray, Duncan; Jones, Glenn; Thygesen, Kristian Sommer

    2008-01-01

    Using density functional theory (DFT), we analyze the influence of five classes of functional groups, as exemplified by NO2, OCH3, CH3, CCl3, and I, on the transport properties of a 1,4-benzenedithiolate (BDT) and 1,4-benzenediamine (BDA) molecular junction with gold electrodes. Our analysis...... demonstrates how ideas from functional group chemistry may be used to engineer a molecule's transport properties, as was shown experimentally and using a semiempirical model for BDA [Nano Lett. 7, 502 (2007)]. In particular, we show that the qualitative change in conductance due to a given functional group can...... be predicted from its known electronic effect (whether it is sigma/pi donating/withdrawing). However, the influence of functional groups on a molecule's conductance is very weak, as was also found in the BDA experiments. The calculated DFT conductances for the BDA species are five times larger than...

  13. Jigsaw puzzle metasurface for multiple functions: polarization conversion, anomalous reflection and diffusion.

    Science.gov (United States)

    Zhao, Yi; Cao, Xiangyu; Gao, Jun; Liu, Xiao; Li, Sijia

    2016-05-16

    We demonstrate a simple reconfigurable metasurface with multiple functions. Anisotropic tiles are investigated and manufactured as fundamental elements. Then, the tiles are combined in a certain sequence to construct a metasurface. Each of the tiles can be adjusted independently which is like a jigsaw puzzle and the whole metasurface can achieve diverse functions by different layouts. For demonstration purposes, we realize polarization conversion, anomalous reflection and diffusion by a jigsaw puzzle metasurface with 6 × 6 pieces of anisotropic tile. Simulated and measured results prove that our method offers a simple and effective strategy for metasurface design.

  14. Plant functional group classifications and a generalized hierarchical ...

    African Journals Online (AJOL)

    Yomi

    2010-12-27

    Dec 27, 2010 ... functional traits ranging from the molecular to the biospherical level, and operating on ... Many researchers have discussed landscape dynamics ... concept groups plant species into distinct clusters accor- ..... simulations. Ecol.

  15. Renormalization group, principle of invariance and functional automodelity

    International Nuclear Information System (INIS)

    Shirkov, D.V.

    1981-01-01

    There exists a remarkable identity of functional equations describing the property of functional automodelity in diverse branches of physics: renormalization group equations in quantum field theory, functional equations of the invariance principle of the one-dimensional transport theory and some others. The origin of this identity is investigated. It is shown that the structure of these equations reflects the simple and general property of transitivity with respect to the way of fixatio of initial on effective degrees of freedom [ru

  16. Executive function in different groups of university students

    OpenAIRE

    Prosen, Simona; Smrtnik Vitulić, Helena

    2015-01-01

    The present study analyses the executive function (EF) skills of 369 students of primary education (n = 116), preschool education (n = 72), social pedagogy (n = 54), and biology (n = 128). It explores how the different groups of students use selected executive skills and whether there are any differences between the groups in this respect. Eleven EF skills were self-assessed using the Executive Skills Questionnaire for Students (Dawson & Guare, 2010). All of the groups of students experien...

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

    Science.gov (United States)

    Weisman, Andrew L.

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

  18. Cross-polarization microwave radar return at severe wind conditions: laboratory model and geophysical model function.

    Science.gov (United States)

    Troitskaya, Yuliya; Abramov, Victor; Ermoshkin, Alexey; Zuikova, Emma; Kazakov, Vassily; Sergeev, Daniil; Kandaurov, Alexandr

    2014-05-01

    Satellite remote sensing is one of the main techniques of monitoring severe weather conditions over the ocean. The principal difficulty of the existing algorithms of retrieving wind based on dependence of microwave backscattering cross-section on wind speed (Geophysical Model Function, GMF) is due to its saturation at winds exceeding 25 - 30 m/s. Recently analysis of dual- and quad-polarization C-band radar return measured from satellite Radarsat-2 suggested that the cross-polarized radar return has much higher sensitivity to the wind speed than co-polarized back scattering [1] and conserved sensitivity to wind speed at hurricane conditions [2]. Since complete collocation of these data was not possible and time difference in flight legs and SAR images acquisition was up to 3 hours, these two sets of data were compared in [2] only statistically. The main purpose of this paper is investigation of the functional dependence of cross-polarized radar cross-section on the wind speed in laboratory experiment. Since cross-polarized radar return is formed due to scattering at small-scale structures of the air-sea interface (short-crested waves, foam, sprays, etc), which are well reproduced in laboratory conditions, then the approach based on laboratory experiment on radar scattering of microwaves at the water surface under hurricane wind looks feasible. The experiments were performed in the Wind-wave flume located on top of the Large Thermostratified Tank of the Institute of Applied Physics, where the airflow was produced in the flume with the straight working part of 10 m and operating cross section 0.40?0.40 sq. m, the axis velocity can be varied from 5 to 25 m/s. Microwave measurements were carried out by a coherent Doppler X-band (3.2 cm) scatterometer with the consequent receive of linear polarizations. Experiments confirmed higher sensitivity to the wind speed of the cross-polarized radar return. Simultaneously parameters of the air flow in the turbulent boundary layer

  19. Sound velocity variation as function of polarization state in Lead Zirconate Titanate (PZT) Ceramics

    International Nuclear Information System (INIS)

    Essolaani, W; Farhat, N

    2012-01-01

    There are several ultrasonic techniques to measure the sound velocity, for example, the pulse-echo method. In such method, the size of transducer used to measure the sound velocity must be in the same order of the sample size. If not, the incompatibility of sizes becomes an error source of the sound velocity measurement. In this work, the Laser Induced Pressure Pulse (LIPP) method is used as ultrasonic method. This method has been very useful for studying the spatial distribution of charges and polarization in dielectrics. We take advantage of the fact that the method allows the sound velocity measurement, to study its variation as function of polarization state in (PZT) ceramics. In a sample with a known thickness e, the sound velocity ν is deduced from the measurement of the transit time T. The sound velocity depends on the elastic constants which in turn they depend on poling conditions. Thus, the variation of the sound velocity is related to the direction and the amplitude of the polarization.

  20. Blind polarization demultiplexing by constructing a cost function for coherent optical PDM-OFDM.

    Science.gov (United States)

    Yu, Zhenming; Chen, Minghua; Chen, Hongwei; Yi, Xingwen; Yang, Sigang; Xie, Shizhong

    2015-07-13

    We propose a training symbols-free polarization demultiplexing method by constructing a cost function (CCF-PDM) for coherent optical PDM-OFDM. This method is applicable for high-speed, wide-bandwidth OFDM signals, different subcarrier modulation formats and long-haul transmission. It shows comparable performance with that of conventional method but without overhead and converges fast. Since the neighboring subcarriers experience similar polarization effects, we set the initial matrix parameters by the neighboring subcarrier to reduce the number of iteration for the gradient algorithm and prevent swapping the data of the two orthogonal polarizations. We verify this method in experiment by transmitting 66.6-Gb/s PDM-OFDM signal with 4QAM subcarrier modulation over 5440 km SSMF and 133.3-Gb/s PDM-OFDM signal with 16QAM subcarrier modulation over 960 km SSMF respectively. We compare its performance with that of training symbols. We also analyze the convergence speed of this method.

  1. Ratiometric fluorescence polarization as a cytometric functional parameter: theory and practice

    International Nuclear Information System (INIS)

    Yishai, Yitzhak; Fixler, Dror; Cohen-Kashi, Meir; Zurgil, Naomi; Deutsch, Mordechai

    2003-01-01

    The use of ratiometric fluorescence polarization (RFP) as a functional parameter in monitoring cellular activation is suggested, based on the physical phenomenon of fluorescence polarization dependency on emission wavelengths in multiple (at least binary) solutions. The theoretical basis of this dependency is thoroughly discussed and examined via simulation. For simulation, aimed to imitate a fluorophore-stained cell, real values of the fluorescence spectrum and polarization of different single fluorophore solutions were used. The simulation as well as the experimentally obtained values of RFP indicated the high sensitivity of this measure. Finally, the RFP parameter was utilized as a cytometric measure in three exemplary cellular bioassays. In the first, the apoptotic effect of oxLDL in a human Jurkat FDA-stained T cell line was monitored by RFP. In the second, the interaction between cell surface membrane receptors of human T lymphocyte cells was monitored by RFP measurements as a complementary means to the fluorescence resonance energy transfer (FRET) technique. In the third bioassay, cellular thiol level of FDA- and CMFDA-labelled Jurkat T cells was monitored via RFP

  2. Implement the medical group revenue function. Create competitive advantage.

    Science.gov (United States)

    Colucci, C

    1998-01-01

    This article shows medical groups how they can employ new financial management and information technology techniques to safeguard their revenue and income streams. These managerial techniques stem from the application of the medical group revenue function, which is defined herein. This article also describes how the medical group revenue function can be used to create value by employing a database and a decision support system. Finally, the article describes how the decision support system can be used to create competitive advantage. Through the wise use of internally generated information, medical groups can negotiate better contract terms, improve their operations, cut their costs, embark on capital investment programs and improve market share. As medical groups gain market power by improving in these areas, they will be more attractive to potential strategic allies, payers and investment bankers.

  3. The Evolution of the Personnel Function in Capital Group (Case of Zywiec Group

    Directory of Open Access Journals (Sweden)

    Anna Borkowska

    2008-04-01

    Full Text Available This article constitutes a detailed case study on the evolution on the personnel function in Zywiec Group that followed from the restructuring of the member breweries of the capital group. It covers the process of integration of the Group and changes to the human resources management system. It also contains theoretical reflections upon the role of HR specialists in the process of the integration of the companies. The organization of the personnel function has been presented here against a period spanning 3 years of G activity (wider range of HR responsibility, increase in the number of specialists employed in HR, lower age, higher level of education.

  4. Discretization of four types of Weyl group orbit functions

    International Nuclear Information System (INIS)

    Hrivnák, Jiří

    2013-01-01

    The discrete Fourier calculus of the four families of special functions, called C–, S–, S s – and S l -functions, is summarized. Functions from each of the four families of special functions are discretely orthogonal over a certain finite set of points. The generalizations of discrete cosine and sine transforms of one variable — the discrete S s – and S l -transforms of the group F 4 — are considered in detail required for their exploitation in discrete Fourier spectral methods. The continuous interpolations, induced by the discrete expansions, are presented

  5. Single or functionalized fullerenes interacting with heme group

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Wallison Chaves; Diniz, Eduardo Moraes, E-mail: eduardo.diniz@ufma.br [Departamento de Física, Universidade Federal do Maranhão, Avenida dos Portugueses, 1966, CEP 65080-805, São Luís - MA (Brazil)

    2014-09-15

    The heme group is responsible for iron transportation through the bloodstream, where iron participates in redox reactions, electron transfer, gases detection etc. The efficiency of such processes can be reduced if the whole heme molecule or even the iron is somehow altered from its original oxidation state, which can be caused by interactions with nanoparticles as fullerenes. To verify how such particles alter the geometry and electronic structure of heme molecule, here we report first principles calculations based on density functional theory of heme group interacting with single C{sub 60} fullerene or with C{sub 60} functionalized with small functional groups (−CH{sub 3}, −COOH, −NH{sub 2}, −OH). The calculations shown that the system heme + nanoparticle has a different spin state in comparison with heme group if the fullerene is functionalized. Also a functional group can provide a stronger binding between nanoparticle and heme molecule or inhibit the chemical bonding in comparison with single fullerene results. In addition heme molecule loses electrons to the nanoparticles and some systems exhibited a geometry distortion in heme group, depending on the binding energy. Furthermore, one find that such nanoparticles induce a formation of spin up states in heme group. Moreover, there exist modifications in density of states near the Fermi energy. Although of such changes in heme electronic structure and geometry, the iron atom remains in the heme group with the same oxidation state, so that processes that involve the iron might not be affected, only those that depend on the whole heme molecule.

  6. The QED vacuum polarization function at four loops and the anomalous magnetic moment at five loops

    International Nuclear Information System (INIS)

    Baikov, P.

    2013-07-01

    The anomalous moment of the muon is one of the most fundamental observables. It has been measured experimentally with a very high precision and on theory side the contributions from perturbative QED have been calculated up to five-loop level by numerical methods. Contributions to the muon anomalous magnetic moment from certain diagram classes are also accessible by alternative methods. In this paper we present the evaluation of contributions to the QCD corrections due to insertions of the vacuum polarization function at five-loop level.

  7. The QED vacuum polarization function at four loops and the anomalous magnetic moment at five loops

    Energy Technology Data Exchange (ETDEWEB)

    Baikov, P. [Moscow State Univ. (Russian Federation). D.V. Skobeltsyn Inst. of Nuclear Physics; Maier, A. [Technische Univ. Muenchen, Garching (Germany). Physics Dept. T31; Marquard, P. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany)

    2013-07-15

    The anomalous moment of the muon is one of the most fundamental observables. It has been measured experimentally with a very high precision and on theory side the contributions from perturbative QED have been calculated up to five-loop level by numerical methods. Contributions to the muon anomalous magnetic moment from certain diagram classes are also accessible by alternative methods. In this paper we present the evaluation of contributions to the QCD corrections due to insertions of the vacuum polarization function at five-loop level.

  8. Intrinsic polarization of the high energy W-boson structure functions

    International Nuclear Information System (INIS)

    Ralston, J.P.; Olness, F.

    1986-01-01

    Several new issues are presented that are to be incorporated into a consistent treatment of high-energy transverse effective-W boson structure functions. The issues included the numerical importance of the proper choice of scale, and the q 2 evolution of the boson structure functions in an Altarelli-Parisi framework. We investigate a novel effect of the V-A coupling which produces a sizable intrinsic polarization of the W distributions. A preliminary estimate yields a left- to right-helicity structure function ratio W/sub L// + W/sub R/ + ≅ 1 - 21/(1 - x) + 21/(1 - x) 2 . For x ≥ 0.06, there are two lift-handed W + 's for every right-handed one in an unpolarized proton. 11 refs., 2 figs

  9. Real photon spectral weight functions, imaginary part of vacuum polarization and electromagnetic vertices

    International Nuclear Information System (INIS)

    Chahine, C.; College de France, 75 - Paris. Lab. de Physique Corpusculaire)

    1978-02-01

    The concept of a real photon spectral weight function for any cross-section involving charged particles is introduced as a simple approximation taking into account the soft part of photon emission to all orders in perturbation theory. The spectral weight function replaces the energy-momentum conservation delta function in the elastic cross-section. The spectral weight function is computed in closed form in space-time and in the peaking approximation in momentum space. The spectral weight function description is applied to the imaginary part of vacuum polarization ImPI and to electron-proton scattering. A spectral representation for ImPI is derived and its content compared with the known fourth order result, showing in particular the identity of the soft and peaking approximations in lowest order. The virtual photon radiative corrections are discussed in part, with emphasis on the threshold behavior of the vertex functions. A relativistic generalization of the electric non-relativistic vertex function is given, whose asymptotic behavior is approppriate to use in conjuction with the spectral weight function

  10. Functionalized TiO2 nanoparticle containing isocyanate groups

    International Nuclear Information System (INIS)

    Ou, Baoli; Li, Duxin; Liu, Qingquan; Zhou, Zhihua; Liao, Bo

    2012-01-01

    Functionalized TiO 2 nanoparticle containing isocyanate groups can extend the TiO 2 nanoparticle chemistry, and may promote their many potential applications such as in polymer composites and coatings. This paper describes a facile method to prepare functionalized TiO 2 nanoparticle with highly reactive isocyanate groups on its surface, via the reaction between toluene-2, 4-diisocyanate (TDI) and hydroxyl on TiO 2 nanoparticle surface. The main effect factors on the reaction of TiO 2 with TDI were studied by determining the reaction extent of hydroxyl groups on TiO 2 surface. Fourier-transformed infrared spectroscopy (FTIR) and thermogravimetric analysis (TGA) confirmed that reactive isocyanate groups were covalently attached to the TiO 2 nanoparticle surface. The dispersion of the TDI-functionalized TiO 2 nanoparticle was studied by transmission electron microscopy (TEM). Owing to the TDI molecules covalently bonded on TiO 2 nanoparticle surface, it was established that the TiO 2 nanoparticle can be uniformly dispersed in toluene, thus indicating that this functionalization method can prevent TiO 2 nanoparticle from agglomerating. -- Highlights: ► TiO 2 nanoparticle was functionalized with toluene-2, 4-diisocyanate. ► Functionalized TiO 2 nanoparticle can be uniformly dispersed in xylene. ► Compatibility of TiO 2 nanoparticle and organic solvent is significantly improved. ► TiO 2 containing isocyanate groups can extend the TiO 2 nanoparticle chemistry.

  11. Determination of the Bjorken Sum and Strong Coupling from Polarized Structure Functions

    CERN Document Server

    Altarelli, Guido; Forte, Stefano; Ridolfi, G; Altarelli, Guido; Ball, Richard D.; Forte, Stefano; Ridolfi, Giovanni

    1997-01-01

    We present a NLO perturbative analysis of all available data on the polarized structure function g_1(x,Q^2) with the aim of making a quantitative test of the validity of the Bjorken sum rule, of measuring \\alpha_s, and of deriving helicity fractions. We take particular care over the small x extrapolation, since it is now known that Regge behaviour is unreliable at perturbative scales. For fixed \\alpha_s we find that if all the most recent data are included g_A=1.18\\pm0.09, confirming the Bjorken sum rule at the 8% level. We further show that the value of \\alpha_s is now reasonably well constrained by scaling violations in the structure function data, despite the fact that it cannot yet be reliably fixed by the value of the Bjorken sum: our final result is \\alpha_s(m_Z) = 0.120+0.010-0.008. We also confirm earlier indications of a sizeable positive gluon polarization in the nucleon.

  12. The Precision Measurement of the Neutron Spin Structure Function Using Polarized HE-3 Target

    Energy Technology Data Exchange (ETDEWEB)

    Wang, X

    2004-01-05

    Using a 48.6 GeV polarized electron beam scattering off a polarized {sup 3}He target at Stanford Linear Accelerator Centre (SLAC), they measured the neutron spin structure function g{sub 1}{sup n} over kinematic(x) ranging 0.014 < x <0.7 and 1 < Q{sup 2} < 17GeV{sup 2}. The measurement gave the integral result over the neutron spin structure function {integral}{sub 0.014}{sup 0.7} g{sub 1}{sup n}(x)dx = -0.036 {+-} 0.004(stat) {+-} 0.005(syst) at an average Q{sup 2} = 5GeV{sup 2}. Along with the proton results from SLAC E143 experiment (0.03 < x) and SMC experiment (0.014 < x < 0.03), they find the Bjorken sum rule appears to be largely saturated by the data integrated down to x of 0.014. However, they observe relatively large values for g{sub 1}{sup n} at low x. The result calls into question the usual methods (Regge theory) for extrapolating to x = 0 to find the full neutron integral {integral}{sub 0}{sup t} g{sub 1}{sup n}(x) dx, needed for testing the Quark-Parton Model (QMP).

  13. Evolutionarily conserved sites in yeast tropomyosin function in cell polarity, transport and contractile ring formation

    Directory of Open Access Journals (Sweden)

    Susanne Cranz-Mileva

    2015-08-01

    Full Text Available Tropomyosin is a coiled-coil protein that binds and regulates actin filaments. The tropomyosin gene in Schizosaccharomyces pombe, cdc8, is required for formation of actin cables, contractile rings, and polar localization of actin patches. The roles of conserved residues were investigated in gene replacement mutants. The work validates an evolution-based approach to identify tropomyosin functions in living cells and sites of potential interactions with other proteins. A cdc8 mutant with near-normal actin affinity affects patch polarization and vacuole fusion, possibly by affecting Myo52p, a class V myosin, function. The presence of labile residual cell attachments suggests a delay in completion of cell division and redistribution of cell patches following cytokinesis. Another mutant with a mild phenotype is synthetic negative with GFP-fimbrin, inferring involvement of the mutated tropomyosin sites in interaction between the two proteins. Proteins that assemble in the contractile ring region before actin do so in a mutant cdc8 strain that cannot assemble condensed actin rings, yet some cells can divide. Of general significance, LifeAct-GFP negatively affects the actin cytoskeleton, indicating caution in its use as a biomarker for actin filaments.

  14. Group functioning of a collaborative family research team.

    Science.gov (United States)

    Johnson, S K; Halm, M A; Titler, M G; Craft, M; Kleiber, C; Montgomery, L A; Nicholson, A; Buckwalter, K; Cram, E

    1993-07-01

    Collaborative research teams are an attractive means of conducting nursing research in the clinical setting because of the many opportunities that collaboration can supply. These opportunities include a chance to: (1) network with other nurses who have similar interests, (2) share knowledge and expertise for designing clinical studies that directly affect daily practice, (3) develop instruments, (4) write grant proposals, (5) collect and analyze data, and (6) prepare manuscripts for publication. The effectiveness of research teams, however, is strongly influenced by group functioning. This article describes the functioning of a collaborative family interventions research team of nursing faculty members and CNSs at a large Midwestern university setting. The formation of the group and membership characteristics are described, along with strategies used to identify the research focus and individual and group goals. Aspects related to the influence of the group on members and the internal operations of the group are also addressed. Future strategies to be explored will focus on the size of the group and joint authorship issues. The authors also set forth a number of recommendations for development of collaborative research groups.

  15. Dominance Weighted Social Choice Functions for Group Recommendations

    Directory of Open Access Journals (Sweden)

    Silvia ROSSI

    2015-12-01

    Full Text Available In travel domains, decision support systems provide support to tourists in the planning of their vacation. In particular, when the number of possible Points of Interest (POI to visit is large, the system should help tourists providing recommendations on the POI that could be more interesting for them. Since traveling is, usually, an activity that involves small groups of people, the system should take simultaneously into account the preferences of each group's member. At the same time, it also should model possible intra-group relationships, which can have an impact in the group decision-making process. In this paper, we model this problem as a multi-agent aggregation of preferences by using weighted social choice functions, whereas such weights are automatically evaluated by analyzing the interactions of the group's members on Online Social Networks.

  16. Functional Groups Quantification of Chondritic Organics by XANES Spectroscopy

    Science.gov (United States)

    Le Guillou, C.; Bernard, S.

    2017-07-01

    We have developed a new method to quantify the functional group concentration of organics using STXM-XANES. Applied to IOM and in situ FIB sections measurement, it reveals a lower aromaticity than expected from previous NMR results (35% vs. 60%).

  17. Machine learning (ML)-guided OPC using basis functions of polar Fourier transform

    Science.gov (United States)

    Choi, Suhyeong; Shim, Seongbo; Shin, Youngsoo

    2016-03-01

    With shrinking feature size, runtime has become a limitation of model-based OPC (MB-OPC). A few machine learning-guided OPC (ML-OPC) have been studied as candidates for next-generation OPC, but they all employ too many parameters (e.g. local densities), which set their own limitations. We propose to use basis functions of polar Fourier transform (PFT) as parameters of ML-OPC. Since PFT functions are orthogonal each other and well reflect light phenomena, the number of parameters can significantly be reduced without loss of OPC accuracy. Experiments demonstrate that our new ML-OPC achieves 80% reduction in OPC time and 35% reduction in the error of predicted mask bias when compared to conventional ML-OPC.

  18. Effective coupling functions extracted from the scattering experiments with polarized protons at moderate energies

    International Nuclear Information System (INIS)

    Barut, A.O.; Anders, T.B.; Jachmann, W.

    1992-06-01

    The experimental data for the polarization asymmetries of pp-scattering available at the scattering angle θ = 90 deg. and at various moderate energies, as well as at E = 2.4434 GeV and various scattering angles are described by smooth phenomenological coupling functions for scalar, vector, tensor and the ''magnetic moment'' couplings as well as the corresponding parity conserving axial couplings. The analysis shows a predominant role of the ''axial magnetic moment'', the axial scalar, and the axial vector interactions. Moreover, the data contain oscillations of the type sin(qw 0 -π)/(qw 0 -π), where q is the square root of the energy-momentum transfer. The oscillations have amplitudes of 5%, and a constant frequency w o = 2π/0.88 m p . They arise from oscillating modulations up to 25% of the non-axial coupling functions. 8 refs, 21 figs, 4 tabs

  19. The polarization response function and the dielectric permittivity of a plasma

    International Nuclear Information System (INIS)

    Gnavi, G.; Gratton, F.

    1984-01-01

    We give a simple direct derivation of the polarization response function h for linear electrostatic excitations of a plasma (without magnetic field) considering the effect of a percussion on the electrons. The physical meaning of the procedure is discussed, thus bringing into light basic facts of the plasma dielectric behavior. The result h = ω 2 /sub p/ fo(x/t) (where f/sub o/ is the electron distribution function in velocity space and ω /sub p/ the plasma frequency) is obtained without passing through the Vlasov-Poisson equations as in the standard theory. We show that the equivalence between the present method and the classic Landau analysis rests on properties of the Fourier transform applied on velocity space

  20. Explicit polarization (X-Pol) potential using ab initio molecular orbital theory and density functional theory.

    Science.gov (United States)

    Song, Lingchun; Han, Jaebeom; Lin, Yen-lin; Xie, Wangshen; Gao, Jiali

    2009-10-29

    The explicit polarization (X-Pol) method has been examined using ab initio molecular orbital theory and density functional theory. The X-Pol potential was designed to provide a novel theoretical framework for developing next-generation force fields for biomolecular simulations. Importantly, the X-Pol potential is a general method, which can be employed with any level of electronic structure theory. The present study illustrates the implementation of the X-Pol method using ab initio Hartree-Fock theory and hybrid density functional theory. The computational results are illustrated by considering a set of bimolecular complexes of small organic molecules and ions with water. The computed interaction energies and hydrogen bond geometries are in good accord with CCSD(T) calculations and B3LYP/aug-cc-pVDZ optimizations.

  1. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu, E-mail: gycao@wipm.ac.cn

    2017-01-15

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  2. Work function mediated by deposition of ultrathin polar FeO on Pt(111)

    International Nuclear Information System (INIS)

    Lu, Shuangzan; Qin, Zhihui; Guo, Qinmin; Cao, Gengyu

    2017-01-01

    Highlights: • Growth of FeO layers on Pt(111) is found to consecutively reduce the work function of the system. • The electrostatic compression effect and the structural relaxation make major contributions to the reductions. • Significant rectifying effect observed in the FeO layer is induced by band alignment shift as work function changing. - Abstract: Significant work function changes from bare Pt(111) surface to 1 monolayer and 2 monolayers of ultrathin iron oxide (FeO) films on it are investigated by means of scanning tunneling microscopy/spectroscopy (STM/STS). With FeO layer-by-layer growth, a continuous reduction of the work function along with the surface vacuum level (VL) shifting is observed. We found that the compression of the electron spill-out at the metal-oxide interface and the substantial reconstruction of 2 ML FeO film, respectively, make major contributions to the first and the second reductions of the work function. The rectifying effect in FeO films is also observed, which is attributed to the downward shift of band alignment imposed by the total change in surface dipole. Our work shows that the polar oxide films play an important role to adjust surface electronic structures for enhancing device functionality.

  3. Direct quantification of negatively charged functional groups on membrane surfaces

    KAUST Repository

    Tiraferri, Alberto

    2012-02-01

    Surface charge plays an important role in membrane-based separations of particulates, macromolecules, and dissolved ionic species. In this study, we present two experimental methods to determine the concentration of negatively charged functional groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact with the membrane functional groups via complexation and electrostatic interaction, respectively, were used as probes. The amount of associated probes was quantified using liquid scintillation counting for uranium atoms and visible light spectroscopy for the toluidine blue dye. The techniques were validated using self-assembled monolayers of alkanethiols with known amounts of charged moieties. The surface density of negatively charged functional groups of hand-cast thin-film composite polyamide membranes, as well as commercial cellulose triacetate and polyamide membranes, was quantified under various conditions. Using both techniques, we measured a negatively charged functional group density of 20-30nm -2 for the hand-cast thin-film composite membranes. The ionization behavior of the membrane functional groups, determined from measurements with toluidine blue at varying pH, was consistent with published data for thin-film composite polyamide membranes. Similarly, the measured charge densities on commercial membranes were in general agreement with previous investigations. The relative simplicity of the two methods makes them a useful tool for quantifying the surface charge concentration of a variety of surfaces, including separation membranes. © 2011 Elsevier B.V.

  4. A minimalist functional group (MFG) approach for surrogate fuel formulation

    KAUST Repository

    Abdul Jameel, Abdul Gani; Naser, Nimal; Issayev, Gani; Touitou, Jamal; Ghosh, Manik Kumer; Emwas, Abdul-Hamid M.; Farooq, Aamir; Dooley, Stephen; Sarathy, Mani

    2018-01-01

    Surrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH, paraffinic CH, paraffinic CH, naphthenic CH–CH and aromatic C–CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation. Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions

  5. A minimalist functional group (MFG) approach for surrogate fuel formulation

    KAUST Repository

    Abdul Jameel, Abdul Gani

    2018-03-20

    Surrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH, paraffinic CH, paraffinic CH, naphthenic CH–CH and aromatic C–CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution H Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation. Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions

  6. Polarization-induced local pore-wall functionalization for biosensing: from micropore to nanopore.

    Science.gov (United States)

    Liu, Jie; Pham, Pascale; Haguet, Vincent; Sauter-Starace, Fabien; Leroy, Loïc; Roget, André; Descamps, Emeline; Bouchet, Aurélie; Buhot, Arnaud; Mailley, Pascal; Livache, Thierry

    2012-04-03

    The use of biological-probe-modified solid-state pores in biosensing is currently hindered by difficulties in pore-wall functionalization. The surface to be functionalized is small and difficult to target and is usually chemically similar to the bulk membrane. Herein, we demonstrate the contactless electrofunctionalization (CLEF) approach and its mechanism. This technique enables the one-step local functionalization of the single pore wall fabricated in a silica-covered silicon membrane. CLEF is induced by polarization of the pore membrane in an electric field and requires a sandwich-like composition and a conducting or semiconducting core for the pore membrane. The defects in the silica layer of the micropore wall enable the creation of an electric pathway through the silica layer, which allows electrochemical reactions to take place locally on the pore wall. The pore diameter is not a limiting factor for local wall modification using CLEF. Nanopores with a diameter of 200 nm fabricated in a silicon membrane and covered with native silica layer have been successfully functionalized with this method, and localized pore-wall modification was obtained. Furthermore, through proof-of-concept experiments using ODN-modified nanopores, we show that functionalized nanopores are suitable for translocation-based biosensing.

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

    Science.gov (United States)

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

    2018-01-01

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

  8. Evolution of Functional Groups during Pyrolysis Oil Upgrading

    Energy Technology Data Exchange (ETDEWEB)

    Stankovikj, Filip [Department; Tran, Chi-Cong [Department; Kaliaguine, Serge [Department; Olarte, Mariefel V. [Pacific Northwest National Laboratory, Richland, Washington 99354, United States; Garcia-Perez, Manuel [Department

    2017-07-14

    In this paper, we examine the evolution of functional groups (carbonyl, carboxyl, phenol, and hydroxyl) during stabilization at 100–200 °C of two typical wood derived pyrolysis oils from BTG and Amaron in a batch reactor over Ru/C catalyst for 4h. An aqueous and an oily phase were obtained. The content of functional groups in both phases were analyzed by GC/MS, 31P-NMR, 1H-NMR, elemental analysis, KF titration, carbonyl groups by Faix, Folin – Ciocalteu method and UV-Fluorescence. The consumption of hydrogen was between 0.007 and 0.016 g/g oil, and 0.001-0.020 g of CH4/g of oil, 0.005-0.016 g of CO2/g oil and 0.03-0.10 g H2O/g oil were formed. The content of carbonyl, hydroxyl, and carboxyl groups in the volatile GC-MS detectable fraction decreased (80, 65, and ~70% respectively), while their behavior in the total oil and hence in the non-volatile fraction was more complex. The carbonyl groups initially decreased having minimum at ~125-150°C and then increased, while the hydroxyl groups had reversed trend. This might be explained by initial hydrogenation of the carbonyl groups to form hydroxyls, followed by continued dehydration reactions at higher temperatures that may increase their content. The 31P-NMR was on the limit of its sensitivity for the carboxylic groups to precisely detect changes in the non-volatile fraction, however the more precise titration method showed that the concentration of carboxylic groups in the non-volatile fraction remains constant with increased stabilization temperature. The UV-Fluorescence results show that repolymerization increases with temperature. ATR-FTIR method coupled with deconvolution of the region between 1490 and 1850 cm-1 showed to be a good tool for following the changes in carbonyl groups and phenols of the stabilized pyrolysis oils. The deconvolution of the IR bands around 1050 and 1260 cm-1 correlated very well with the changes in the 31P-NMR silent O groups (likely ethers). Most of the H2O formation could be

  9. Functional renormalization group approach to the two dimensional Bose gas

    Energy Technology Data Exchange (ETDEWEB)

    Sinner, A; Kopietz, P [Institut fuer Theoretische Physik, Universitaet Frankfurt, Max-von-Laue Strasse 1, 60438 Frankfurt (Germany); Hasselmann, N [International Center for Condensed Matter Physics, Universidade de BrasIlia, Caixa Postal 04667, 70910-900 BrasIlia, DF (Brazil)], E-mail: hasselma@itp.uni-frankfurt.de, E-mail: sinner@itp.uni-frankfurt.de

    2009-02-01

    We investigate the small frequency and momentum structure of the weakly interacting Bose gas in two dimensions using a functional renormalization group approach. The flow equations are derived within a derivative approximation of the effective action up to second order in spatial and temporal variables and investigated numerically. The truncation we employ is based on the perturbative structure of the theory and is well described as a renormalization group enhanced perturbation theory. It allows to calculate corrections to the Bogoliubov spectrum and to investigate the damping of quasiparticles. Our approach allows to circumvent the divergences which plague the usual perturbative approach.

  10. Model parameters for representative wetland plant functional groups

    Science.gov (United States)

    Williams, Amber S.; Kiniry, James R.; Mushet, David M.; Smith, Loren M.; McMurry, Scott T.; Attebury, Kelly; Lang, Megan; McCarty, Gregory W.; Shaffer, Jill A.; Effland, William R.; Johnson, Mari-Vaughn V.

    2017-01-01

    Wetlands provide a wide variety of ecosystem services including water quality remediation, biodiversity refugia, groundwater recharge, and floodwater storage. Realistic estimation of ecosystem service benefits associated with wetlands requires reasonable simulation of the hydrology of each site and realistic simulation of the upland and wetland plant growth cycles. Objectives of this study were to quantify leaf area index (LAI), light extinction coefficient (k), and plant nitrogen (N), phosphorus (P), and potassium (K) concentrations in natural stands of representative plant species for some major plant functional groups in the United States. Functional groups in this study were based on these parameters and plant growth types to enable process-based modeling. We collected data at four locations representing some of the main wetland regions of the United States. At each site, we collected on-the-ground measurements of fraction of light intercepted, LAI, and dry matter within the 2013–2015 growing seasons. Maximum LAI and k variables showed noticeable variations among sites and years, while overall averages and functional group averages give useful estimates for multisite simulation modeling. Variation within each species gives an indication of what can be expected in such natural ecosystems. For P and K, the concentrations from highest to lowest were spikerush (Eleocharis macrostachya), reed canary grass (Phalaris arundinacea), smartweed (Polygonum spp.), cattail (Typha spp.), and hardstem bulrush (Schoenoplectus acutus). Spikerush had the highest N concentration, followed by smartweed, bulrush, reed canary grass, and then cattail. These parameters will be useful for the actual wetland species measured and for the wetland plant functional groups they represent. These parameters and the associated process-based models offer promise as valuable tools for evaluating environmental benefits of wetlands and for evaluating impacts of various agronomic practices in

  11. Evaluation of spectral zeta-functions with the renormalization group

    International Nuclear Information System (INIS)

    Boettcher, Stefan; Li, Shanshan

    2017-01-01

    We evaluate spectral zeta-functions of certain network Laplacians that can be treated exactly with the renormalization group. As specific examples we consider a class of Hanoi networks and those hierarchical networks obtained by the Migdal–Kadanoff bond moving scheme from regular lattices. As possible applications of these results we mention quantum search algorithms as well as synchronization, which we discuss in more detail. (paper)

  12. Disordered systems and the functional renormalization group, a pedagogical introduction

    International Nuclear Information System (INIS)

    Wiese, K.J.

    2002-01-01

    In this article, we review basic facts about disordered systems, especially the existence of many metastable states and and the resulting failure of dimensional reduction. Besides techniques based on the Gaussian variational method and replica-symmetry breaking (RSB), the functional renormalization group (FRG) is the only general method capable of attacking strongly disordered systems. We explain the basic ideas of the latter method and why it is difficult to implement. We finally review current progress for elastic manifolds in disorder (Author)

  13. Nonthermal fixed points and the functional renormalization group

    International Nuclear Information System (INIS)

    Berges, Juergen; Hoffmeister, Gabriele

    2009-01-01

    Nonthermal fixed points represent basic properties of quantum field theories, in addition to vacuum or thermal equilibrium fixed points. The functional renormalization group on a closed real-time path provides a common framework for their description. For the example of an O(N) symmetric scalar theory it reveals a hierarchy of fixed point solutions, with increasing complexity from vacuum and thermal equilibrium to nonequilibrium

  14. Wetting transitions: A functional renormalization-group approach

    International Nuclear Information System (INIS)

    Fisher, D.S.; Huse, D.A.

    1985-01-01

    A linear functional renormalization group is introduced as a framework in which to treat various wetting transitions of films on substrates. A unified treatment of the wetting transition in three dimensions with short-range interactions is given. The results of Brezin, Halperin, and Leibler in their three different regimes are reproduced along with new results on the multicritical behavior connecting the various regimes. In addition, the critical behavior as the coexistence curve is approached at complete wetting is analyzed. Wetting in the presence of long-range substrate-film interactions that fall off as power laws is also studied. The possible effects of the nonlinear terms in the renormalization group are examined briefly and it appears that they do not alter the critical behavior found using the truncated linear renormalization group

  15. Morphological and functional diversity of primary producers group in savannas

    International Nuclear Information System (INIS)

    Medina, E.

    1996-01-01

    The meaning of biological diversity for the operation and stability of natural ecosystems is matter of great theoretical and practical interest. The appearance and permanency of species in a given atmosphere indicates its capacity to compete with other species with similar habit and requirements, and to accumulate the resources that allow its reproduction. On the other hand, the coexistence of similar species in the same ecosystem allows to wonder if ever biological redundancy exists, that is to say, if several species coexist with the same function inside the ecosystem, so that the disappearance of one of them would not have biological significant consequences. A strategy to simplify the analysis of relationships between biodiversity and ecosystems operation is by grouping species with similar function, called functional groups. In this work the the primary producers functional group is analyzed, essentially superiors plants, in a savannas ecosystems. The analysis establishes that the gives the primary producers group is heterogeneous and complex, so much morphological as functionally: 1) the structural complexity and diversity forms of life in an savannas ecosystem are associated with the stratified exploitation of resources over (light) and under the floor (nourishment and water). Changes in diversity that affect the system structure will probably also affect its operations. 2 )Very similar morphological species can differ physiologically up to constitute production units with contrasting nutritional requirements. The echo-physiologic analysis of this differentiation can explain the habitat preferences that are naturally observed. 3) The long-time permanency of rare species, of low frequency, show the inability of dominant species to capture all the available resources. 4) The primary producers and the floor microorganisms have strong interactions. Changes in the community composition can generate significant changes in other community. These biotic interactions

  16. Surface functional groups in capacitive deionization with porous carbon electrodes

    Science.gov (United States)

    Hemmatifar, Ali; Oyarzun, Diego I.; Palko, James W.; Hawks, Steven A.; Stadermann, Michael; Santiago, Juan G.; Stanford Microfluidics Lab Team; Lawrence Livermore National Lab Team

    2017-11-01

    Capacitive deionization (CDI) is a promising technology for removal of toxic ions and salt from water. In CDI, an applied potential of about 1 V to pairs of porous electrodes (e.g. activated carbon) induces ion electromigration and electrostatic adsorption at electrode surfaces. Immobile surface functional groups play a critical role in the type and capacity of ion adsorption, and this can dramatically change desalination performance. We here use models and experiments to study weak electrolyte surface groups which protonate and/or depropotante based on their acid/base dissociation constants and local pore pH. Net chemical surface charge and differential capacitance can thus vary during CDI operation. In this work, we present a CDI model based on weak electrolyte acid/base equilibria theory. Our model incorporates preferential cation (anion) adsorption for activated carbon with acidic (basic) surface groups. We validated our model with experiments on custom built CDI cells with a variety of functionalizations. To this end, we varied electrolyte pH and measured adsorption of individual anionic and cationic ions using inductively coupled plasma mass spectrometry (ICP-MS) and ion chromatography (IC) techniques. Our model shows good agreement with experiments and provides a framework useful in the design of CDI control schemes.

  17. Group B streptococcal beta-hemolysin/cytolysin directly impairs cardiomyocyte viability and function.

    Directory of Open Access Journals (Sweden)

    Mary E Hensler

    Full Text Available BACKGROUND: Group B Streptococcus (GBS is a leading cause of neonatal sepsis where myocardial dysfunction is an important contributor to poor outcome. Here we study the effects of the GBS pore-forming beta-hemolysin/cytolysin (Bh/c exotoxin on cardiomyocyte viability, contractility, and calcium transients. METHODOLOGY/PRINCIPAL FINDINGS: HL-1 cardiomyocytes exposed to intact wild-type (WT or isogenic Deltabeta h/c mutant GBS, or to cell-free extracts from either strain, were assessed for viability by trypan blue exclusion and for apoptosis by TUNEL staining. Functionality of exposed cardiomyocytes was analyzed by visual quantitation of the rate and extent of contractility. Mitochondrial membrane polarization was measured in TMRE-loaded cells exposed to GBS beta h/c. Effects of GBS beta h/c on calcium transients were studied in fura-2AM-loaded primary rat ventricular cardiomyocytes. Exposure of HL-1 cardiomyocytes to either WT GBS or beta h/c extracts significantly reduced both rate and extent of contractility and later induced necrotic and apoptotic cell death. No effects on cardiomyocyte viability or function were observed after treatment with Deltabeta h/c mutant bacteria or extracts. The beta h/c toxin was associated with complete and rapid loss of detectable calcium transients in primary neonatal rat ventricular cardiomyocytes and induced a loss of mitochondrial membrane polarization. These effects on viability and function were abrogated by the beta h/c inhibitor, dipalmitoyl phosphatidylcholine (DPPC. CONCLUSIONS/SIGNIFICANCE: Our data show a rapid loss of cardiomyocyte viability and function induced by GBS beta h/c, and these deleterious effects are inhibited by DPPC, a normal constituent of human pulmonary surfactant.. These findings have clinical implications for the cardiac dysfunction observed in neonatal GBS infections.

  18. Optical anisotropy of polyimide and polymethacrylate containing photocrosslinkable chalcone group in the side chain under irradiation of a linearly polarized UV light

    CERN Document Server

    Choi, D H

    2002-01-01

    Photocrosslinkable soluble polyimide and polymethacrylate compound were synthesized for studying the optically induced anisotropy of the thin films. Chalcone group was introduced into the side chain unit of two polymers. We observed a photodimerization behavior between the double bonds in the chalcone group and an optical anisotropy of these materials by irradiation of a linearly polarized UV light (LPL). Optical anisotropy of the thin film was also investigated by using polarized UV absorption spectroscopy.The dynamic property of optical anisotropy in photoreactive polyimide was compared to that in polymethacrylate containing chalcone group in the side chain.

  19. DNA-functionalized gold nanoparticle-based fluorescence polarization for the sensitive detection of silver ions.

    Science.gov (United States)

    Wang, Gongke; Wang, Shuangli; Yan, Changling; Bai, Guangyue; Liu, Yufang

    2018-04-05

    Despite their practical applications, Ag + ions are environmental pollutants and affect human health. So the effective detection methods of Ag + ions are imperative. Herein, we developed a simple, sensitive, selective, and cost-effective fluorescence polarization sensor for Ag + detection in aqueous solution using thiol-DNA-functionalized gold nanoparticles (AuNPs). In this sensing strategy, Ag + ions can specifically interact with a cytosine-cytosine (CC) mismatch in DNA duplexes and form stable metal-mediated cytosine-Ag + -cytosine (C-Ag + -C) base pairs. The formation of the C-Ag + -C complex results in evident changes in the molecular volume and fluorescence polarization signal. To achieve our aims, we prepared two complementary DNA strands containing C-base mismatches (probe A: 5'-SH-A 10 -TACCACTCCTCAC-3' and probe B: 5'-TCCTCACCAGTCCTA-FAM-3'). The stable hybridization between probe A and probe B occurs with the formation of the C-Ag + -C complex in the presence of Ag + ions, leading to obvious fluorescence quenching in comparison to the system without AuNP enhancement. The assay can be used to identify nanomolar levels of Ag + within 6 min at room temperature, and has extremely high specificity for Ag + , even in the presence of higher concentrations of interfering metal ions. Furthermore, the sensor was successfully applied to the detection of Ag + ions in environmental water samples and showed excellent selectivity and high sensitivity, implying its promising application in the future. Copyright © 2018 Elsevier B.V. All rights reserved.

  20. Functional assessment of sodium chloride cotransporter NCC mutants in polarized mammalian epithelial cells.

    Science.gov (United States)

    Rosenbaek, Lena L; Rizzo, Federica; MacAulay, Nanna; Staub, Olivier; Fenton, Robert A

    2017-08-01

    The thiazide-sensitive sodium chloride cotransporter NCC is important for maintaining serum sodium (Na + ) and, indirectly, serum potassium (K + ) levels. Functional studies on NCC have used cell lines with native NCC expression, transiently transfected nonpolarized cell lines, or Xenopus laevis oocytes. Here, we developed the use of polarized Madin-Darby canine kidney type I (MDCKI) mammalian epithelial cell lines with tetracycline-inducible human NCC expression to study NCC activity and membrane abundance in the same system. In radiotracer assays, induced cells grown on filters had robust thiazide-sensitive and chloride dependent sodium-22 ( 22 Na) uptake from the apical side. To minimize cost and maximize throughput, assays were modified to use cells grown on plastic. On plastic, cells had similar thiazide-sensitive 22 Na uptakes that increased following preincubation of cells in chloride-free solutions. NCC was detected in the plasma membrane, and both membrane abundance and phosphorylation of NCC were increased by incubation in chloride-free solutions. Furthermore, in cells exposed for 15 min to low or high extracellular K + , the levels of phosphorylated NCC increased and decreased, respectively. To demonstrate that the system allows rapid and systematic assessment of mutated NCC, three phosphorylation sites in NCC were mutated, and NCC activity was examined. 22 Na fluxes in phosphorylation-deficient mutants were reduced to baseline levels, whereas phosphorylation-mimicking mutants were constitutively active, even without chloride-free stimulation. In conclusion, this system allows the activity, cellular localization, and abundance of wild-type or mutant NCC to be examined in the same polarized mammalian expression system in a rapid, easy, and low-cost fashion. Copyright © 2017 the American Physiological Society.

  1. Impedance function of a group of vertical piles

    International Nuclear Information System (INIS)

    Wolf, J.P.; Arx, G.A. von

    1978-01-01

    Impedance and transfer functions of a group of vertical piles located in any desired configuration in plan in a horizontally stratified soil layer are derived. Hysteretic and radiation damping are accounted for. The method separates the piles and the soil, introducing unknown interaction forces. The total flexibility matrix of the soil is constructed, superposing the (complex) flexibility coefficients caused by the interaction forces of a single pile only. The dependence of the impedance and transfer functions on the oscllating frequency for foundations with different numbers of piles is investigated. Pile-soil-pile interaction is shown to be very important for all modes of vibration. The procedure is used in the seismic analysis of a reactor building. (Author)

  2. Report on Workshop "Planning of Future Science in the Polar Ocean Study with Cooperation among Study Groups"

    Directory of Open Access Journals (Sweden)

    Mitsuo Fukuchi

    2001-03-01

    Full Text Available A workshop on "Planning of Future Science in the Polar Ocean Study with Cooperation among Study Groups" was held on November 1,2000,at the National Institute of Polar Research with 21 participants. In this workshop, a plan to charter a research vessel other than "Shirase" was introduced and a science plan using the chartered research vessel by 43rd Japanese Antarctic Research Expedition was discussed. This study is going to be conducted in the sea ice area around 140-150°E in mid-summer (February 2002, when biological production becomes active in the Antarctic Ocean. Oceanographic observations using "Shirase" are difficult to conduct in this season since she supports a wide range of summer operations around Syowa Station. The relationships between biological production and greenhouse effect gas production and the vertical transport of organic materials from the surface to deep ocean will be the focus of this study. At this stage, one deputy leader and three members of JARE, and 25-26 other scientists including graduate students and foreign scientists, will participate in the field observations using the chartered vessel. The members of JARE will conduct a project science program of the VI Phase of JARE, while the other participants will do part of the science program "Antarctic Ocean in Earth System". Since further observations for several years after the summer of 2002 will be required to understand the role of the Antarctic Ocean in global climate change, we have applied for a Grant-in-Aid for Scientific Research for the next project, which will start from 2001,to the Ministry of Education, Science, Sports and Culture of Japan. The proposal was discussed in detail in this workshop.

  3. A polarization independent electromagnetically induced transparency-like metamaterial with large group delay and delay-bandwidth product

    Science.gov (United States)

    Bagci, Fulya; Akaoglu, Baris

    2018-05-01

    In this study, a classical analogue of electromagnetically induced transparency (EIT) that is completely independent of the polarization direction of the incident waves is numerically and experimentally demonstrated. The unit cell of the employed planar symmetric metamaterial structure consists of one square ring resonator and four split ring resonators (SRRs). Two different designs are implemented in order to achieve a narrow-band and wide-band EIT-like response. In the unit cell design, a square ring resonator is shown to serve as a bright resonator, whereas the SRRs behave as a quasi-dark resonator, for the narrow-band (0.55 GHz full-width at half-maximum bandwidth around 5 GHz) and wide-band (1.35 GHz full-width at half-maximum bandwidth around 5.7 GHz) EIT-like metamaterials. The observed EIT-like transmission phenomenon is theoretically explained by a coupled-oscillator model. Within the transmission window, steep changes of the phase result in high group delays and the delay-bandwidth products reach 0.45 for the wide-band EIT-like metamaterial. Furthermore, it has been demonstrated that the bandwidth and group delay of the EIT-like band can be controlled by changing the incidence angle of electromagnetic waves. These features enable the proposed metamaterials to achieve potential applications in filtering, switching, data storing, and sensing.

  4. Paleomagnetism of the Santa Fé Group, central Brazil: Implications for the late Paleozoic apparent polar wander path for South America

    Science.gov (United States)

    Brandt, Daniele; Ernesto, Marcia; Rocha-Campos, Antonio Carlos; Dos Santos, Paulo Roberto

    2009-02-01

    Paleomagnetic and rockmagnetic data are reported for the Floresta Formation (Santa Fé Group) of the Sanfranciscana Basin, central Brazil. This formation represents the Permo-Carboniferous glacial record of the basin and comprises the Brocotó (diamictites and flow diamictites), Brejo do Arroz (red sandstones and shales with dropstones and invertebrate trails), and Lavado (red sandstones) members, which crop out near the cities of Santa Fé de Minas and Canabrava, Minas Gerais State. Both Brejo do Arroz and Lavado members were sampled in the vicinities of the two localities. Alternating field and thermal demagnetizations of 268 samples from 76 sites revealed reversed components of magnetization in all samples in accordance with the Permo-Carboniferous Reversed Superchron. The magnetic carriers are magnetite and hematite with both minerals exhibiting the same magnetization component, suggesting a primary origin for the remanence. We use the high-quality paleomagnetic pole for the Santa Fé Group (330.9°E 65.7°S; N = 60; α95 = 4.1°; k = 21) in a revised late Carboniferous to early Triassic apparent polar wander path for South America. On the basis of this result it is shown that an early Permian Pangea A-type fit is possible if better determined paleomagnetic poles become available.

  5. Evaluation of group electronegativities and hardness (softness) of group 14 elements and containing functional groups through density functional theory and correlation with NMR spectra data

    International Nuclear Information System (INIS)

    Vivas-Reyes, R.; Aria, A.

    2008-01-01

    Quantum Chemical calculations for group 14 elements of Periodic Table (C, Si, Ge, Sn, Pb) and their functional groups have been carried out using Density Functional Theory (DFT) based reactivity descriptors such as group electronegativities, hardness and softness. DFT calculations were performed for a large series of tetra coordinated Sn compounds of the CH 3 SnRR'X type, where X is a halogen and R and R' are alkyl, halogenated alkyl, alkoxy, or alkyl thio groups. The results were interpreted in terms of calculated electronegativity and hardness of the SnRR'X groups, applying a methodology previously developed by Geerlings and coworkers (J. Phys. Chem. 1993, 97, 1826). These calculations allowed to see the regularities concerning the influence of the nature of organic groups RR' and inorganic group X on electronegativities and hardness of the SnRR'X groups; in this case, it was found a very good correlation between the electronegativity of the fragment and experimental 119 Sn chemical shifts, a property that sensitively reflects the change in the valence electronic structure of molecules. This work was complemented with the study of some compounds of the EX and ER types, where E= C, Si, Ge, Sn and R= CH 3 , H, which was performed to study the influence that the central atom has on the electronegativity and hardness of molecules, or whether these properties are mainly affected for the type of ligand bound to the central atom. All these calculations were performed using the B3PW91 functional together with the 6-3 1 1 + + G basis set level for H, C, Si, Ge, F, Cl and Br atoms and the 3-21G for Sn and I atoms. (author)

  6. Evaluation of group electronegativities and hardness (softness) of group 14 elements and containing functional groups through density functional theory and correlation with NMR spectra data

    Energy Technology Data Exchange (ETDEWEB)

    Vivas-Reyes, R.; Aria, A. [Universidad de Cartagena, Cartagena (Colombia). Facultad de Ciencias Naturales y Exactas. Grupo de Quimica Cuantica y Computacional]. E-mail: rvivasr@unicartagena.edu.co

    2008-07-01

    Quantum Chemical calculations for group 14 elements of Periodic Table (C, Si, Ge, Sn, Pb) and their functional groups have been carried out using Density Functional Theory (DFT) based reactivity descriptors such as group electronegativities, hardness and softness. DFT calculations were performed for a large series of tetra coordinated Sn compounds of the CH{sub 3}SnRR'X type, where X is a halogen and R and R' are alkyl, halogenated alkyl, alkoxy, or alkyl thio groups. The results were interpreted in terms of calculated electronegativity and hardness of the SnRR'X groups, applying a methodology previously developed by Geerlings and coworkers (J. Phys. Chem. 1993, 97, 1826). These calculations allowed to see the regularities concerning the influence of the nature of organic groups RR' and inorganic group X on electronegativities and hardness of the SnRR'X groups; in this case, it was found a very good correlation between the electronegativity of the fragment and experimental {sup 119}Sn chemical shifts, a property that sensitively reflects the change in the valence electronic structure of molecules. This work was complemented with the study of some compounds of the EX and ER types, where E= C, Si, Ge, Sn and R= CH{sub 3}, H, which was performed to study the influence that the central atom has on the electronegativity and hardness of molecules, or whether these properties are mainly affected for the type of ligand bound to the central atom. All these calculations were performed using the B3PW91 functional together with the 6-3 1 1 + + G basis set level for H, C, Si, Ge, F, Cl and Br atoms and the 3-21G for Sn and I atoms. (author)

  7. 1,3-Disubstituted Ureas Functionalized with Ether Groups are Potent Inhibitors of the Soluble Epoxide Hydrolase with Improved Pharmacokinetic Properties

    OpenAIRE

    Kim, In-Hae; Tsai, Hsing-Ju; Nishi, Kosuke; Kasagami, Takeo; Morisseau, Christophe; Hammock, Bruce D.

    2007-01-01

    Soluble epoxide hydrolase (sEH) is a therapeutic target for treating hypertension and inflammation. 1,3-Disubstituted ureas functionalized with an ether group are potent sEH inhibitors. However, their relatively low metabolic stability leads to poor pharmacokinetic properties. To improve their bioavailability, we investigated the effect of incorporating various polar groups on the ether function on the inhibition potencies, physical properties, in vitro metabolic stability, and pharmacokineti...

  8. An -OH group functionalized MOF for ratiometric Fe3+ sensing

    Science.gov (United States)

    Xu, Hui; Dong, Yingying; Wu, Yuhang; Ren, Wenjing; Zhao, Tao; Wang, Shunli; Gao, Junkuo

    2018-02-01

    Iron is one of the most important elements in the biochemical processes in all living system, both deficiency or excess of iron will lead to metabolism disorder diseases. However, Fe3+ is one of the most efficient fluorescence quenchers among the transition-metal ions because of its paramagnetic nature. The realization of Fe3+ ratiometric and self-calibrated fluorescent sensor is highly-challenging. We synthesized a novel luminescent -OH functionalized EuOHBDC (Eu2(OH-BDC)3, OH-BDC=2-hydroxyterephthalic acid) by hydrothermal reaction and in situ ligand synthesis, and used it as a rare ratiomatric luminescent sensor for Fe3+ ions. The -OH functional group facilitates both electron transfer and binding interaction between EuOHBDC and Fe3+, which lead to luminescent quenching of ligand-based emission while enhancement of a new peak emission, and thus enables ratiometric detection of Fe3+. The relative fluorescent intensity ratio (I375/I427) increased linearly with increasing Fe3+ concentration in the 10-50 μM range with 1.17 μM (65 ppb) detection limit. The EuOHBDC also shows excellent selectivity towards different metal ions, particularly can discriminate Fe3+ and Fe2+ through different luminescent responses. This result clearly demonstrates the superiority of -OH functionalized MOF for Fe3+ detection, which can contribute to develop high performance luminescent probe for detection of metal ions in environmental and biomedical applications.

  9. Adler-Bardeen Theorem for the Axial Anomaly and the First Moment of the Polarized Virtual Photon Structure Function

    International Nuclear Information System (INIS)

    Ueda, Takahiro; Sasaki, Ken; Uematsu, Tsuneo

    2007-01-01

    The Adler-Bardeen theorem for the axial anomaly is extensively used to calculate the next-to-next-to-leading order (αα s 2 ) corrections to the first moment of the polarized virtual photon structure function g 1 γ (x,P 2 ,Q 2 )

  10. Head kidney-derived macrophages of common carp (Cyprinus carpio L.) show plasticity and functional polarization upon differential stimulation

    NARCIS (Netherlands)

    Joerink, Maaike; Ribeiro, Carla M. S.; Stet, René J. M.; Hermsen, Trudi; Savelkoul, Huub F. J.; Wiegertjes, Geert F.

    2006-01-01

    Cells from the myeloid lineage are pluripotent. To investigate the potential of myeloid cell polarization in a primitive vertebrate species, we phenotypically and functionally characterized myeloid cells of common carp (Cyprinus carpio L.) during culture. Flow cytometric analysis, Ab labeling of

  11. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms.

    Science.gov (United States)

    Yu, Haoyu; Truhlar, Donald G

    2015-07-14

    Although many transition metal complexes are known to have high multireference character, the multireference character of main-group closed-shell singlet diatomic molecules like BeF, CaO, and MgO has been less studied. However, many group-1 and group-2 diatomic molecules do have multireference character, and they provide informative systems for studying multireference character because they are simpler than transition metal compounds. The goal of the present work is to understand these multireference systems better so that, ultimately, we can apply what we learn to more complicated multireference systems and to the design of new exchange-correlation functionals for treating multireference systems more adequately. Fourteen main-group diatomic molecules and one triatomic molecule (including radicals, cations, and anions, as well as neutral closed-shell species) have been studied for this article. Eight of these molecules contain a group-1 element, and six contain a group-2 element. Seven of these molecules are multireference systems, and eight of them are single-reference systems. Fifty-three exchange-correlation functionals of 11 types [local spin-density approximation (LSDA), generalized gradient approximation (GGA), nonseparable gradient approximation (NGA), global-hybrid GGA, meta-GGA, meta-NGA, global-hybrid meta GGA, range-separated hybrid GGA, range-separated hybrid meta-GGA, range-separated hybrid meta-NGA, and DFT augmented with molecular mechanics damped dispersion (DFT-D)] and the Hartree-Fock method have been applied to calculate the bond distance, bond dissociation energy (BDE), and dipole moment of these molecules. All of the calculations are converged to a stable solution by allowing the symmetry of the Slater determinant to be broken. A reliable functional should not only predict an accurate BDE but also predict accurate components of the BDE, so each bond dissociation energy has been decomposed into ionization potential (IP) of the electropositive

  12. Classifying lipoproteins based on their polar profiles.

    Science.gov (United States)

    Polanco, Carlos; Castañón-González, Jorge Alberto; Buhse, Thomas; Uversky, Vladimir N; Amkie, Rafael Zonana

    2016-01-01

    The lipoproteins are an important group of cargo proteins known for their unique capability to transport lipids. By applying the Polarity index algorithm, which has a metric that only considers the polar profile of the linear sequences of the lipoprotein group, we obtained an analytical and structural differentiation of all the lipoproteins found in UniProt Database. Also, the functional groups of lipoproteins, and particularly of the set of lipoproteins relevant to atherosclerosis, were analyzed with the same method to reveal their structural preference, and the results of Polarity index analysis were verified by an alternate test, the Cumulative Distribution Function algorithm, applied to the same groups of lipoproteins.

  13. Functional and phenotypic heterogeneity of group 3 innate lymphoid cells.

    Science.gov (United States)

    Melo-Gonzalez, Felipe; Hepworth, Matthew R

    2017-03-01

    Group 3 innate lymphoid cells (ILC3), defined by expression of the transcription factor retinoid-related orphan receptor γt, play key roles in the regulation of inflammation and immunity in the gastrointestinal tract and associated lymphoid tissues. ILC3 consist largely of two major subsets, NCR + ILC3 and LTi-like ILC3, but also demonstrate significant plasticity and heterogeneity. Recent advances have begun to dissect the relationship between ILC3 subsets and to define distinct functional states within the intestinal tissue microenvironment. In this review we discuss the ever-expanding roles of ILC3 in the context of intestinal homeostasis, infection and inflammation - with a focus on comparing and contrasting the relative contributions of ILC3 subsets. © 2016 The Authors. Immunology published by John Wiley & Sons Ltd.

  14. Functional renormalization group study of the Anderson–Holstein model

    International Nuclear Information System (INIS)

    Laakso, M A; Kennes, D M; Jakobs, S G; Meden, V

    2014-01-01

    We present a comprehensive study of the spectral and transport properties in the Anderson–Holstein model both in and out of equilibrium using the functional renormalization group (fRG). We show how the previously established machinery of Matsubara and Keldysh fRG can be extended to include the local phonon mode. Based on the analysis of spectral properties in equilibrium we identify different regimes depending on the strength of the electron–phonon interaction and the frequency of the phonon mode. We supplement these considerations with analytical results from the Kondo model. We also calculate the nonlinear differential conductance through the Anderson–Holstein quantum dot and find clear signatures of the presence of the phonon mode. (paper)

  15. Fermi-edge singularity and the functional renormalization group

    Science.gov (United States)

    Kugler, Fabian B.; von Delft, Jan

    2018-05-01

    We study the Fermi-edge singularity, describing the response of a degenerate electron system to optical excitation, in the framework of the functional renormalization group (fRG). Results for the (interband) particle-hole susceptibility from various implementations of fRG (one- and two-particle-irreducible, multi-channel Hubbard–Stratonovich, flowing susceptibility) are compared to the summation of all leading logarithmic (log) diagrams, achieved by a (first-order) solution of the parquet equations. For the (zero-dimensional) special case of the x-ray-edge singularity, we show that the leading log formula can be analytically reproduced in a consistent way from a truncated, one-loop fRG flow. However, reviewing the underlying diagrammatic structure, we show that this derivation relies on fortuitous partial cancellations special to the form of and accuracy applied to the x-ray-edge singularity and does not generalize.

  16. Functional renormalisation group equations for supersymmetric field theories

    Energy Technology Data Exchange (ETDEWEB)

    Synatschke-Czerwonka, Franziska

    2011-01-11

    This work is organised as follows: In chapter 2 the basic facts of quantum field theory are collected and the functional renormalisation group equations are derived. Chapter 3 gives a short introduction to the main concepts of supersymmetry that are used in the subsequent chapters. In chapter 4 the functional RG is employed for a study of supersymmetric quantum mechanics, a supersymmetric model which are studied intensively in the literature. A lot of results have previously been obtained with different methods and we compare these to the ones from the FRG. We investigate the N=1 Wess-Zumino model in two dimensions in chapter 5. This model shows spontaneous supersymmetry breaking and an interesting fixed-point structure. Chapter 6 deals with the three dimensional N=1 Wess-Zumino model. Here we discuss the zero temperature case as well as the behaviour at finite temperature. Moreover, this model shows spontaneous supersymmetry breaking, too. In chapter 7 the two-dimensional N=(2,2) Wess-Zumino model is investigated. For the superpotential a non-renormalisation theorem holds and thus guarantees that the model is finite. This allows for a direct comparison with results from lattice simulations. (orig.)

  17. Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.

    Science.gov (United States)

    Grover, Prerna; Shi, Haibin; Baumgartner, Matthew; Camacho, Carlos J; Smithgall, Thomas E

    2015-01-01

    The ABL protein-tyrosine kinase regulates intracellular signaling pathways controlling diverse cellular processes and contributes to several forms of cancer. The kinase activity of ABL is repressed by intramolecular interactions involving its regulatory Ncap, SH3 and SH2 domains. Small molecules that allosterically regulate ABL kinase activity through its non-catalytic domains may represent selective probes of ABL function. Here we report a screening assay for chemical modulators of ABL kinase activity that target the regulatory interaction of the SH3 domain with the SH2-kinase linker. This fluorescence polarization (FP) assay is based on a purified recombinant ABL protein consisting of the N-cap, SH3 and SH2 domains plus the SH2-kinase linker (N32L protein) and a short fluorescein-labeled probe peptide that binds to the SH3 domain. In assay development experiments, we found that the probe peptide binds to the recombinant ABL N32L protein in vitro, producing a robust FP signal that can be competed with an excess of unlabeled peptide. The FP signal is not observed with control N32L proteins bearing either an inactivating mutation in the SH3 domain or enhanced SH3:linker interaction. A pilot screen of 1200 FDA-approved drugs identified four compounds that specifically reduced the FP signal by at least three standard deviations from the untreated controls. Secondary assays showed that one of these hit compounds, the antithrombotic drug dipyridamole, enhances ABL kinase activity in vitro to a greater extent than the previously described ABL agonist, DPH. Docking studies predicted that this compound binds to a pocket formed at the interface of the SH3 domain and the linker, suggesting that it activates ABL by disrupting this regulatory interaction. These results show that screening assays based on the non-catalytic domains of ABL can identify allosteric small molecule regulators of kinase function, providing a new approach to selective drug discovery for this important

  18. Functional properties of hepatocytes in vitro are correlated with cell polarity maintenance.

    Science.gov (United States)

    Zeigerer, Anja; Wuttke, Anne; Marsico, Giovanni; Seifert, Sarah; Kalaidzidis, Yannis; Zerial, Marino

    2017-01-01

    Exploring the cell biology of hepatocytes in vitro could be a powerful strategy to dissect the molecular mechanisms underlying the structure and function of the liver in vivo. However, this approach relies on appropriate in vitro cell culture systems that can recapitulate the cell biological and metabolic features of the hepatocytes in the liver whilst being accessible to experimental manipulations. Here, we adapted protocols for high-resolution fluorescence microscopy and quantitative image analysis to compare two primary hepatocyte culture systems, monolayer and collagen sandwich, with respect to the distribution of two distinct populations of early endosomes (APPL1 and EEA1-positive), endocytic capacity, metabolic and signaling activities. In addition to the re-acquisition of hepatocellular polarity, primary hepatocytes grown in collagen sandwich but not in monolayer culture recapitulated the apico-basal distribution of EEA1 endosomes observed in liver tissue. We found that such distribution correlated with the organization of the actin cytoskeleton in vitro and, surprisingly, was dependent on the nutritional state in vivo. Hepatocytes in collagen sandwich also exhibited faster kinetics of low-density lipoprotein (LDL) and epidermal growth factor (EGF) internalization, showed improved insulin sensitivity and preserved their ability for glucose production, compared to hepatocytes in monolayer cultures. Although no in vitro culture system can reproduce the exquisite structural features of liver tissue, our data nevertheless highlight the ability of the collagen sandwich system to recapitulate key structural and functional properties of the hepatocytes in the liver and, therefore, support the usage of this system to study aspects of hepatocellular biology in vitro. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

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

    Science.gov (United States)

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

    2011-08-28

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

  20. Functional renormalization group and Kohn-Sham scheme in density functional theory

    Science.gov (United States)

    Liang, Haozhao; Niu, Yifei; Hatsuda, Tetsuo

    2018-04-01

    Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the φ4 theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime.

  1. Pd(II)-Catalyzed C–H Functionalizations Directed by Distal Weakly Coordinating Functional Groups

    Science.gov (United States)

    Li, Gang; Wan, Li; Zhang, Guofu; Leow, Dasheng; Spangler, Jillian

    2015-01-01

    Ortho-C(sp2)–H olefination and acetoxylation of broadly useful synthetic building blocks phenylacetyl Weinreb amides, esters, and ketones are developed without installing an additional directing group. The interplay between the distal weak coordination and the ligand-acceleration is crucial for these reactions to proceed under mild conditions. The tolerance of longer distance between the target C–H bonds and the directing functional groups also allows for the functionalizations of more distal C–H bonds in hydrocinnamoyl ketones, Weinreb amides and biphenyl Weinreb amides. Mechanistically, the coordination of these carbonyl groups and the bisdentate amino acid ligand with Pd(II) centers provides further evidence for our early hypothesis that the carbonyl groups of the potassium carboxylate is responsible for the directed C–H activation of carboxylic acids. PMID:25768039

  2. Functionalization of group-14 two-dimensional materials

    Science.gov (United States)

    Krawiec, Mariusz

    2018-06-01

    The great success of graphene has boosted intensive search for other single-layer thick materials, mainly composed of group-14 atoms arranged in a honeycomb lattice. This new class of two-dimensional (2D) crystals, known as 2D-Xenes, has become an emerging field of intensive research due to their remarkable electronic properties and the promise for a future generation of nanoelectronics. In contrast to graphene, Xenes are not completely planar, and feature a low buckled geometry with two sublattices displaced vertically as a result of the interplay between sp2 and sp3 orbital hybridization. In spite of the buckling, the outstanding electronic properties of graphene governed by Dirac physics are preserved in Xenes too. The buckled structure also has several advantages over graphene. Together with the spin–orbit (SO) interaction it may lead to the emergence of various experimentally accessible topological phases, like the quantum spin Hall effect. This in turn would lead to designing and building new electronic and spintronic devices, like topological field effect transistors. In this regard an important issue concerns the electron energy gap, which for Xenes naturally exists owing to the buckling and SO interaction. The electronic properties, including the magnitude of the energy gap, can further be tuned and controlled by external means. Xenes can easily be functionalized by substrate, chemical adsorption, defects, charge doping, external electric field, periodic potential, in-plane uniaxial and biaxial stress, and out-of-plane long-range structural deformation, to name a few. This topical review explores structural, electronic and magnetic properties of Xenes and addresses the question of their functionalization in various ways, including external factors acting simultaneously. It also points to future directions to be explored in functionalization of Xenes. The results of experimental and theoretical studies obtained so far have many promising features making

  3. 1,3-disubstituted ureas functionalized with ether groups are potent inhibitors of the soluble epoxide hydrolase with improved pharmacokinetic properties.

    Science.gov (United States)

    Kim, In-Hae; Tsai, Hsing-Ju; Nishi, Kosuke; Kasagami, Takeo; Morisseau, Christophe; Hammock, Bruce D

    2007-10-18

    Soluble epoxide hydrolase (sEH) is a therapeutic target for treating hypertension and inflammation. 1,3-Disubstituted ureas functionalized with an ether group are potent sEH inhibitors. However, their relatively low metabolic stability leads to poor pharmacokinetic properties. To improve their bioavailability, we investigated the effect of incorporating various polar groups on the ether function on the inhibition potencies, physical properties, in vitro metabolic stability, and pharmacokinetic properties. The structure-activity relationship studies showed that a hydrophobic linker between the urea group and the ether function is necessary to keep their potency. In addition, urea-ether inhibitors having a polar group such as diethylene glycol or morpholine significantly improved their physical properties and metabolic stability without any loss of inhibitory potency. Furthermore, improved pharmacokinetic properties in murine and canine models were obtained with the resulting inhibitors. These findings will facilitate the usage of sEH inhibitors in animal models of hypertension and inflammation.

  4. Measurement of the Spin Structure Function of the Neutron G1(N) from Deep Inelastic Scattering of Polarized Electrons from Polarized Neutrons in He-3

    Energy Technology Data Exchange (ETDEWEB)

    Dunn, J

    2004-01-06

    Polarized electrons of energies 19.42, 22.67, and 25.5 GeV were scattered off a polarized {sup 3}He target at SLAC's End Station A to measure the spin asymmetry of the neutron. From this asymmetry, the spin dependent structure function g{sub 1}{sup n}(x) was determined over a range in x from 0.03 to 0.6 with an average Q{sup 2} of 2 (GeV/C){sup 2}. The value of the integral of g{sub 1}{sup n} over x is {integral}g{sub 1}{sup n}(x)dx = -0.036 {+-} 0.009. The results were interpreted in the frame work of the Quark Parton Model (QPM) and used to test the Ellis-Jaffe and Bjorken sum rules. The value of the integral is 2.6 standard deviations from the Ellis-Jaffe prediction while the Bjorken sum rule was found to be in agreement with this data and proton data from SMC and E-143.

  5. Dramatic inversion of charge polarity in diketopyrrolopyrrole-based organic field-effect transistors via a simple nitrile group substitution.

    Science.gov (United States)

    Yun, Hui-Jun; Kang, Seok-Ju; Xu, Yong; Kim, Seul Ong; Kim, Yun-Hi; Noh, Yong-Young; Kwon, Soon-Ki

    2014-11-19

    A record-breaking high electron mobility of 7.0 cm(2) V(-1) s(-1) for n-channel polymer OFETs is reported. By the incorporation of only one nitrile group as an electron-withdrawing function in the vinyl linkage of the DPP-based copolymer, a dramatic inversion of majority charge-carriers from holes to electrons is achieved. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Observations of Adolescent Peer Group Interactions as a Function of Within- and Between-Group Centrality Status

    Science.gov (United States)

    Ellis, Wendy E.; Dumas, Tara M.; Mahdy, Jasmine C.; Wolfe, David A.

    2012-01-01

    Observations of adolescent (n = 258; M age = 15.45) peer group triads (n = 86) were analyzed to identify conversation and interaction styles as a function of within-group and between-group centrality status. Group members' discussions about hypothetical dilemmas were coded for agreements, disagreements, commands, and opinions. Interactions during…

  7. Thermal properties of some small peptides (N-acetyl-amino acid-N′-methylamides) with non-polar side groups

    International Nuclear Information System (INIS)

    Badea, Elena; Della Gatta, Giuseppe; Pałecz, Bartłomiej

    2014-01-01

    Highlights: • T fus and Δ fus H m of methylamides of N-acetyl substituted non-polar amino acids were measured. • T fus and Δ fus H m increased as a function of the molar mass of the alkyl side chains. • DL racemates showed T fus of about 40 °C lower than those of the corresponding pure L enantiomers. • Ideal solubility of solids at T = 298.15 K was estimated based on their T fus and Δ fus S m . - Abstract: Temperatures and molar enthalpies of fusion of a series of uncharged small peptides, namely the methylamides of N-acetyl substituted glycine, α-amino-butyric acid, alanine, valine, norvaline, leucine, isoleucine, norleucine, and proline, were measured by differential scanning calorimetry (d.s.c.), and molar entropies of fusion were derived. Both L- and DL-compunds were taken into account for the chiral molecules. No solid-to-solid transitions were detected from room temperature to fusion except for N-acetyl-N′-methyl alaninamide. Comparisons were made with the values for the N-acetyl amides of the corresponding amino acids previously reported. Both L enantiomers and DL racemates of α-aminobutyric acid, alanine, valine and isoleucine methylamides displayed temperatures of fusion sharply increasing as a function of molar mass, whereas much lower values, in countertendency with their molar mass increase, were found for proline and leucine methylamides. The racemic DL crystals showed temperatures of fusion of about 40 °C lower than those of the corresponding pure L enantiomers, except for proline and leucine derivatives. The enthalpies and entropies of fusion also varied as a function of molar mass following a similar trend with that of temperatures of fusion, except for alanine derivatives which showed lower values than expected. The values of ideal solubility of solids at T = 298.15 K were estimated based on their temperatures and molar entropies of fusion. Results were discussed with reference to the packing patterns based on hydrogen bonding and

  8. Fluorescence Polarization Screening Assays for Small Molecule Allosteric Modulators of ABL Kinase Function.

    Directory of Open Access Journals (Sweden)

    Prerna Grover

    Full Text Available The ABL protein-tyrosine kinase regulates intracellular signaling pathways controlling diverse cellular processes and contributes to several forms of cancer. The kinase activity of ABL is repressed by intramolecular interactions involving its regulatory Ncap, SH3 and SH2 domains. Small molecules that allosterically regulate ABL kinase activity through its non-catalytic domains may represent selective probes of ABL function. Here we report a screening assay for chemical modulators of ABL kinase activity that target the regulatory interaction of the SH3 domain with the SH2-kinase linker. This fluorescence polarization (FP assay is based on a purified recombinant ABL protein consisting of the N-cap, SH3 and SH2 domains plus the SH2-kinase linker (N32L protein and a short fluorescein-labeled probe peptide that binds to the SH3 domain. In assay development experiments, we found that the probe peptide binds to the recombinant ABL N32L protein in vitro, producing a robust FP signal that can be competed with an excess of unlabeled peptide. The FP signal is not observed with control N32L proteins bearing either an inactivating mutation in the SH3 domain or enhanced SH3:linker interaction. A pilot screen of 1200 FDA-approved drugs identified four compounds that specifically reduced the FP signal by at least three standard deviations from the untreated controls. Secondary assays showed that one of these hit compounds, the antithrombotic drug dipyridamole, enhances ABL kinase activity in vitro to a greater extent than the previously described ABL agonist, DPH. Docking studies predicted that this compound binds to a pocket formed at the interface of the SH3 domain and the linker, suggesting that it activates ABL by disrupting this regulatory interaction. These results show that screening assays based on the non-catalytic domains of ABL can identify allosteric small molecule regulators of kinase function, providing a new approach to selective drug discovery

  9. Plant species and functional group combinations affect green roof ecosystem functions.

    Science.gov (United States)

    Lundholm, Jeremy; Macivor, J Scott; Macdougall, Zachary; Ranalli, Melissa

    2010-03-12

    Green roofs perform ecosystem services such as summer roof temperature reduction and stormwater capture that directly contribute to lower building energy use and potential economic savings. These services are in turn related to ecosystem functions performed by the vegetation layer such as radiation reflection and transpiration, but little work has examined the role of plant species composition and diversity in improving these functions. We used a replicated modular extensive (shallow growing- medium) green roof system planted with monocultures or mixtures containing one, three or five life-forms, to quantify two ecosystem services: summer roof cooling and water capture. We also measured the related ecosystem properties/processes of albedo, evapotranspiration, and the mean and temporal variability of aboveground biomass over four months. Mixtures containing three or five life-form groups, simultaneously optimized several green roof ecosystem functions, outperforming monocultures and single life-form groups, but there was much variation in performance depending on which life-forms were present in the three life-form mixtures. Some mixtures outperformed the best monocultures for water capture, evapotranspiration, and an index combining both water capture and temperature reductions. Combinations of tall forbs, grasses and succulents simultaneously optimized a range of ecosystem performance measures, thus the main benefit of including all three groups was not to maximize any single process but to perform a variety of functions well. Ecosystem services from green roofs can be improved by planting certain life-form groups in combination, directly contributing to climate change mitigation and adaptation strategies. The strong performance by certain mixtures of life-forms, especially tall forbs, grasses and succulents, warrants further investigation into niche complementarity or facilitation as mechanisms governing biodiversity-ecosystem functioning relationships in green

  10. A conceptual basis to encode and detect organic functional groups in XML.

    Science.gov (United States)

    Sankar, Punnaivanam; Krief, Alain; Vijayasarathi, Durairaj

    2013-06-01

    A conceptual basis to define and detect organic functional groups is developed. The basic model of a functional group is termed as a primary functional group and is characterized by a group center composed of one or more group center atoms bonded to terminal atoms and skeletal carbon atoms. The generic group center patterns are identified from the structures of known functional groups. Accordingly, a chemical ontology 'Font' is developed to organize the existing functional groups as well as the new ones to be defined by the chemists. The basic model is extended to accommodate various combinations of primary functional groups as functional group assemblies. A concept of skeletal group is proposed to define the characteristic groups composed of only carbon atoms to be regarded as equivalent to functional groups. The combination of primary functional groups with skeletal groups is categorized as skeletal group assembly. In order to make the model suitable for reaction modeling purpose, a Graphical User Interface (GUI) is developed to define the functional groups and to encode in XML format appropriate to detect them in chemical structures. The system is capable of detecting multiple instances of primary functional groups as well as the overlapping poly-functional groups as the respective assemblies. Copyright © 2013 Elsevier Inc. All rights reserved.

  11. Nitrogen-Containing Functional Groups-Facilitated Acetone Adsorption by ZIF-8-Derived Porous Carbon

    Directory of Open Access Journals (Sweden)

    Liqing Li

    2018-01-01

    Full Text Available Nitrogen-doped porous carbon (ZC is prepared by modification with ammonia for increasing the specific surface area and surface polarity after carbonization of zeolite imidazole framework-8 (ZIF-8. The structure and properties of these ZCs were characterized by Transmission electron microscopy, X-ray diffraction, N2 sorption, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Through static adsorption tests of these carbons, the sample obtained at 600 °C was selected as an excellent adsorbent, which exhibited an excellent acetone capacity of 417.2 mg g−1 (25 °C with a very large surface area and high-level nitrogen doping (13.55%. The microporosity, surface area and N-containing groups of the materials, pyrrolic-N, pyridinic-N, and oxidized-N groups in particular, were found to be the determining factors for acetone adsorption by means of molecular simulation with density functional theory. These findings indicate that N-doped microporous carbon materials are potential promising adsorbents for acetone.

  12. Analytical applications of resins containing amide and polyamine functional groups

    International Nuclear Information System (INIS)

    Orf, G.M.

    1977-01-01

    Resins are prepared by chemically bonding N,N-dialkylamides and polyamine functional groups to Amberlite XAD-4. These resins are applied to the concentration of metal ions from dilute aqueous solution and the rapid separation of metal ions by high-speed liquid chromatography with continuous on-line detection of the eluent stream. A dibutyl amide resin is used for the separation of uranium(VI), thorium(IV), and zirconium(IV) from each other and several other metal ions. Uranium(VI) and thorium(IV) are determined in the presence of large excesses of foreign metal ions and anions. A practical application of the amide resin is studied by determining uranium in low grade uranium ores. The amide resin is also used for the selective concentration of gold(III) from seawater. A triethylenetetramine resin is used for the separation of copper(II) from equal molar amounts and large excesses of nickel(II), cobalt(II), zinc(II), cadmium(II), iron(III) and aluminum(III). Copper(II), nickel(II), zinc(II), cobalt(II) and cadmium(II) are determined in the presence of large excesses of calcium(II) and magnesium(II). The resin was found to be selective for silver(I) and mercury(II) at low pH values and a rapid separation of equal molar amounts of copper(II) and silver(I) was performed. The resin was also found to have an affinity for anionic metal complexes such as iron(III)-tartrate when the resin is in the hydrogen form. A study of the retention of the anions chromium(III)-tartrate and dichromate at various pH values was performed to better understand the anion exchange properties of the resin. Triethylenetetramine resins were also prepared from polystyrene gel to make a resin with higher capacities for copper

  13. Polymer containing functional end groups is base for new polymers

    Science.gov (United States)

    Hirshfield, S. M.

    1971-01-01

    Butadiene is polymerized with lithium-p-lithiophenoxide to produce linear polymer containing oxy-lithium group at one end and active carbon-lithium group at other end. Living polymers represent new approach to preparation of difunctional polymers in which structural features, molecular weight, type and number of end groups are controlled.

  14. Wigner functions for nonparaxial, arbitrarily polarized electromagnetic wave fields in free space.

    Science.gov (United States)

    Alonso, Miguel A

    2004-11-01

    New representations are defined for describing electromagnetic wave fields in free space exactly in terms of rays for any wavelength, level of coherence or polarization, and numerical aperture, as long as there are no evanescent components. These representations correspond to tensors assigned to each ray such that the electric and magnetic energy densities, the Poynting vector, and the polarization properties of the field correspond to simple integrals involving these tensors for the rays that go through the specified point. For partially coherent fields, the ray-based approach provided by the new representations can reduce dramatically the computation times for the physical properties mentioned earlier.

  15. Prediction of functional sites in proteins using conserved functional group analysis.

    Science.gov (United States)

    Innis, C Axel; Anand, A Prem; Sowdhamini, R

    2004-04-02

    A detailed knowledge of a protein's functional site is an absolute prerequisite for understanding its mode of action at the molecular level. However, the rapid pace at which sequence and structural information is being accumulated for proteins greatly exceeds our ability to determine their biochemical roles experimentally. As a result, computational methods are required which allow for the efficient processing of the evolutionary information contained in this wealth of data, in particular that related to the nature and location of functionally important sites and residues. The method presented here, referred to as conserved functional group (CFG) analysis, relies on a simplified representation of the chemical groups found in amino acid side-chains to identify functional sites from a single protein structure and a number of its sequence homologues. We show that CFG analysis can fully or partially predict the location of functional sites in approximately 96% of the 470 cases tested and that, unlike other methods available, it is able to tolerate wide variations in sequence identity. In addition, we discuss its potential in a structural genomics context, where automation, scalability and efficiency are critical, and an increasing number of protein structures are determined with no prior knowledge of function. This is exemplified by our analysis of the hypothetical protein Ydde_Ecoli, whose structure was recently solved by members of the North East Structural Genomics consortium. Although the proposed active site for this protein needs to be validated experimentally, this example illustrates the scope of CFG analysis as a general tool for the identification of residues likely to play an important role in a protein's biochemical function. Thus, our method offers a convenient solution to rapidly and automatically process the vast amounts of data that are beginning to emerge from structural genomics projects.

  16. GROUP DYNAMICS AND TEAM FUNCTIONING IN ORGANIZATIONAL CONTEXT

    Directory of Open Access Journals (Sweden)

    Raluca ZOLTAN

    2015-07-01

    Full Text Available In all kind of organization many activities are done by groups and teams. But how are they formed? What factors influence their existence and development? How members of groups and teams are selected? Which are the consequences in organizational context? In order to answer these questions, in the present paper we describe and analyze the main approaches regarding the formation of work groups and work teams (sociometric approach and group dynamics approach, the main factors that affects group dynamics and the FIRO model for evaluation the team members’ needs.

  17. Functional Fixedness and Functional Reduction as Common Sense Reasonings in Chemical Equilibrium and in Geometry and Polarity of Molecules.

    Science.gov (United States)

    Furio, C.; Calatayud, M. L.; Barcenas, S. L.; Padilla, O. M.

    2000-01-01

    Focuses on learning difficulties in procedural knowledge, and assesses the procedural difficulties of grade 12 and first- and third-year university students based on common sense reasoning in two areas of chemistry--chemical equilibrium and geometry, and polarity of molecules. (Contains 55 references.) (Author/YDS)

  18. Perceived In-Group Homogeneity as a Function of Group Membership Salience and Stereotype Threat.

    Science.gov (United States)

    Lee, Yueh-Ting; Ottati, Victor

    1995-01-01

    Considers two determinants--one cognitive and the other motivational--of perceptual fluctuations of in-group variation. Results indicate that when motivation to protect social or personal identity from threat is absent, priming the in-group social category promotes a homogeneous and cohesive view of the in-group. (RJM)

  19. Functional conjugated pyridines via main-group element tuning.

    Science.gov (United States)

    Stolar, Monika; Baumgartner, Thomas

    2018-03-29

    Pyridine-based materials have seen widespread attention for the development of n-type organic materials. In recent years, the incorporation of main-group elements has also explored significant advantages for the development and tunability of organic conjugated materials. The unique chemical and electronic structure of main-group elements has led to several enhancements in conventional organic materials. This Feature article highlights recent main-group based pyridine materials by discussing property enhancements and application in organic electronics.

  20. Zeta Functions, Renormalization Group Equations, and the Effective Action

    International Nuclear Information System (INIS)

    Hochberg, D.; Perez-Mercader, J.; Molina-Paris, C.; Visser, M.

    1998-01-01

    We demonstrate how to extract all the one-loop renormalization group equations for arbitrary quantum field theories from knowledge of an appropriate Seeley-DeWitt coefficient. By formally solving the renormalization group equations to one loop, we renormalization group improve the classical action and use this to derive the leading logarithms in the one-loop effective action for arbitrary quantum field theories. copyright 1998 The American Physical Society

  1. Functional renormalization group study of fluctuation effects in fermionic superfluids

    Energy Technology Data Exchange (ETDEWEB)

    Eberlein, Andreas

    2013-03-22

    This thesis is concerned with ground state properties of two-dimensional fermionic superfluids. In such systems, fluctuation effects are particularly strong and lead for example to a renormalization of the order parameter and to infrared singularities. In the first part of this thesis, the fermionic two-particle vertex is analysed and the fermionic renormalization group is used to derive flow equations for a decomposition of the vertex in charge, magnetic and pairing channels. In the second part, the channel-decomposition scheme is applied to various model systems. In the superfluid state, the fermionic two-particle vertex develops rich and singular dependences on momentum and frequency. After simplifying its structure by exploiting symmetries, a parametrization of the vertex in terms of boson-exchange interactions in the particle-hole and particle-particle channels is formulated, which provides an efficient description of the singular momentum and frequency dependences. Based on this decomposition of the vertex, flow equations for the effective interactions are derived on one- and two-loop level, extending existing channel-decomposition schemes to (i) the description of symmetry breaking in the Cooper channel and (ii) the inclusion of those two-loop renormalization contributions to the vertex that are neglected in the Katanin scheme. In the second part, the superfluid ground state of various model systems is studied using the channel-decomposition scheme for the vertex and the flow equations. A reduced model with interactions in the pairing and forward scattering channels is solved exactly, yielding insights into the singularity structure of the vertex. For the attractive Hubbard model at weak coupling, the momentum and frequency dependence of the two-particle vertex and the frequency dependence of the self-energy are determined on one- and two-loop level. Results for the suppression of the superfluid gap by fluctuations are in good agreement with the literature

  2. Application of macrobenthos functional groups to estimate the ecosystem health in a semi-enclosed bay.

    Science.gov (United States)

    Peng, Shitao; Zhou, Ran; Qin, Xuebo; Shi, Honghua; Ding, Dewen

    2013-09-15

    In this study, the functional group concept was first applied to evaluate the ecosystem health of Bohai Bay. Macrobenthos functional groups were defined according to feeding types and divided into five groups: a carnivorous group (CA), omnivorous group (OM), planktivorous group (PL), herbivorous group (HE), and detritivorous group (DE). Groups CA, DE, OM, and PL were identified, but the HE group was absent from Bohai Bay. Group DE was dominant during the study periods. The ecosystem health was assessed using a functional group evenness index. The functional group evenness values of most sampling stations were less than 0.40, indicating that the ecosystem health was deteriorated in Bohai Bay. Such deterioration could be attributed to land reclamation, industrial and sewage effluents, oil pollution, and hypersaline water discharge. This study demonstrates that the functional group concept can be applied to ecosystem health assessment in a semi-enclosed bay. Copyright © 2013 Elsevier Ltd. All rights reserved.

  3. Wavelet based comparison of high frequency oscillations in the geodetic and fluid excitation functions of polar motion

    Science.gov (United States)

    Kosek, W.; Popinski, W.; Niedzielski, T.

    2011-10-01

    It has been already shown that short period oscillations in polar motion, with periods less than 100 days, are very chaotic and are responsible for increase in short-term prediction errors of pole coordinates data. The wavelet technique enables to compare the geodetic and fluid excitation functions in the high frequency band in many different ways, e.g. by looking at the semblance function. The waveletbased semblance filtering enables determination the common signal in both geodetic and fluid excitation time series. In this paper the considered fluid excitation functions consist of the atmospheric, oceanic and land hydrology excitation functions from ECMWF atmospheric data produced by IERS Associated Product Centre Deutsches GeoForschungsZentrum, Potsdam. The geodetic excitation functions have been computed from the combined IERS pole coordinates data.

  4. Investigations of fluctuation phenomena in the excitation functions of the cross-section by means of polarized particles

    International Nuclear Information System (INIS)

    Henneck, R.

    1976-01-01

    The present work concerns theoretical and experimental investigations of fluctuation phenomena, which appear in the excitation functions of the diff. cross-section and of the analyzing power, when bombarding nuclei with polarized particles in the energy range of strongly overlapping levels. We could show theoretically that model-dependent calculations (or assumptions), necessary for the determination of the relative amount of direct interaction contribution within the statistical model of Ericson, are not necessary for the elastic scattering of polarized spin-1/2- particles from spin-zero-target nuclei, if the additional observable analyzing power is included in the analysis. The proposed, new method hence presents an independent test for the consistency of the Hauser-Feshbach theory and its validity in the domain of strongly overlapping levels. (orig./WL) [de

  5. Bidirectional reflectance distribution function of Spectralon white reflectance standard illuminated by incoherent unpolarized and plane-polarized light.

    Science.gov (United States)

    Bhandari, Anak; Hamre, Børge; Frette, Øvynd; Zhao, Lu; Stamnes, Jakob J; Kildemo, Morten

    2011-06-01

    A Lambert surface would appear equally bright from all observation directions regardless of the illumination direction. However, the reflection from a randomly scattering object generally has directional variation, which can be described in terms of the bidirectional reflectance distribution function (BRDF). We measured the BRDF of a Spectralon white reflectance standard for incoherent illumination at 405 and 680 nm with unpolarized and plane-polarized light from different directions of incidence. Our measurements show deviations of the BRDF for the Spectralon white reflectance standard from that of a Lambertian reflector that depend both on the angle of incidence and the polarization states of the incident light and detected light. The non-Lambertian reflection characteristics were found to increase more toward the direction of specular reflection as the angle of incidence gets larger.

  6. Direct quantification of negatively charged functional groups on membrane surfaces

    KAUST Repository

    Tiraferri, Alberto; Elimelech, Menachem

    2012-01-01

    groups at the surface of dense polymeric membranes. Both techniques consist of associating the membrane surface moieties with chemical probes, followed by quantification of the bound probes. Uranyl acetate and toluidine blue O dye, which interact

  7. Group delay functions and its applications in speech technology

    Indian Academy of Sciences (India)

    (iii) High resolution property: The (anti) resonance peaks (due to complex ... Resolving power of the group delay spectrum: z-plane (a, d, g), magnitude ...... speech signal into syllable-like units, without the knowledge of phonetic transcription.

  8. Functional Modification of Thioether Groups in Peptides, Polypeptides, and Proteins

    OpenAIRE

    Deming, TJ

    2017-01-01

    Recent developments in the modification of methionine and other thioether-containing residues in peptides, polypeptides, and proteins are reviewed. Properties and potential applications of the resulting functionalized products are also discussed. While much of this work is focused on natural Met residues, modifications at other side-chain residues have also emerged as new thioether-containing amino acids have been incorporated into peptidic materials. Functional modification of thioether-cont...

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

    Directory of Open Access Journals (Sweden)

    Bonaventure Gustavo

    2009-11-01

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

  10. Calculation of the Spontaneous Polarization and the Dielectric Constant as a Function of Temperature for

    Directory of Open Access Journals (Sweden)

    Hamit Yurtseven

    2012-01-01

    Full Text Available The temperature dependence of the spontaneous polarization P is calculated in the ferroelectric phase of KH2PO4 (KDP at atmospheric pressure (TC = 122 K. Also, the dielectric constant ε is calculated at various temperatures in the paraelectric phase of KDP at atmospheric pressure. For this calculation of P and ε, by fitting the observed Raman frequencies of the soft mode, the microscopic parameters of the pure tunnelling model are obtained. In this model, the proton-lattice interaction is not considered and the collective proton mode is identified with the soft-mode response of the system. Our calculations show that the spontaneous polarization decreases continuously in the ferroelectric phase as approaching the transition temperature TC. Also, the dielectric constant decreases with increasing temperature and it diverges in the vicinity of the transition temperature (TC = 122 K for KDP according to the Curie-Weiss law.

  11. The economic-geographical and environmental polarization as a factor of new functional relations between areas

    Directory of Open Access Journals (Sweden)

    Milinčić Miroljub A.

    2004-01-01

    Full Text Available Geographical clustering, in the way of economic-geographical polarization represents regular and positive process of development of human society. These processes are characterized by stressed intensity, together with relatively short time dimension at the territory of Serbia. Extreme recent ecological polarization is the main consequence of this type of recomposition of economic-geographical elements in the territory of Serbia. At the one hand, anthropogenic or socio-economic areas (locations, axis and crossroads of development are formed, together with the numerous ecological problems as developing barriers, while at the other hand are territories of economic-geographical stagnation also with satisfying quality of basic natural resources and environmental condition. These differences generates and permanently increases their spatial, resource and ecological interdependence.

  12. Illuminating "spin-polarized" Bloch wave-function projection from degenerate bands in decomposable centrosymmetric lattices

    Science.gov (United States)

    Li, Pengke; Appelbaum, Ian

    2018-03-01

    The combination of space inversion and time-reversal symmetries results in doubly degenerate Bloch states with opposite spin. Many lattices with these symmetries can be constructed by combining a noncentrosymmetric potential (lacking this degeneracy) with its inverted copy. Using simple models, we unravel the evolution of local spin splitting during this process of inversion symmetry restoration, in the presence of spin-orbit interaction and sublattice coupling. Importantly, through an analysis of quantum mechanical commutativity, we examine the difficulty of identifying states that are simultaneously spatially segregated and spin polarized. We also explain how surface-sensitive experimental probes (such as angle-resolved photoemission spectroscopy, or ARPES) of "hidden spin polarization" in layered materials are susceptible to unrelated spin splitting intrinsically induced by broken inversion symmetry at the surface.

  13. Metagenomic analysis reveals that modern microbialites and polar microbial mats have similar taxonomic and functional potential

    Directory of Open Access Journals (Sweden)

    Richard Allen White III

    2015-09-01

    Full Text Available Within the subarctic climate of Clinton Creek, Yukon, Canada, lies an abandoned and flooded open-pit asbestos mine that harbors rapidly growing microbialites. To understand their formation we completed a metagenomic community profile of the microbialites and their surrounding sediments. Assembled metagenomic data revealed that bacteria within the phylum Proteobacteria numerically dominated this system, although the relative abundances of taxa within the phylum varied among environments. Bacteria belonging to Alphaproteobacteria and Gammaproteobacteria were dominant in the microbialites and sediments, respectively. The microbialites were also home to many other groups associated with microbialite formation including filamentous cyanobacteria and dissimilatory sulfate-reducing Deltaproteobacteria, consistent with the idea of a shared global microbialite microbiome. Other members were present that are typically not associated with microbialites including Gemmatimonadetes and iron-oxidizing Betaproteobacteria, which participate in carbon metabolism and iron cycling. Compared to the sediments, the microbialite microbiome has significantly more genes associated with photosynthetic processes (e.g., photosystem II reaction centers, carotenoid and chlorophyll biosynthesis and carbon fixation (e.g., CO dehydrogenase. The Clinton Creek microbialite communities had strikingly similar functional potentials to non-lithifying microbial mats from the Canadian High Arctic and Antarctica, but are functionally distinct, from non-lithifying mats or biofilms from Yellowstone. Clinton Creek microbialites also share metabolic genes (R2 0.900. These metagenomic profiles from an anthropogenic microbialite-forming ecosystem provide context to microbialite formation on a human-relevant timescale.

  14. The preparation of new functionalized [2.2]paracyclophane derivatives with N-containing functional groups

    Directory of Open Access Journals (Sweden)

    Henning Hopf

    2015-04-01

    Full Text Available The two isomeric bis(isocyanates 4,12- and 4,16-di-isocyanato[2.2]paracyclophane, 16 and 28, have been prepared from their corresponding diacids by simple routes. The two isomers are versatile intermediates for the preparation of various cyclophanes bearing substituents with nitrogen-containing functional groups, e.g., the pseudo-ortho diamine 8, the bis secondary amine 23, and the crownophanes 18 and 19. Several of these new cyclophane derivatives (18, 19, 22, 26, 28 have been characterized by X-ray structural analysis.

  15. Functionalization of group IV semiconductors; Funktionalisierung von Gruppe IV-Halbleitern

    Energy Technology Data Exchange (ETDEWEB)

    Hoeb, Marco Andreas

    2011-01-15

    The present work is focused on the structural and electronic properties of thermally and photochemically grafted alkene molecules. The semiconductor substrates used in this work are the group IV-semiconductors silicon, diamond, and silicon carbide. On silicon, functionalization via the commonly known hydrosilylation reaction was performed. During thermal treatment in vacuum-distilled 1-octadecene, the alkene molecules covalently added to the substrate via Si-C bond formation, resulting in self-assembled organic monolayers. The reaction resulted in smooth and homogeneous alkyl-terminated surfaces. Static water contact angles were determined to be 113 . Photoelectron spectroscopy was performed and showed no evidence of surface oxidation. The high packing of the organic layers is indicated by the asymmetric methylene vibrational mode, which has been redshifted by -4 cm{sup -1} with respect to the liquid alkene mode position. The average molecular tilt-angle of the alkyl-molecules, relative to the surface normal, has been identified to be 34 . The transport properties have been determined to be dominated by tunneling processes. On diamond, first results on the thermal functionalization of hydrogen- and oxygen-terminated surfaces are demonstrated. Thermal functionalization with octadecene showed high selectivity, while hydrogenated diamond surfaces were found to be inert to the thermally induced reaction with alkenes. In contrast, alkene molecules were successfully grafted to oxygen-terminated sites via covalent C-O-C bonds. Reaction temperatures as high as 160 C were necessary to initiate the functionalization process.Wetting experiments on the alkyl-modified surfaces revealed contact angle values of 103 . The high quality of the monolayers on oxygenated surfaces was confirmed by IR-spectroscopy. In addition, polarized IR-measurements indicated a tilt angle of 23 . On silicon carbide, thermal and UV-induced alkoxylation were studied. Hydrofluoric acid treatment

  16. Choosing the polarity of the phase-encoding direction in diffusion MRI: Does it matter for group analysis?

    OpenAIRE

    Kennis, M.; van Rooij, S.J.H.; Kahn, R.S.; Geuze, E.; Leemans, A.

    2016-01-01

    Notorious for degrading diffusion MRI data quality are so-called susceptibility-induced off-resonance fields, which cause non-linear geometric image deformations. While acquiring additional data to correct for these distortions alleviates the adverse effects of this artifact drastically – e.g., by reversing the polarity of the phase-encoding (PE) direction – this strategy is often not an option due to scan time constraints. Especially in a clinical context, where patient comfort and safety ar...

  17. 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

  18. The Particle Habit Imaging and Polar Scattering probe PHIPS: First Stereo-Imaging and Polar Scattering Function Measurements of Ice Particles

    Science.gov (United States)

    Abdelmonem, A.; Schnaiter, M.; Schön, R.; Leisner, T.

    2009-04-01

    Cirrus clouds impact climate by their influence on the water vapour distribution in the upper troposphere. Moreover, they directly affect the radiative balance of the Earth's atmosphere by the scattering of incoming solar radiation and the absorption of outgoing thermal emission. The link between the microphysical properties of ice cloud particles and the radiative forcing of the clouds is not as yet well understood and the influence of the shapes of ice crystals on the radiative budget of cirrus clouds is currently under debate. PHIPS is a new experimental device for the stereo-imaging of individual cloud particles and the simultaneous measurement of the polar scattering function of the same particle. PHIPS uses an automated particle event triggering system that ensures that only those particles are captured which are located in the field of view - depth of field volume of the microscope unit. Efforts were made to improve the resolution power of the microscope unit down to about 3 µm and to facilitate a 3D morphology impression of the ice crystals. This is realised by a stereo-imaging set up composed of two identical microscopes which image the same particle under an angular viewing distance of 30°. The scattering part of PHIPS enables the measurement of the polar light scattering function of cloud particles with an angular resolution of 1° for forward scattering directions (from 1° to 10°) and 8° for side and backscattering directions (from 18° to 170°). For each particle the light scattering pulse per channel is stored either as integrated intensity or as time resolved intensity function which opens a new category of data analysis concerning details of the particle movement. PHIPS is the first step to PHIPS-HALO which is one of the in situ ice particle and water vapour instruments that are currently under development for the new German research aircraft HALO. The instrument was tested in the ice cloud characterisation campaign HALO-02 which was conducted

  19. Polarization functions for the modified m6-31G basis sets for atoms Ga through Kr.

    Science.gov (United States)

    Mitin, Alexander V

    2013-09-05

    The 2df polarization functions for the modified m6-31G basis sets of the third-row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller-Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6-31G basis sets as well as with the other similar 641 and 6-311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6-31G, m6-31G(d,p), and m6-31G(2df,p) basis sets are better in comparison with the performances of the known 6-31G, 6-31G(d,p) and 6-31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.

  20. Functional Modification of Thioether Groups in Peptides, Polypeptides, and Proteins.

    Science.gov (United States)

    Deming, Timothy J

    2017-03-15

    Recent developments in the modification of methionine and other thioether-containing residues in peptides, polypeptides, and proteins are reviewed. Properties and potential applications of the resulting functionalized products are also discussed. While much of this work is focused on natural Met residues, modifications at other side-chain residues have also emerged as new thioether-containing amino acids have been incorporated into peptidic materials. Functional modification of thioether-containing amino acids has many advantages and is a complementary methodology to the widely utilized methods for modification at cysteine residues.

  1. Conditionally exponential convex functions on locally compact groups

    International Nuclear Information System (INIS)

    Okb El-Bab, A.S.

    1992-09-01

    The main results of the thesis are: 1) The construction of a compact base for the convex cone of all conditionally exponential convex functions. 2) The determination of the extreme parts of this cone. Some supplementary lemmas are proved for this purpose. (author). 8 refs

  2. Clonal expansion of genome-intact HIV-1 in functionally polarized Th1 CD4+ T cells.

    Science.gov (United States)

    Lee, Guinevere Q; Orlova-Fink, Nina; Einkauf, Kevin; Chowdhury, Fatema Z; Sun, Xiaoming; Harrington, Sean; Kuo, Hsiao-Hsuan; Hua, Stephane; Chen, Hsiao-Rong; Ouyang, Zhengyu; Reddy, Kavidha; Dong, Krista; Ndung'u, Thumbi; Walker, Bruce D; Rosenberg, Eric S; Yu, Xu G; Lichterfeld, Mathias

    2017-06-30

    HIV-1 causes a chronic, incurable disease due to its persistence in CD4+ T cells that contain replication-competent provirus, but exhibit little or no active viral gene expression and effectively resist combination antiretroviral therapy (cART). These latently infected T cells represent an extremely small proportion of all circulating CD4+ T cells but possess a remarkable long-term stability and typically persist throughout life, for reasons that are not fully understood. Here we performed massive single-genome, near-full-length next-generation sequencing of HIV-1 DNA derived from unfractionated peripheral blood mononuclear cells, ex vivo-isolated CD4+ T cells, and subsets of functionally polarized memory CD4+ T cells. This approach identified multiple sets of independent, near-full-length proviral sequences from cART-treated individuals that were completely identical, consistent with clonal expansion of CD4+ T cells harboring intact HIV-1. Intact, near-full-genome HIV-1 DNA sequences that were derived from such clonally expanded CD4+ T cells constituted 62% of all analyzed genome-intact sequences in memory CD4 T cells, were preferentially observed in Th1-polarized cells, were longitudinally detected over a duration of up to 5 years, and were fully replication- and infection-competent. Together, these data suggest that clonal proliferation of Th1-polarized CD4+ T cells encoding for intact HIV-1 represents a driving force for stabilizing the pool of latently infected CD4+ T cells.

  3. Ethylene thiourea: thyroid function in two groups of exposed workers

    Energy Technology Data Exchange (ETDEWEB)

    Smith, D.M.

    1984-08-01

    Ethylene thiourea is manufactured at one factory in the United Kingdom and is mixed into masterbatch rubber at another. Clinical examinations and thyroid function tests were carried out over a period of three years on eight process workers and five mixers and on matched controls. The results show that the exposed mixers, but not exposed process workers, have significantly lower levels of total thyroxine (T4) than the controls. One mixer had an appreciably raised level of thyroid stimulation hormone (TSH).

  4. Ethylene thiourea: thyroid function in two groups of exposed workers.

    Science.gov (United States)

    Smith, D M

    1984-08-01

    Ethylene thiourea is manufactured at one factory in the United Kingdom and is mixed into masterbatch rubber at another. Clinical examinations and thyroid function tests were carried out over a period of three years on eight process workers and five mixers and on matched controls. The results show that the exposed mixers, but not exposed process workers, have significantly lower levels of total thyroxine (T4) than the controls. One mixer had an appreciably raised level of thyroid stimulation hormone (TSH).

  5. Functional polarity of the tentacle of the sea anemone Anemonia viridis: role in inorganic carbon acquisition.

    Science.gov (United States)

    Furla, P; Bénazet-Tambutté, S; Jaubert, J; Allemand, D

    1998-02-01

    The oral epithelial layers of anthozoans have a polarized morphology: photosynthetic endosymbionts live within endodermal cells facing the coelenteric cavity and are separated from the external seawater by the ectodermal layer and the mesoglea. To study if this morphology plays a role in the supply of inorganic carbon for symbiont photosynthesis, we measured the change in pH and the rate of OH- (H+) fluxes induced by each cell layer on a tentacle of the sea anemone Anemonia viridis. Light-induced pH increase of the medium bathing the endodermal layers led to the generation of a transepithelial pH gradient of approximately 0.8 pH units across the tentacle, whereas darkness induced acidification of this medium. The light-induced pH change was associated with an increase of total alkalinity. Only the endodermal layer was able to induce a net OH- secretion (H+ absorption). The light-induced OH- secretion by the endodermal cell layer was dependent on the presence of HCO3- in the compartment facing the ectoderm and was sensitive to several inhibitors of ion transport. [14C] HCO3- incorporation into photosynthates confirmed the ectodermal supply, the extent of which varied from 25 to > 90%, according to HCO3- availability. Our results suggest that the light-induced OH- secretion by the endodermal cell layer followed the polarized transport of HCO3- and its subsequent decarboxylation within the endodermal cell layer. This polarity may play a significant role both in inorganic carbon absorption and in the control of light-enhanced calcification in scleractinian corals.

  6. A new sum rule relating the deep-inelastic polarized structure function to the cross section of photoproduction

    International Nuclear Information System (INIS)

    Koretune, Susumu

    1993-01-01

    A sum rule which relates the deep-inelastic polarized structure function g 1 p (x,Q 2 ) to the cross section of photoproduction, (σ 3/2 -σ 1/2 ), is derived. This rule makes it possible to compare the integral of g 1 p (x,Q 2 ) with the Drell-Hearn-Gerasimov sum rule without worrying about contributions from higher twist terms. Further this sum rule shows that there may exist a dynamical mechanism which relates the low energy region to the high energy one. It is conjectured that the spontaneous chiral symmetry breaking of the vacuum is the origin of this mechanism. (author)

  7. Transformations of functional groups attached to cyclopentadienyl or related ligands in group 4 metal complexes

    Czech Academy of Sciences Publication Activity Database

    Pinkas, Jiří; Lamač, Martin

    2015-01-01

    Roč. 296, JUL 2015 (2015), s. 45-90 ISSN 0010-8545 R&D Projects: GA ČR(CZ) GA14-08531S Institutional support: RVO:61388955 Keywords : Zirconium * Functionalized cyclopentadienyl ligands * Titanium Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 12.994, year: 2015

  8. Neutron polarization in polarized 3He targets

    International Nuclear Information System (INIS)

    Friar, J.L.; Gibson, B.F.; Payne, G.L.; Bernstein, A.M.; Chupp, T.E.

    1990-01-01

    Simple formulas for the neutron and proton polarizations in polarized 3 He targets are derived assuming (1) quasielastic final states; (2) no final-state interactions; (3) no meson-exchange currents; (4) large momentum transfers; (5) factorizability of 3 He SU(4) response-function components. Numerical results from a wide variety of bound-state solutions of the Faddeev equations are presented. It is found that this simple model predicts the polarization of neutrons in a fully polarized 3 He target to be 87%, while protons should have a slight residual polarization of -2.7%. Numerical studies show that this model works very well for quasielastic electron scattering

  9. Group characters, symmetric functions, and the Hecke algebra

    CERN Document Server

    Goldschmidt, David M

    1993-01-01

    Directed at graduate students and mathematicians, this book covers an unusual set of interrelated topics, presenting a self-contained exposition of the algebra behind the Jones polynomial along with various excursions into related areas. The book is made up of lecture notes from a course taught by Goldschmidt at the University of California at Berkeley in 1989. The course was organized in three parts. Part I covers, among other things, Burnside's Theorem that groups of order p^aq^b are solvable, Frobenius' Theorem on the existence of Frobenius kernels, and Brauer's characterization of characters. Part II covers the classical character theory of the symmetric group and includes an algorithm for computing the character table of S^n ; a construction of the Specht modules; the "determinant form" for the irreducible characters; the hook-length formula of Frame, Robinson, and Thrall; and the Murnaghan-Nakayama formula. Part III covers the ordinary representation theory of the Hecke algebra, the construction of the ...

  10. Duffy blood group antigens: structure, serological properties and function

    Directory of Open Access Journals (Sweden)

    Ewa Łukasik

    2016-03-01

    Full Text Available Duffy (Fy blood group antigens are located on seven-transmembrane glycoprotein expressed on erythrocytes and endothelial cells, which acts as atypical chemokine receptor (ACKR1 and malarial receptor. The biological role of the Duffy glycoprotein has not been explained yet. It is suggested that Duffy protein modulate the intensity of the inflammatory response. The Duffy blood group system consists of two major antigens, Fya and Fyb, encoded by two codominant alleles designated FY*A and FY*B which differ by a single nucleotide polymorphism (SNP at position 125G>A of the FY gene that results in Gly42Asp amino acid change in the Fya and Fyb antigens, respectively. The presence of antigen Fya and/or Fyb on the erythrocytes determine three Duffy-positive phenotypes: Fy(a+b-, Fy(a-b+ and Fy(a+b+, identified in Caucasian population. The Duffy-negative phenotype Fy(a-b-, frequent in Africans, but very rare in Caucasians, is defined by the homozygous state of FY*B-33 alleles. The FY*B-33 allele is associated with a SNP -33T>C in the promoter region of the FY gene, which suppresses erythroid expression of this gene without affecting its expression in other tissues. The FY*X allele, found in Caucasians, is correlated with weak expression of Fyb antigen. Fyx antigen differs from the native Fyb by the Arg89Cys and Ala100Thr amino acid substitutions due to SNPs: 265C>T and 298G>A in FY*B allele. The frequency of the FY alleles shows marked geographic disparities, the FY*B-33 allele is predominant in Africans, the FY*B in Caucasians, while the FY*A allele is dominant in Asians and it is the most prevalent allele globally.

  11. Reactivity of the functional groups in functional polymers. Use of T-for-H exchange reaction

    International Nuclear Information System (INIS)

    Imaizumi, Hiroshi; Hasegawa, Shinobu.

    1997-01-01

    In order to reveal the reactivity of several functional polymers, the following two experiments were carried out: observing the hydrogen-isotope exchange reaction (T-for-H exchange reaction) between one of T-labeled functional polymers and 0.500 mol·l -1 aniline dissolved in p-xylene, observing the degree of the T dispersed from the surface area of the polymer under the several conditions. Consequently, the following six matters have been quantitatively obtained. The T-for-H exchange reaction occurred between each T-labeled polymer and aniline, and is more predominant than other chemical reactions within the range of 50-90degC. The reactivity of the polymers are strongly affected by their matrix structures. The degree of the T dispersed from the surface area of each T-labeled polymer is hardly affected by humidity. The higher the temperature is, the larger is the degree of the T dispersed from the surface area. At the same temperature, the degree of the T dispersed from the surface area of each polymer is strongly affected by the physical form of the polymer even if the polymer has the same functional group as the others, and the T existing in the surface area of a T-labeled glassy polymer is less dispersed than that of a porous one. The degree of the T dispersed from the surface area of a T-labeled polymer is small when the degree of the polymerization of the polymer is high. (author)

  12. The messenger matters: Pollinator functional group influences mating system dynamics.

    Science.gov (United States)

    Weber, Jennifer J

    2017-08-01

    The incredible diversity of plant mating systems has fuelled research in evolutionary biology for over a century. Currently, there is broad concern about the impact of rapidly changing pollinator communities on plant populations. Very few studies, however, examine patterns and mechanisms associated with multiple paternity from cross-pollen loads. Often, foraging pollinators collect a mixed pollen load that may result in the deposition of pollen from different sires to receptive stigmas. Coincident deposition of self- and cross-pollen leads to interesting mating system dynamics and has been investigated in numerous species. But, mixed pollen loads often consist of a diversity of cross-pollen and result in multiple sires of seeds within a fruit. In this issue of Molecular Ecology, Rhodes, Fant, and Skogen () examine how pollinator identity and spatial isolation influence multiple paternity within fruits of a self-incompatible evening primrose. The authors demonstrate that pollen pool diversity varies between two pollinator types, hawkmoths and diurnal solitary bees. Further, progeny from more isolated plants were less likely to have multiple sires regardless of the pollinator type. Moving forward, studies of mating system dynamics should consider the implications of multiple paternity and move beyond the self- and cross-pollination paradigm. Rhodes et al. () demonstrate the importance of understanding the roles that functionally diverse pollinators play in mating system dynamics. © 2017 John Wiley & Sons Ltd.

  13. METALLICITY DISTRIBUTION FUNCTIONS OF FOUR LOCAL GROUP DWARF GALAXIES

    Energy Technology Data Exchange (ETDEWEB)

    Ross, Teresa L.; Holtzman, Jon [Department of Astronomy, New Mexico State University, P.O. Box 30001, MSC 4500, Las Cruces, NM 88003-8001 (United States); Saha, Abhijit [NOAO, 950 Cherry Avenue, Tucson, AZ 85726-6732 (United States); Anthony-Twarog, Barbara J., E-mail: rosst@nmsu.edu, E-mail: holtz@nmsu.edu, E-mail: bjat@ku.edu [Department of Physics and Astronomy, University of Kansas, Lawrence, KS 66045-7582 (United States)

    2015-06-15

    We present stellar metallicities in Leo I, Leo II, IC 1613, and Phoenix dwarf galaxies derived from medium (F390M) and broad (F555W, F814W) band photometry using the Wide Field Camera 3 instrument on board the Hubble Space Telescope. We measured metallicity distribution functions (MDFs) in two ways, (1) matching stars to isochrones in color–color diagrams and (2) solving for the best linear combination of synthetic populations to match the observed color–color diagram. The synthetic technique reduces the effect of photometric scatter and produces MDFs 30%–50% narrower than the MDFs produced from individually matched stars. We fit the synthetic and individual MDFs to analytical chemical evolution models (CEMs) to quantify the enrichment and the effect of gas flows within the galaxies. Additionally, we measure stellar metallicity gradients in Leo I and II. For IC 1613 and Phoenix our data do not have the radial extent to confirm a metallicity gradient for either galaxy. We find the MDF of Leo I (dwarf spheroidal) to be very peaked with a steep metal-rich cutoff and an extended metal-poor tail, while Leo II (dwarf spheroidal), Phoenix (dwarf transition), and IC 1613 (dwarf irregular) have wider, less peaked MDFs than Leo I. A simple CEM is not the best fit for any of our galaxies; therefore we also fit the “Best Accretion Model” of Lynden-Bell. For Leo II, IC 1613, and Phoenix we find similar accretion parameters for the CEM even though they all have different effective yields, masses, star formation histories, and morphologies. We suggest that the dynamical history of a galaxy is reflected in the MDF, where broad MDFs are seen in galaxies that have chemically evolved in relative isolation and narrowly peaked MDFs are seen in galaxies that have experienced more complicated dynamical interactions concurrent with their chemical evolution.

  14. Introduction of JAXA Lunar and Planetary Exploration Data Analysis Group: Landing Site Analysis for Future Lunar Polar Exploration Missions

    Science.gov (United States)

    Otake, H.; Ohtake, M.; Ishihara, Y.; Masuda, K.; Sato, H.; Inoue, H.; Yamamoto, M.; Hoshino, T.; Wakabayashi, S.; Hashimoto, T.

    2018-04-01

    JAXA established JAXA Lunar and Planetary Exploration Data Analysis Group (JLPEDA) at 2016. Our group has been analyzing lunar and planetary data for various missions. Here, we introduce one of our activities.

  15. Guidelines To Select the N-Heterocyclic Carbene for the Organopolymerization of Monomers with a Polar Group

    KAUST Repository

    Falivene, Laura

    2017-02-13

    We report on the DFT stability of zwitterion and spirocycle adducts of five polar monomers with nine N-heterocyclic carbenes (NHC), covering the most typical classes of monomers and NHCs used in organopolymerization. Results indicate that the relative stability of the two adducts is dominated by the singlet-triplet energy gap of the free NHC, with low energy gaps favoring the spirocycle adduct, while high energy gaps favor the zwitterionic adduct. This basic structure/property relationship can be tuned by the hindrance of the NHC and the nature of the monomer. In addition to rationalize existing systems, the 45 NHC/monomer combinations we examined can be used as a guideline to predict the behavior of a new NHC/monomer combination.

  16. A Novel Group-Fused Sparse Partial Correlation Method for Simultaneous Estimation of Functional Networks in Group Comparison Studies.

    Science.gov (United States)

    Liang, Xiaoyun; Vaughan, David N; Connelly, Alan; Calamante, Fernando

    2018-05-01

    The conventional way to estimate functional networks is primarily based on Pearson correlation along with classic Fisher Z test. In general, networks are usually calculated at the individual-level and subsequently aggregated to obtain group-level networks. However, such estimated networks are inevitably affected by the inherent large inter-subject variability. A joint graphical model with Stability Selection (JGMSS) method was recently shown to effectively reduce inter-subject variability, mainly caused by confounding variations, by simultaneously estimating individual-level networks from a group. However, its benefits might be compromised when two groups are being compared, given that JGMSS is blinded to other groups when it is applied to estimate networks from a given group. We propose a novel method for robustly estimating networks from two groups by using group-fused multiple graphical-lasso combined with stability selection, named GMGLASS. Specifically, by simultaneously estimating similar within-group networks and between-group difference, it is possible to address inter-subject variability of estimated individual networks inherently related with existing methods such as Fisher Z test, and issues related to JGMSS ignoring between-group information in group comparisons. To evaluate the performance of GMGLASS in terms of a few key network metrics, as well as to compare with JGMSS and Fisher Z test, they are applied to both simulated and in vivo data. As a method aiming for group comparison studies, our study involves two groups for each case, i.e., normal control and patient groups; for in vivo data, we focus on a group of patients with right mesial temporal lobe epilepsy.

  17. A Generalized Logistic Regression Procedure to Detect Differential Item Functioning among Multiple Groups

    Science.gov (United States)

    Magis, David; Raiche, Gilles; Beland, Sebastien; Gerard, Paul

    2011-01-01

    We present an extension of the logistic regression procedure to identify dichotomous differential item functioning (DIF) in the presence of more than two groups of respondents. Starting from the usual framework of a single focal group, we propose a general approach to estimate the item response functions in each group and to test for the presence…

  18. Functional groups grafted nonwoven fabrics for blood filtration-The effects of functional groups and wettability on the adhesion of leukocyte and platelet

    Energy Technology Data Exchange (ETDEWEB)

    Yang Chao [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China); Cao Ye [Institute of Blood Transfusion, Chinese Academy of Medical Sciences and Peking Union Medical College, Chengdu 610081 (China); Sun Kang, E-mail: ksun@sjtu.edu.cn [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 800 Dongchuan Road, Shanghai 200240 (China); Liu Jiaxin; Wang Hong [Institute of Blood Transfusion, Chinese Academy of Medical Sciences and Peking Union Medical College, Chengdu 610081 (China)

    2011-01-15

    In this work, the effects of grafted functional groups and surface wettability on the adhesion of leukocyte and platelet were investigated by the method of blood filtration. The filter materials, poly(butylene terephthalate) nonwoven fabrics bearing different functional groups including hydroxyl (OH), carboxyl (COOH), sulfonic acid group (SO{sub 3}H) and zwitterionic sulfobetaine group ({sup +}N((CH{sub 3}){sub 2})(CH{sub 2}){sub 3}SO{sub 3}{sup Circled-Minus }) with controllable wettability were prepared by UV radiation grafting vinyl monomers with these functional groups. Our results emphasized that both surface functional groups and surface wettability had significant effects on the adhesion of leukocyte and platelet. In the case of filter materials with the same wettability, leukocytes adhering to filter materials decreased in the order: the surface bearing OH only > the surface bearing both OH and COOH > the surface bearing sulfobetaine group > the surface bearing SO{sub 3}H, while platelets adhering to filter materials decreased as the following order: the surface bearing SO{sub 3}H > the surface bearing both OH and COOH > the surface bearing OH only > the surface bearing sulfobetaine group. As the wettability of filter materials increased, both leukocyte and platelet adhesion to filter materials declined, except that leukocyte adhesion to the surface bearing OH only remained unchanged.

  19. Polarized neutrons

    International Nuclear Information System (INIS)

    Williams, W.G.

    1988-01-01

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

  20. Functional Group of Spiders in Cultivated Landscape Dominated by Paddy Fields in West Java, Indonesia

    Directory of Open Access Journals (Sweden)

    I WAYAN SUANA

    2009-03-01

    Full Text Available Distribution of spiders in all colonized environments is limited by biotic and abiotic factors requiring adaptations with respect to, for example microhabitat choice and hunting behavior. These two factors were frequently used to group spiders into functional groups. In this study our objectives were to (i group of genera of spiders into functional group based on their microhabitat specificity, hunting behavior, and daily activity; and (ii compare the number and composition of functional group of spider at each habitat type and period of paddy growth. The study was conducted at a landscape dominated by paddy fields in Cianjur Watershed for a period of 9 months. Four different habitat types (paddy, vegetable, non-crop, and mixed garden, were sampled using five trapping techniques (pitfall traps, farmcop suction, sweep netting, yellow-pan traps, and sticky traps. The Unweighted Pair-Group Average and the Euclidean Distances were used to generate dendrogram of functional group of spider. We found 14 functional groups of spider at genus level. The number of functional group of spider at four habitat types was differing, but the composition was similar, because all habitats were closed to each other. Habitat structure diversity and disturbance level influenced the number of functional group of spider. Different architecture of vegetation and availability of differ prey during paddy growth, causing the composition of functional group of spider in each period of paddy growth was changed, although its number was unchanged.

  1. Mitochondrial ROS Production Protects the Intestine from Inflammation through Functional M2 Macrophage Polarization

    Directory of Open Access Journals (Sweden)

    Laura Formentini

    2017-05-01

    Full Text Available Mitochondria are signaling hubs in cellular physiology that play a role in inflammatory diseases. We found that partial inhibition of the mitochondrial ATP synthase in the intestine of transgenic mice triggers an anti-inflammatory response through NFκB activation mediated by mitochondrial mtROS. This shielding phenotype is revealed when mice are challenged by DSS-induced colitis, which, in control animals, triggers inflammation, recruitment of M1 pro-inflammatory macrophages, and the activation of the pro-oncogenic STAT3 and Akt/mTOR pathways. In contrast, transgenic mice can polarize macrophages to the M2 anti-inflammatory phenotype. Using the mitochondria-targeted antioxidant MitoQ to quench mtROS in vivo, we observe decreased NFκB activation, preventing its cellular protective effects. These findings stress the relevance of mitochondrial signaling to the innate immune system and emphasize the potential role of the ATP synthase as a therapeutic target in inflammatory and other related diseases.

  2. The spin-dependent structure function $g_{1}(x)$ of the deuteron from polarized deep-inelastic muon scattering

    CERN Document Server

    Adams, D; Adeva, B; Akdogan, T; Arik, E; Arvidson, A; Badelek, B; Ballintijn, M K; Bardin, Dimitri Yuri; Bardin, G; Baum, G; Berglund, P; Betev, L; Bird, I G; Birsa, R; Björkholm, P; Bonner, B E; De Botton, N R; Boutemeur, M; Bradamante, Franco; Bravar, A; Bressan, A; Bültmann, S; Burtin, E; Cavata, C; Crabb, D; Cranshaw, J; Çuhadar-Dönszelmann, T; Dalla Torre, S; Van Dantzig, R; Derro, B R; Deshpande, A A; Dhawan, S K; Dulya, C M; Dyring, A; Eichblatt, S; Faivre, Jean-Claude; Fasching, D; Feinstein, F; Fernández, C; Frois, Bernard; Gallas, A; Garzón, J A; Gaussiran, T; Giorgi, M A; von Goeler, E; Gómez, F; Gracia, G; De Groot, N; Grosse-Perdekamp, M; Von Harrach, D; Hasegawa, T; Hautle, P; Hayashi, N; Heusch, C A; Horikawa, N; Hughes, V W; Igo, G; Ishimoto, S; Iwata, T; Kabuss, E M; Kageya, T; Kalinovskaya, L V; Karev, A G; Kessler, H J; Ketel, T; Kiryluk, J; Kishi, A; Kiselev, Yu F; Klostermann, L; Krämer, Dietrich; Krivokhizhin, V G; Kröger, W; Kukhtin, V V; Kurek, K; Kyynäräinen, J; Lamanna, M; Landgraf, U; Le Goff, J M; Lehár, F; de Lesquen, A; Lichtenstadt, J; Lindqvist, T; Litmaath, M; Loewe, M; Magnon, A; Mallot, G K; Marie, F; Martin, A; Martino, J; Matsuda, T; Mayes, B W; McCarthy, J S; Medved, K S; Van Middelkoop, G; Miller, D; Mori, K; Moromisato, J H; Nagaitsev, A P; Nassalski, J P; Naumann, Lutz; Niinikoski, T O; Oberski, J; Ogawa, A; Ozben, C; Parks, D P; Perrot-Kunne, F; Peshekhonov, V D; Piegaia, R; Pinsky, L; Platchkov, S K; Pló, M; Polec, J; Pose, D; Postma, H; Pretz, J; Puntaferro, R; Pussieux, T; Pyrlik, J; Rädel, G; Rijllart, A; Roberts, J B; Rock, S E; Rodríguez, M; Rondio, Ewa; Rosado, A; Sabo, I; Saborido, J; Sandacz, A; Savin, I A; Schiavon, R P; Schüler, K P; Seitz, R; Semertzidis, Y K; Sever, F; Shanahan, P; Sichtermann, E P; Simeoni, F; Smirnov, G I; Staude, A; Steinmetz, A; Steigler, U; Stuhrmann, H B; Szleper, M; Teichert, K M; Tessarotto, F; Tlaczala, W; Trentalange, S; Tripet, A; Ünel, G; Velasco, M; Vogt, J; Voss, Rüdiger; Weinstein, R; Whitten, C; Windmolders, R; Willumeit, R; Wislicki, W; Witzmann, A; Yañez, A; Ylöstalo, J; Zanetti, A M; Zaremba, K; Zhao, J

    1997-01-01

    We present a new measurement of the spin-dependent structure function $g_{1}^{\\rm d}$ of the deuteron from deep inelastic scattering of 190 GeV polarized muons on polarized deuterons. The results are combined with our previous measurements of $g_{1}^{\\rm d}$. A perturbative QCD evolution in next-to-leading order is used to compute $g_{1}^{\\rm d}(x)$ at a constant $Q^{2}$. At $Q^{2} = 10$ GeV$^{2}$, we obtain a first moment $\\Gamma_{1}^{\\rm d} = \\int_{0}^{1} g_{1}^{\\rm d}{\\rm d}x = 0.041 \\pm 0.008$, a flavour-singlet axial charge of the nucleon $a_{0} = 0.30 \\pm 0.08$, and an axial charge of the strange quark $a_{s} = -0.09 \\pm 0.03$. Using our earlier determination of $\\Gamma_{1}^{\\rm p}$, we obtain $\\Gamma_1^{\\rm p} - \\Gamma_1^{\\rm n} = 0.183 \\pm 0.035$ at $Q^2 = 10\\,\\mbox{GeV}^2$. This result is in agreement with the Bjorken sum rule which predicts $\\Gamma_1^{\\rm p} - \\Gamma_1^{\\rm n} = 0.186 \\pm 0.002$ at the same $Q^2$.

  3. Functional Group Analysis for Diesel-like Mixing-Controlled Compression Ignition Combustion Blendstocks

    Energy Technology Data Exchange (ETDEWEB)

    Gaspar, Daniel J.; McCormick, Robert L.; Polikarpov, Evgueni; Fioroni, Gina; George, Anthe; Albrecht, Karl O.

    2016-12-30

    This report addresses the suitability of hydrocarbon and oxygenate functional groups for use as a diesel-like fuel blending component in an advanced, mixing-controlled, compression ignition combustion engine. The functional groups are chosen from those that could be derived from a biomass feedstock, and represent a full range of chemistries. This first systematic analysis of functional groups will be of value to all who are pursuing new bio-blendstocks for diesel-like fuels.

  4. Role of oxygen-containing functional groups in forest fire-generated and pyrolytic chars for immobilization of copper and nickel.

    Science.gov (United States)

    Esfandbod, Maryam; Merritt, Christopher R; Rashti, Mehran Rezaei; Singh, Balwant; Boyd, Sue E; Srivastava, Prashant; Brown, Christopher L; Butler, Orpheus M; Kookana, Rai S; Chen, Chengrong

    2017-01-01

    Char as a carbon-rich material, can be produced under pyrolytic conditions, wildfires or prescribed burn offs for fire management. The objective of this study was to elucidate mechanistic interactions of copper (Cu 2+ ) and nickel (Ni 2+ ) with different chars produced by pyrolysis (green waste, GW; blue-Mallee, BM) and forest fires (fresh-burnt by prescribed fire, FC; aged char produced by wild fire, AC). The pyrolytic chars were more effective sorbents of Cu 2+ (∼11 times) and Ni 2+ (∼5 times) compared with the forest fire chars. Both cross-polarization (CPMAS-NMR) and Bloch decay (BDMAS-NMR) 13 C NMR spectroscopies showed that forest fire chars have higher woody components (aromatic functional groups) and lower polar groups (e.g. O-alkyl C) compared with the pyrolytic chars. The polarity index was greater in the pyrolytic chars (0.99-1.34) than in the fire-generated chars (0.98-1.15), while aromaticity was lower in the former than in the latter. Fourier transform infrared (FTIR) and Raman spectroscopies indicated the binding of carbonate and phosphate with both Cu 2+ and Ni 2+ in all chars, but with a greater extent in pyrolytic than forest fire-generated chars. These findings have demonstrated the key role of char's oxygen-containing functional groups in determining their sorption capacity for the Cu 2+ and Ni 2+ in contaminated lands. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Maintaining sufficient nanos is a critical function for polar granule component in the specification of primordial germ cells.

    Science.gov (United States)

    Deshpande, Girish; Spady, Emma; Goodhouse, Joe; Schedl, Paul

    2012-11-01

    Primordial germ cells (PGC) are the precursors of germline stem cells. In Drosophila, PGC specification is thought to require transcriptional quiescence and three genes, polar granule component (pgc), nanos (nos), and germ cell less (gcl) function to downregulate Pol II transcription. While it is not understood how nos or gcl represses transcription, pgc does so by inhibiting the transcription elongation factor b (P-TEFb), which is responsible for phosphorylating Ser2 residues in the heptad repeat of the C-terminal domain (CTD) of the largest Pol II subunit. In the studies reported here, we demonstrate that nos are a critical regulatory target of pgc. We show that a substantial fraction of the PGCs in pgc embryos have greatly reduced levels of Nos protein and exhibit phenotypes characteristic of nos PGCs. Lastly, restoring germ cell-specific expression of Nos is sufficient to ameliorate the pgc phenotype.

  6. Spin-polarized current and shot noise in the presence of spin flip in a quantum dot via nonequilibrium Green's functions

    DEFF Research Database (Denmark)

    De Souza, Fabricio; Jauho, Antti-Pekka; Egues, J.C.

    2008-01-01

    Using nonequilibrium Green's functions we calculate the spin-polarized current and shot noise in a ferromagnet-quantum-dot-ferromagnet system. Both parallel (P) and antiparallel (AP) magnetic configurations are considered. Coulomb interaction and coherent spin flip (similar to a transverse magnetic...... field) are taken into account within the dot. We find that the interplay between Coulomb interaction and spin accumulation in the dot can result in a bias-dependent current polarization p. In particular, p can be suppressed in the P alignment and enhanced in the AP case depending on the bias voltage....... The coherent spin flip can also result in a switch of the current polarization from the emitter to the collector lead. Interestingly, for a particular set of parameters it is possible to have a polarized current in the collector and an unpolarized current in the emitter lead. We also found a suppression...

  7. Functional assessment of sodium chloride cotransporter NCC mutants in polarized mammalian epithelial cells

    DEFF Research Database (Denmark)

    Rosenbaek, Lena L; Rizzo, Federica; MacAulay, Nanna

    2017-01-01

    The thiazide-sensitive sodium chloride cotransporter NCC is important for maintaining serum sodium (Na(+)) and, indirectly, serum potassium (K(+)) levels. Functional studies on NCC have used cell lines with native NCC expression, transiently transfected nonpolarized cell lines, or Xenopus laevis...

  8. A CRM domain protein functions dually in group I and group II intron splicing in land plant chloroplasts.

    Science.gov (United States)

    Asakura, Yukari; Barkan, Alice

    2007-12-01

    The CRM domain is a recently recognized RNA binding domain found in three group II intron splicing factors in chloroplasts, in a bacterial protein that associates with ribosome precursors, and in a family of uncharacterized proteins in plants. To elucidate the functional repertoire of proteins with CRM domains, we studied CFM2 (for CRM Family Member 2), which harbors four CRM domains. RNA coimmunoprecipitation assays showed that CFM2 in maize (Zea mays) chloroplasts is associated with the group I intron in pre-trnL-UAA and group II introns in the ndhA and ycf3 pre-mRNAs. T-DNA insertions in the Arabidopsis thaliana ortholog condition a defective-seed phenotype (strong allele) or chlorophyll-deficient seedlings with impaired splicing of the trnL group I intron and the ndhA, ycf3-int1, and clpP-int2 group II introns (weak alleles). CFM2 and two previously described CRM proteins are bound simultaneously to the ndhA and ycf3-int1 introns and act in a nonredundant fashion to promote their splicing. With these findings, CRM domain proteins are implicated in the activities of three classes of catalytic RNA: group I introns, group II introns, and 23S rRNA.

  9. A generalized Wigner function for quantum systems with the SU(2) dynamical symmetry group

    International Nuclear Information System (INIS)

    Klimov, A B; Romero, J L

    2008-01-01

    We introduce a Wigner-like quasidistribution function to describe quantum systems with the SU(2) dynamic symmetry group. This function is defined in a three-dimensional group manifold and can be used to represent the states defined in several SU(2) invariant subspaces. The explicit differential Moyal-like form of the star product is found and analyzed in the semiclassical limit

  10. Plant-soil feedbacks: role of plant functional group and plant traits

    NARCIS (Netherlands)

    Cortois, R.; Schröder-Georgi, T.; Weigelt, A.; van der Putten, W.H.; De Deyn, G.B.

    2016-01-01

    Plant-soil feedback (PSF), plant trait and functional group concepts advanced our understanding of plant community dynamics, but how they are interlinked is poorly known. To test how plant functional groups (FGs: graminoids, small herbs, tall herbs, legumes) and plant traits relate to PSF, we grew

  11. Fish functional groups in a tropical wetland of the Yucatan Peninsula, Mexico

    Directory of Open Access Journals (Sweden)

    Fernando Córdova-Tapia

    Full Text Available ABSTRACT The characterization of species' functional traits is a major step in the understanding and description of communities in natural habitats. The classification of species into functional groups is a useful tool to identify redundancy and uniqueness. We studied the fish community of a pristine freshwater wetland in the Sian Ka'an Biosphere Reserve by analysing two multidimensional functions: food acquisition and locomotion. We investigated changes in the functional group structure between habitats (permanent and temporary pools and seasons (dry and wet. Six functional groups with different ecological characteristics were detected, two of which had high functional redundancy and three of them were represented by single species with unique ecological functions. In permanent pools during the dry season, functional group richness and diversity were lower, while evenness was higher. During the wet season, all functional groups were detected and similar functional group structure was found between habitats. These results suggest an effect of environmental filtering during the dry season and niche complementarity during the wet season.

  12. Calculating the knowledge-based similarity of functional groups using crystallographic data

    Science.gov (United States)

    Watson, Paul; Willett, Peter; Gillet, Valerie J.; Verdonk, Marcel L.

    2001-09-01

    A knowledge-based method for calculating the similarity of functional groups is described and validated. The method is based on experimental information derived from small molecule crystal structures. These data are used in the form of scatterplots that show the likelihood of a non-bonded interaction being formed between functional group A (the `central group') and functional group B (the `contact group' or `probe'). The scatterplots are converted into three-dimensional maps that show the propensity of the probe at different positions around the central group. Here we describe how to calculate the similarity of a pair of central groups based on these maps. The similarity method is validated using bioisosteric functional group pairs identified in the Bioster database and Relibase. The Bioster database is a critical compilation of thousands of bioisosteric molecule pairs, including drugs, enzyme inhibitors and agrochemicals. Relibase is an object-oriented database containing structural data about protein-ligand interactions. The distributions of the similarities of the bioisosteric functional group pairs are compared with similarities for all the possible pairs in IsoStar, and are found to be significantly different. Enrichment factors are also calculated showing the similarity method is statistically significantly better than random in predicting bioisosteric functional group pairs.

  13. Biogeographical boundaries, functional group structure and diversity of Rocky Shore communities along the Argentinean coast.

    Directory of Open Access Journals (Sweden)

    Evie A Wieters

    Full Text Available We investigate the extent to which functional structure and spatial variability of intertidal communities coincide with major biogeographical boundaries, areas where extensive compositional changes in the biota are observed over a limited geographic extension. We then investigate whether spatial variation in the biomass of functional groups, over geographic (10's km and local (10's m scales, could be associated to species diversity within and among these groups. Functional community structure expressed as abundance (density, cover and biomass and composition of major functional groups was quantified through field surveys at 20 rocky intertidal shores spanning six degrees of latitude along the southwest Atlantic coast of Argentina and extending across the boundaries between the Argentinean and Magellanic Provinces. Patterns of abundance of individual functional groups were not uniformly matched with biogeographical regions. Only ephemeral algae showed an abrupt geographical discontinuity coincident with changes in biogeographic boundaries, and this was limited to the mid intertidal zone. We identified 3-4 main 'groups' of sites in terms of the total and relative abundance of the major functional groups, but these did not coincide with biogeographical boundaries, nor did they follow latitudinal arrangement. Thus, processes that determine the functional structure of these intertidal communities are insensitive to biogeographical boundaries. Over both geographical and local spatial scales, and for most functional groups and tidal levels, increases in species richness within the functional group was significantly associated to increased total biomass and reduced spatial variability of the group. These results suggest that species belonging to the same functional group are sufficiently uncorrelated over space (i.e. metres and site-to-site to stabilize patterns of biomass variability and, in this manner, provide a buffer, or "insurance", against

  14. TRANSVERSELY POLARIZED Λ PRODUCTION

    International Nuclear Information System (INIS)

    BORER, D.

    2000-01-01

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

  15. Distribution of convection potential around the polar cap boundary as a function of the interplanetary magnetic field

    International Nuclear Information System (INIS)

    Lu, G.; Reiff, P.H.; Karty, J.L.; Hairston, M.R.; Heelis, R.A.

    1989-01-01

    Plasma flow data from the AE-C, AE-D and DE 2 satellites have been used to systematically study the distribution of the convection potential around the polar cap boundary under a variety of different interplanetary magnetic field (IMF) conditions. For either a garden hose (B x B y x B y >0) orientation of the IMF, the potential distribution is mainly affected by the sign of B y . In the northern hemisphere, the zero potential line (which separates the dusk convection cell from the dawn cell) on the dayside shifts duskward as B y changes from positive to negative. But in the southern hemisphere, a dawnward shift has been found, although the uncertainties are large. The typical range of displacement is about ±1.5 hours MLT. Note that this shift is in the opposite direction from most simple schematic models of ionospheric flow; this reflects the fact that the polar cap boundary is typically more poleward than the flow reversal associated with the region 1 current system, which shifts in the opposite direction. Thus the enhanced flow region typically crosses noon. In most cases a sine wave is an adequate representation of the distribution of potential around the boundary. However, in a few cases the data favors (at the 80% confidence level) a steeper gradient near noon, more indicative of a throat. The potential drop at the duskside boundary is almost greater than at the dawnside boundary. A slight duskward shift of the patterns observed as the IMF changes from garden hose to ortho-garden hose conditions. Analytic equipotential contours, given the potential function as a boundary condition, are constructed for several IMF conditions

  16. The Effectiveness of Transactional Analysis Group-counseling on the Improvement of Couples’ Family Functioning

    Directory of Open Access Journals (Sweden)

    Ghorban Ali Yahyaee

    2015-06-01

    Full Text Available Background & Aims of the Study: Family functioning is among the most important factors ensuring the mental health of family members. Disorder or disturbance in family functioning would cause many psychological problems for family members. Current study intended to examine the effectiveness of transactional analysis group counseling on the improvement of couple's family functioning. Materials & Methods: The design of the study is as semi experimental research with pretest and posttest with follow up and control group. Statistical population consists all couples referring to the psychological and counseling centers of Rasht city in 2012. Samples were selected at first by available sampling method and after completing family assessment  device, and obtaining score for enter to research, were placement using random sampling method in two experimental and control groups (N = 8 couples per group. The experimental group participated in 12 sessions of group counseling based on transactional analysis and control group received no intervention. The gathered data were analyzed using covariance analysis. Results: The results show that there are significant differences between the pre-test and post test scores of the experimental group. This difference is significant at the level of 0.05. Therefore it seems that transactional group therapy improved the dimensions of family functioning in couples. Conclusions: The results indicated that transactional analysis group counseling can improve the family functioning and use this approach to working with couples is recommended.

  17. Nest Digging by Leaf-Cutting Ants: Effect of Group Size and Functional Structures

    Directory of Open Access Journals (Sweden)

    Roberto da Silva Camargo

    2012-01-01

    Full Text Available Leaf-cutting ant workers dig underground chambers, for housing their symbiotic fungus, interconnected by a vast quantity of tunnels whose function is to permit the entrance of food (leaves, gaseous exchanges, and movement of workers, offspring, and the queen. Digging is a task executed by a group of workers, but little is known about the group effect and group-constructed functional structures. Thus, we analyzed the structures formed by worker groups (5, 10, 20, and 40 individuals of the leaf-cutting ant, Atta sexdens rubropilosa, for 2 days of excavation. The digging arena was the same for the 4 groups, with each group corresponding to a different density. Our results verified a pattern of tunneling by the workers, but no chamber was constructed. The group effect is well known, since the 40-worker group dug significantly more than the groups of 5, 10, and 20. These groups did not differ statistically from each other. Analysis of load/worker verified that workers of the smallest group carried the greatest load. Our paper demonstrates the group effect on the digging of nests, namely, that excavation is proportional to group size, but without emergence of a functional structure such as a chamber.

  18. Functional group quantification of polymer nanomembranes with soft x-rays

    Science.gov (United States)

    Sunday, Daniel F.; Chan, Edwin P.; Orski, Sara V.; Nieuwendaal, Ryan C.; Stafford, Christopher M.

    2018-03-01

    Polyamide nanomembranes are at the heart of water desalination, a process which plays a critical role in clean water production. Improving their efficiency requires a better understanding of the relationship between chemistry, network structure, and performance but few techniques afford compositional information in ultrathin films (reference materials to establish quantitative relationships between changes in the optical constants and functional group density, and then use the results to evaluate the functional group concentrations of polyamide nanomembranes. We demonstrate that the difference in the amide carbonyl and carboxylic acid group concentrations can be used to calculate the crosslink density, which is shown to vary significantly across three different polyamide chemistries. A clear relationship is established between the functional group density and the permselectivity (α ), indicating that more densely crosslinked materials result in a higher α of the nanomembranes. Finally, measurements on a polyamide/poly(acrylic acid) bilayer demonstrate the ability of this approach to quantify depth-dependent functional group concentrations in thin films.

  19. Facile fabrication of siloxane @ poly (methylacrylic acid) core-shell microparticles with different functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Zheng-Bai; Tai, Li; Zhang, Da-Ming; Jiang, Yong, E-mail: yj@seu.edu.cn [Southeast University, School of Chemistry and Chemical Engineering (China)

    2017-02-15

    Siloxane @ poly (methylacrylic acid) core-shell microparticles with functional groups were prepared by a facile hydrolysis-condensation method in this work. Three different silane coupling agents 3-methacryloxypropyltrimethoxysilane (MPS), 3-triethoxysilylpropylamine (APTES), and 3-glycidoxypropyltrimethoxysilane (GPTMS) were added along with tetraethoxysilane (TEOS) into the polymethylacrylic acid (PMAA) microparticle ethanol dispersion to form the Si@PMAA core-shell microparticles with different functional groups. The core-shell structure and the surface special functional groups of the resulting microparticles were measured by transmission electron microscopy and FTIR. The sizes of these core-shell microparticles were about 350–400 nm. The corresponding preparation conditions and mechanism were discussed in detail. This hydrolysis-condensation method also could be used to functionalize other microparticles which contain active groups on the surface. Meanwhile, the Si@PMAA core-shell microparticles with carbon-carbon double bonds and amino groups have further been applied to prepare hydrophobic coatings.

  20. Facile fabrication of siloxane @ poly (methylacrylic acid) core-shell microparticles with different functional groups

    International Nuclear Information System (INIS)

    Zhao, Zheng-Bai; Tai, Li; Zhang, Da-Ming; Jiang, Yong

    2017-01-01

    Siloxane @ poly (methylacrylic acid) core-shell microparticles with functional groups were prepared by a facile hydrolysis-condensation method in this work. Three different silane coupling agents 3-methacryloxypropyltrimethoxysilane (MPS), 3-triethoxysilylpropylamine (APTES), and 3-glycidoxypropyltrimethoxysilane (GPTMS) were added along with tetraethoxysilane (TEOS) into the polymethylacrylic acid (PMAA) microparticle ethanol dispersion to form the Si@PMAA core-shell microparticles with different functional groups. The core-shell structure and the surface special functional groups of the resulting microparticles were measured by transmission electron microscopy and FTIR. The sizes of these core-shell microparticles were about 350–400 nm. The corresponding preparation conditions and mechanism were discussed in detail. This hydrolysis-condensation method also could be used to functionalize other microparticles which contain active groups on the surface. Meanwhile, the Si@PMAA core-shell microparticles with carbon-carbon double bonds and amino groups have further been applied to prepare hydrophobic coatings.

  1. Group Theory of Wannier Functions Providing the Basis for a Deeper Understanding of Magnetism and Superconductivity

    Directory of Open Access Journals (Sweden)

    Ekkehard Krüger

    2015-05-01

    Full Text Available The paper presents the group theory of optimally-localized and symmetry-adapted Wannier functions in a crystal of any given space group G or magnetic group M. Provided that the calculated band structure of the considered material is given and that the symmetry of the Bloch functions at all of the points of symmetry in the Brillouin zone is known, the paper details whether or not the Bloch functions of particular energy bands can be unitarily transformed into optimally-localized Wannier functions symmetry-adapted to the space group G, to the magnetic group M or to a subgroup of G or M. In this context, the paper considers usual, as well as spin-dependent Wannier functions, the latter representing the most general definition of Wannier functions. The presented group theory is a review of the theory published by one of the authors (Ekkehard Krüger in several former papers and is independent of any physical model of magnetism or superconductivity. However, it is suggested to interpret the special symmetry of the optimally-localized Wannier functions in the framework of a nonadiabatic extension of the Heisenberg model, the nonadiabatic Heisenberg model. On the basis of the symmetry of the Wannier functions, this model of strongly-correlated localized electrons makes clear predictions of whether or not the system can possess superconducting or magnetic eigenstates.

  2. Variation of phytoplankton functional groups modulated by hydraulic controls in Hongze Lake, China.

    Science.gov (United States)

    Tian, Chang; Pei, Haiyan; Hu, Wenrong; Hao, Daping; Doblin, Martina A; Ren, Ying; Wei, Jielin; Feng, Yawei

    2015-11-01

    Hongze Lake is a large, shallow, polymictic, eutrophic lake in the eastern China. Phytoplankton functional groups in this lake were investigated from March 2011 to February 2013, and a comparison was made between the eastern, western, and northern regions. The lake shows strong fluctuations in water level caused by monsoon rains and regular hydraulic controls. By application of the phytoplankton functional group approach, this study aims to investigate the spatial and temporal dynamics and analyze their influencing factors. Altogether, 18 functional groups of phytoplankton were identified, encompassing 187 species. In order to seek the best variable describing the phytoplankton functional group distribution, 14 of the groups were analyzed in detail using redundancy analysis. Due to the turbid condition of the lake, the dominant functional groups were those tolerant of low light. The predominant functional groups in the annual succession were D (Cyclotella spp. and Synedra acus), T (Planctonema lauterbornii), P (Fragilaria crotonensis), X1 (Chlorella vulgaris and Chlorella pyrenoidosa), C (Cyclotella meneghiniana and Cyclotella ocellata), and Y (Cryptomonas erosa). An opposite relationship between water level and the biomass of predominant groups was observed in the present study. Water level fluctuations, caused by monsoonal climate and artificial drawdown, were significant factors influencing phytoplankton succession in Hongze Lake, since they alter the hydrological conditions and influence light and nutrient availability. The clearly demonstrated factors, which significantly influence phytoplankton dynamics in Hongze Lake, will help government manage the large shallow lakes with frequent water level fluctuations.

  3. Solubility studies of inorganic–organic hybrid nanoparticle photoresists with different surface functional groups

    KAUST Repository

    Li, Li

    2016-01-01

    © 2016 The Royal Society of Chemistry. The solubility behavior of Hf and Zr based hybrid nanoparticles with different surface ligands in different concentrations of photoacid generator as potential EUV photoresists was investigated in detail. The nanoparticles regardless of core or ligand chemistry have a hydrodynamic diameter of 2-3 nm and a very narrow size distribution in organic solvents. The Hansen solubility parameters for nanoparticles functionalized with IBA and 2MBA have the highest contribution from the dispersion interaction than those with tDMA and MAA, which show more polar character. The nanoparticles functionalized with unsaturated surface ligands showed more apparent solubility changes after exposure to DUV than those with saturated ones. The solubility differences after exposure are more pronounced for films containing a higher amount of photoacid generator. The work reported here provides material selection criteria and processing strategies for the design of high performance EUV photoresists.

  4. Functional group diversity is key to Southern Ocean benthic carbon pathways.

    Directory of Open Access Journals (Sweden)

    David K A Barnes

    Full Text Available High latitude benthos are globally important in terms of accumulation and storage of ocean carbon, and the feedback this is likely to have on regional warming. Understanding this ecosystem service is important but difficult because of complex taxonomic diversity, history and geography of benthic biomass. Using South Georgia as a model location (where the history and geography of benthic biology is relatively well studied we investigated whether the composition of functional groups were critical to benthic accumulation, immobilization and burial pathway to sequestration-and also aid their study through simplification of identification. We reclassified [1], [2] morphotype and carbon mass data to 13 functional groups, for each sample of 32 sites around the South Georgia continental shelf. We investigated the influence on carbon accumulation, immobilization and sequestration estimate by multiple factors including the compositions of functional groups. Functional groups showed high diversity within and between sites, and within and between habitat types. Carbon storage was not linked to a functional group in particular but accumulation and immobilization increased with the number of functional groups present and the presence of hard substrata. Functional groups were also important to carbon burial rate, which increased with the presence of mixed (hard and soft substrata. Functional groups showed high surrogacy for taxonomic composition and were useful for examining contrasting habitat categorization. Functional groups not only aid marine carbon storage investigation by reducing time and the need for team size and speciality, but also important to benthic carbon pathways per se. There is a distinct geography to seabed carbon storage; seabed boulder-fields are hotspots of carbon accumulation and immobilization, whilst the interface between such boulder-fields and sediments are key places for burial and sequestration.

  5. Functional outcomes of inpatient rehabilitation in very elderly patients with stroke: differences across three age groups.

    Science.gov (United States)

    Mutai, Hitoshi; Furukawa, Tomomi; Wakabayashi, Ayumi; Suzuki, Akihito; Hanihara, Tokiji

    2018-05-01

    Background As the population continues to age rapidly, clarifying the factors affecting the prognosis in very elderly stroke patients is essential to enhance the quality of their rehabilitation. Objectives To compare the functional recovery of elderly stroke patients classified into three age groups and to identify the predictors of functional recovery in the very elderly following acute inpatient rehabilitation. Methods Observational study: We collected data on 461 stroke patients in the neurology and neurosurgery ward and classified them into three age groups (65-74, 75-84, and ≥ 85 years). Functional recovery was compared among groups using the functional independence measure (FIM) at discharge and ADL recovery rate was compared using the Montebello rehabilitation factor score (MRFS). Multiple regression analysis was used to identify and compare the factors associated with functional recovery in each age group. Results Functional recovery in the ≥ 85 years group was lower than that in other age groups. Factors associated with activities of daily living (ADL) status (FIM at discharge) in the ≥ 85 years group were premorbid dependence (β = -0.183, p = 0.011), motor paralysis (β = -0.238, p = 0.001), and cognitive function (β = 0.586, p age increased. Factors associated with ADL recovery rates (MRFS) in the ≥ 85 years group were non-paretic limb function (β = -0.294, p = 0.004) and cognitive function (β = 0.201, p = 0.047). Conclusions This study identified the factors associated with functional recovery among very elderly stroke patients. Effective forms of rehabilitation for very elderly stroke patients that take these factors into consideration need to be investigated.

  6. Anisotropy of the nitrogen conduction states in the group III nitrides studied by polarized x-ray absorption

    International Nuclear Information System (INIS)

    Lawniczak-Jablonska, K.; Liliental-Weber, Z.; Gullikson, E.M.

    1997-01-01

    Group III nitrides (AlN, GaN, and InN) consist of the semiconductors which appear recently as a basic materials for optoelectronic devices active in the visible/ultraviolet spectrum as well as high-temperature and high-power microelectronic devices. However, understanding of the basic physical properties leading to application is still not satisfactory. One of the reasons consists in unsufficient knowledge of the band structure of the considered semiconductors. Several theoretical studies of III-nitrides band structure have been published but relatively few experimental studies have been carried out, particularly with respect to their conduction band structure. This motivated the authors to examine the conduction band structure projected onto p-states of the nitrogen atoms for AlN, GaN and InN. An additional advantage of their studies is the availability of the studied nitrides in two structures, hexagonal (wurtzite) and cubic (zincblende). This offers an opportunity to gain information about the role of the anisotropy of electronic band states in determining various physical properties

  7. Anisotropy of the nitrogen conduction states in the group III nitrides studied by polarized x-ray absorption

    Energy Technology Data Exchange (ETDEWEB)

    Lawniczak-Jablonska, K. [Lawrence Berkeley National Lab., CA (United States)]|[Institute of Physics, Warsaw (Poland); Liliental-Weber, Z.; Gullikson, E.M. [Lawrence Berkeley National Lab., CA (United States)] [and others

    1997-04-01

    Group III nitrides (AlN, GaN, and InN) consist of the semiconductors which appear recently as a basic materials for optoelectronic devices active in the visible/ultraviolet spectrum as well as high-temperature and high-power microelectronic devices. However, understanding of the basic physical properties leading to application is still not satisfactory. One of the reasons consists in unsufficient knowledge of the band structure of the considered semiconductors. Several theoretical studies of III-nitrides band structure have been published but relatively few experimental studies have been carried out, particularly with respect to their conduction band structure. This motivated the authors to examine the conduction band structure projected onto p-states of the nitrogen atoms for AlN, GaN and InN. An additional advantage of their studies is the availability of the studied nitrides in two structures, hexagonal (wurtzite) and cubic (zincblende). This offers an opportunity to gain information about the role of the anisotropy of electronic band states in determining various physical properties.

  8. Unique determination of the effective potential in terms of renormalization group functions

    International Nuclear Information System (INIS)

    Chishtie, F. A.; Hanif, T.; McKeon, D. G. C.; Steele, T. G.

    2008-01-01

    The perturbative effective potential V in the massless λφ 4 model with a global O(N) symmetry is uniquely determined to all orders by the renormalization group functions alone when the Coleman-Weinberg renormalization condition (d 4 V/dφ 4 )| φ=μ =λ is used, where μ represents the renormalization scale. Systematic methods are developed to express the n-loop effective potential in the Coleman-Weinberg scheme in terms of the known n-loop minimal-subtraction (MS) renormalization group functions. Moreover, it also proves possible to sum the leading- and subsequent-to-leading-logarithm contributions to V. An essential element of this analysis is a conversion of the renormalization group functions in the Coleman-Weinberg scheme to the renormalization group functions in the MS scheme. As an example, the explicit five-loop effective potential is obtained from the known five-loop MS renormalization group functions and we explicitly sum the leading-logarithm, next-to-leading-logarithm, and further subleading-logarithm contributions to V. Extensions of these results to massless scalar QED are also presented. Because massless scalar QED has two couplings, conversion of the renormalization group functions from the MS scheme to the Coleman-Weinberg scheme requires the use of multiscale renormalization group methods.

  9. Group-ICA model order highlights patterns of functional brain connectivity

    Directory of Open Access Journals (Sweden)

    Ahmed eAbou Elseoud

    2011-06-01

    Full Text Available Resting-state networks (RSNs can be reliably and reproducibly detected using independent component analysis (ICA at both individual subject and group levels. Altering ICA dimensionality (model order estimation can have a significant impact on the spatial characteristics of the RSNs as well as their parcellation into sub-networks. Recent evidence from several neuroimaging studies suggests that the human brain has a modular hierarchical organization which resembles the hierarchy depicted by different ICA model orders. We hypothesized that functional connectivity between-group differences measured with ICA might be affected by model order selection. We investigated differences in functional connectivity using so-called dual-regression as a function of ICA model order in a group of unmedicated seasonal affective disorder (SAD patients compared to normal healthy controls. The results showed that the detected disease-related differences in functional connectivity alter as a function of ICA model order. The volume of between-group differences altered significantly as a function of ICA model order reaching maximum at model order 70 (which seems to be an optimal point that conveys the largest between-group difference then stabilized afterwards. Our results show that fine-grained RSNs enable better detection of detailed disease-related functional connectivity changes. However, high model orders show an increased risk of false positives that needs to be overcome. Our findings suggest that multilevel ICA exploration of functional connectivity enables optimization of sensitivity to brain disorders.

  10. Ion-selective electrodes in organic elemental and functional group analysis: a review

    International Nuclear Information System (INIS)

    Selig, W.

    1977-01-01

    The literature on the use of ion-selective electrodes in organic elemental and functional group analysis is surveyed in some detail. The survey is complete through Chemical Abstracts, Vol. 83 (1975). 40 figures, 52 tables, 236 references

  11. Species, functional groups, and habitat preferences of birds in five agroforestry classes in Tabasco, Mexico

    NARCIS (Netherlands)

    Wal, van der J.C.; Peña-Álvarez, B.; Arriaga-Weiss, S.L.; Hernández-Daumás, S.

    2012-01-01

    We studied species, functional groups, and habitat preferences of birds in five classes of agroforestry systems: agroforests, animal agroforestry, linear agroforestry, sequential agroforestry, and crops under tree cover in Tabasco, Mexico. Sampling sites were >2 km from natural forest fragments.

  12. Ion-selective electrodes in organic elemental and functional group analysis: a review

    Energy Technology Data Exchange (ETDEWEB)

    Selig, W.

    1977-11-08

    The literature on the use of ion-selective electrodes in organic elemental and functional group analysis is surveyed in some detail. The survey is complete through Chemical Abstracts, Vol. 83 (1975). 40 figures, 52 tables, 236 references.

  13. Effects of group exercise on functional abilities: Differences between physically active and physically inactive women.

    Science.gov (United States)

    Cokorilo, Nebojsa; Mikalacki, Milena; Satara, Goran; Cvetkovic, Milan; Marinkovic, Dragan; Zvekic-Svorcan, Jelena; Obradovic, Borislav

    2018-03-30

    Aerobic exercises to music can have a positive effect on functional and motor skills of an exerciser, their health, as well as an aesthetic and socio-psychological component. The objective of this study was to determine the effects of reactive exercising in a group on functional capabilities in physically active and physically inactive women. A prospective study included 64 healthy women aged 40-60 years. The sample was divided into the experimental group (n= 36), i.e. physically active women who have been engaged in recreational group exercises at the Faculty of Sport and Physical Education, University of Novi Sad, Serbia, and the control group (n= 28), which consisted of physically inactive women. All the participants were monitored using the same protocol before and after the implementation of the research. All women had their height, weight, body mass index measured as well as spiroergometric parameters determined according to the Bruce protocol. A univariate analysis of variance has shown that there is a statistically significant difference between the experimental group and the control group in maximum speed, the total duration of the test, relative oxygen consumption, absolute oxygen consumption and ventilation during the final measurement. After the training intervention, the experimental group showed improvements in all the parameters analyzed compared with pretest values. The recreational group exercise model significantly improves aerobic capacity and functioning of the cardiovascular system. Therefore, it is essential for women to be involved more in any form of recreational group exercising in order to improve functional capacity and health.

  14. Evaluation of group A1B erythrocytes converted to type as group O: studies of markers of function and compatibility

    Science.gov (United States)

    Gao, Hong-Wei; Zhuo, Hai-Long; Zhang, Xue; Ji, Shou-Ping; Tan, Ying-Xia; Li, Su-Bo; Jia, Yan-Jun; Xu, Hua; Wu, Qing-Fa; Yun, Zhi-Min; Luo, Qun; Gong, Feng

    2016-01-01

    Background Enzymatic conversion of blood group A1B red blood cells (RBC) to group O RBC (ECO) was achieved by combined treatment with α-galactosidase and α-N-acetylgalactosaminidase. The aim of this study was to evaluate the function and safety of these A1B-ECO RBC in vitro. Materials and methods A 20% packed volume of A1B RBC was treated with enzymes in 250 mM glycine buffer, pH 6.8. The efficiency of the conversion of A and B antigen was evaluated by traditional typing in test tubes, gel column agglutination technology and fluorescence-activated cell sorting (FACS) analysis. The physiological and metabolic parameters of native and ECO RBC were compared, including osmotic fragility, erythrocyte deformation index, levels of 2,3-diphosphoglycerate, ATP, methaemoglobin, free Na+, and free K+. The morphology of native and ECO RBC was observed by scanning electron microscopy. Residual α-galactosidase or α-N-acetylgalactosaminidase in A1B-ECO RBC was detected by double-antibody sandwich ELISA method. Manual cross-matching was applied to ensure blood compatibility. Results The RBC agglutination tests and FACS results showed that A1B RBC were efficiently converted to O RBC. Functional analysis suggested that the conversion process had little impact on the physiological and metabolic parameters of the RBC. The residual amounts of either α-galactosidase or α-N-acetylgalactosaminidase in the A1B-ECO RBC were less than 10 ng/mL of packed RBC. About 18% of group B and 55% of group O sera reacted with the A1B-ECO RBC in a sensitive gel column cross-matching test. Discussion The conversion process does not appear to affect the morphological, physiological or metabolic parameters of A1B-ECO RBC. However, the A1B-ECO RBC still reacted with some antigens. More research on group O and B sera, which may partly reflect the complexity of group A1 the safety of A1B-ECO RBC is necessary before the application of these RBC in clinical transfusion. PMID:26509826

  15. The visibility function and its effect on the observed characteristics of sunspot groups. 1

    International Nuclear Information System (INIS)

    Kopecky, M.; Kuklin, G.V.; Starkova, I.P.

    1985-01-01

    The paper is an introductory study to a series dealing with the visibility function, the function of foreshortening of sunspot group areas, and with the effect of these functions on the results of the statistical processing of observations, which has to be taken into account in interpreting the results. A ''diagram of observational conditions'' is described, which enables a number of statistical problems of sunspot groups on the rotating Sun to be solved by computer modelling or by graphical methods. Examples are given of the use of this diagram in studying the distribution of the observed lifetime of sunspot groups with a given actual lifetime, of the decrease in the number of sunspot groups towards the limb of the solar disc, of the east-west asymmetry of sunspot group appearance and disappearance. (author)

  16. Quantitative determination of acidic groups in functionalized graphene by direct titration

    Czech Academy of Sciences Publication Activity Database

    Ederer, J.; Janoš, P.; Ecorchard, Petra; Štengl, Václav; Bělčická, Zuzana; Šťastný, Martin; Pop-Georgievski, Ognen; Dohnal, V.

    2016-01-01

    Roč. 103, JUN (2016), s. 44-53 ISSN 1381-5148 R&D Projects: GA ČR(CZ) GA14-05146S Institutional support: RVO:61388980 ; RVO:61389013 Keywords : Acid-base titration * Carboxylic functional groups * Graphene oxide * Phenolic functional groups * Proton-binding model Subject RIV: CA - Inorganic Chemistry ; CD - Macromolecular Chemistry (UMCH-V) Impact factor: 3.151, year: 2016

  17. On the possibility of localizing of electron group functions using the notion of antisymmetrical orthogonality

    International Nuclear Information System (INIS)

    Puchin, V.E.; Zapol, B.P.

    1990-11-01

    The authors try to solve the following problems: provided that variation freedom is not restricted and intragroup correlation is taken into account in a given approximation, is it possible to develop for group functions any analogue of the well known (in the case of orbitals) Adams-Gilbert-Kunz method that could give one a possibility to go from delocalized group functions to localized ones seeking for minimization of the intergroup correlation? 20 refs, 1 tab

  18. Linking Keystone Species and Functional Groups: A New Operational Definition of the Keystone Species Concept

    OpenAIRE

    Robert D. Davic

    2003-01-01

    The concept of the "keystone species" is redefined to allow for the a priori prediction of these species within ecosystems. A keystone species is held to be a strongly interacting species whose top-down effect on species diversity and competition is large relative to its biomass dominance within a functional group. This operational definition links the community importance of keystone species to a specific ecosystem process, e.g., the regulation of species diversity, within functional groups ...

  19. Polarization Dependent Bulk-sensitive Valence Band Photoemission Spectroscopy and Density Functional Theory Calculations: Part I. 3d Transition Metals

    Science.gov (United States)

    Ueda, Shigenori; Hamada, Ikutaro

    2017-12-01

    The X-ray polarization dependent valence band HAXPES spectra of 3d transition metals (TMs) of Ti-Zn were measured to investigate the orbital resolved electronic structures by utilizing that the fact the photoionization cross-section of the atomic orbitals strongly depends on the experimental geometry. We have calculated the HAXPES spectra, which correspond to the cross-section weighted densities of states (CSW-DOSs), where the DOSs were obtained by the density functional theory calculations, and we have determined the relative photoionization cross-sections of the 4s and 4p orbitals to the 3d orbital in the 3d TMs. The experimentally obtained bulk-sensitive 3d and 4s DOSs were good agreement with the calculated DOSs in Ti, V, Cr, and Cu. In contrast, the deviations between the experimental and calculated 3d DOSs for Mn, Fe, Co, Ni were found, suggesting that the electron correlation plays an important role in the electronic structures for these materials.

  20. Novel neuroprotective function of apical-basal polarity gene crumbs in amyloid beta 42 (aβ42 mediated neurodegeneration.

    Directory of Open Access Journals (Sweden)

    Andrew M Steffensmeier

    Full Text Available Alzheimer's disease (AD, OMIM: 104300, a progressive neurodegenerative disorder with no cure to date, is caused by the generation of amyloid-beta-42 (Aβ42 aggregates that trigger neuronal cell death by unknown mechanism(s. We have developed a transgenic Drosophila eye model where misexpression of human Aβ42 results in AD-like neuropathology in the neural retina. We have identified an apical-basal polarity gene crumbs (crb as a genetic modifier of Aβ42-mediated-neuropathology. Misexpression of Aβ42 caused upregulation of Crb expression, whereas downregulation of Crb either by RNAi or null allele approach rescued the Aβ42-mediated-neurodegeneration. Co-expression of full length Crb with Aβ42 increased severity of Aβ42-mediated-neurodegeneration, due to three fold induction of cell death in comparison to the wild type. Higher Crb levels affect axonal targeting from the retina to the brain. The structure function analysis identified intracellular domain of Crb to be required for Aβ42-mediated-neurodegeneration. We demonstrate a novel neuroprotective role of Crb in Aβ42-mediated-neurodegeneration.

  1. Restoration using Azolla imbricata increases nitrogen functional bacterial groups and genes in soil.

    Science.gov (United States)

    Lu, Xiao-Ming; Lu, Peng-Zhen; Yang, Ke

    2017-05-01

    Microbial groups are major factors that influence soil function. Currently, there is a lack of studies on microbial functional groups. Although soil microorganisms play an important role in the nitrogen cycle, systematic studies of the effects of environmental factors on microbial populations in relation to key metabolic processes in the nitrogen cycle are seldom reported. In this study, we conducted a systematic analysis of the changes in nitrogen functional groups in mandarin orange garden soil treated with Azolla imbricata. The structures of the major functional bacterial groups and the functional gene abundances involved in key processes of the soil nitrogen cycle were analyzed using high-throughput sequencing (HTS) and quantitative real-time PCR, respectively. The results indicated that returning A. imbricata had an important influence on the composition of soil nitrogen functional bacterial communities. Treatment with A. imbricata increased the diversity of the nitrogen functional bacteria. The abundances of nitrogen functional genes were significantly higher in the treated soil compared with the control soil. Both the diversity of the major nitrogen functional bacteria (nifH bacteria, nirK bacteria, and narG bacteria) and the abundances of nitrogen functional genes in the soil showed significant positive correlations with the soil pH, the organic carbon content, available nitrogen, available phosphorus, and NH 4 + -N and NO 3 - -N contents. Treatment with 12.5 kg fresh A. imbricata per mandarin orange tree was effective to improve the quality of the mandarin orange garden soil. This study analyzed the mechanism of the changes in functional bacterial groups and genes involved in key metabolic processes of the nitrogen cycle in soil treated by A. imbricata.

  2. [Effect of obesity on pulmonary function in asthmatic children of different age groups].

    Science.gov (United States)

    Xu, Xiao-Wen; Huang, Ying; Wang, Jian; Zhang, Xue-Li; Liang, Fan-Mei; Luo, Rong

    2017-05-01

    To study the effect of obesity on pulmonary function in newly diagnosed asthmatic children of different age groups. Two hundred and ninety-four children with newly diagnosed asthma were classified into preschool-age (age (6 to 12.5 years) groups. They were then classified into obese, overweight, and normal-weight subgroups based on their body mass index (BMI). All the children underwent pulmonary function tests, including large airway function tests [forced vital capacity (FVC%) and forced expiratory volume in one second (FEV1%)] and small airway function tests [maximal expiratory flow at 25% of vital capacity (MEF25%), maximal expiratory flow at 50% of vital capacity (MEF50%), and maximal expiratory flow at 75% of vital capacity (MEF75%)]. The school-age group showed lower FEV1%, MEF25%, and MEF50% than the preschool-age group (Page group had lower FEV1%, MEF25%, and MEF50% compared with their counterparts in the preschool-age group (Page group showed lower FVC% and MEF50% than those in the preschool-age group. However, all the pulmonary function parameters showed no significant differences between the obese children in the preschool-age and school-age groups. In the preschool-age group, FVC%, FEV1%, and MEF75% of the obese children were lower than those of the normal-weight children. In the school-age group, only FVC% and FEV1% showed differences between the obese and normal-weight children (Page in children with asthma, and the effect is more obvious in those of preschool age.

  3. Overview on the Surface Functionalization Mechanism and Determination of Surface Functional Groups of Plasma Treated Carbon Nanotubes.

    Science.gov (United States)

    Saka, Cafer

    2018-01-02

    The use of carbon materials for many applications is due to the unique diversity of structures and properties ranging from chemical bonds between the carbon atoms of the materials to nanostructures, crystallite alignment, and microstructures. Carbon nanotubes and other nanoscale carbonaceous materials draw much attention due to their physical and chemical properties, such as high strength, high resistance to corrosion, electrical and thermal conductivity, stability and a qualified adsorbent. Carbon-based nanomaterials, which have a relatively large specific area and layered structure, can be used as an adsorbent for efficient removal of organic and inorganic contaminants. However, one of the biggest obstacles to the development of carbon-based nanomaterials adsorbents is insolubility and the lack of functional groups on the surface. There are several approaches to introduce functional groups on carbon nanotubes. One of these approaches, plasma applications, now has an important place in the creation of surface functional groups as a flexible, fast, and environmentally friendly method. This review focuses on recent information concerning the surface functionalization and modification of plasma treated carbon nanotube. This review considers the surface properties, advantages, and disadvantages of plasma-applied carbon nanotubes. It also examines the reaction mechanisms involved in the functional groups on the surface.

  4. Group Therapy for Improving Self-Esteem and Social Functioning of College Students with ADHD

    Science.gov (United States)

    Shaikh, Ayesha

    2018-01-01

    The present study examined the effectiveness of interpersonal group therapy designed to improve self-esteem and social functioning in college students with Attention-Deficit/Hyperactivity Disorder (ADHD). Participants with documented ADHD diagnoses completed self-report measures of self-esteem and social functioning at the initiation of the study,…

  5. The impact of attitude functions on luxury brand consumption: An age-based group comparison

    NARCIS (Netherlands)

    Schade, Michael; Hegner, Sabrina; Hegner, Sabrina; Horstmann, Florian; Brinkmann, Nora

    2016-01-01

    The main purpose of this study is to understand the consumption of luxury brands in different age groups. Attitude functions (social-adjustive, value-expressive, hedonic, utilitarian) explain luxury brand consumption among three age groups. A total of 297 respondents between the age of 16 and 59

  6. Sub-grouping and sub-functionalization of the RIFIN multi-copy protein family

    Directory of Open Access Journals (Sweden)

    Sonnhammer Erik L

    2008-01-01

    Full Text Available Abstract Background Parasitic protozoans possess many multicopy gene families which have central roles in parasite survival and virulence. The number and variability of members of these gene families often make it difficult to predict possible functions of the encoded proteins. The families of extra-cellular proteins that are exposed to a host immune response have been driven via immune selection to become antigenically variant, and thereby avoid immune recognition while maintaining protein function to establish a chronic infection. Results We have combined phylogenetic and function shift analyses to study the evolution of the RIFIN proteins, which are antigenically variant and are encoded by the largest multicopy gene family in Plasmodium falciparum. We show that this family can be subdivided into two major groups that we named A- and B-RIFIN proteins. This suggested sub-grouping is supported by a recently published study that showed that, despite the presence of the Plasmodium export (PEXEL motif in all RIFIN variants, proteins from each group have different cellular localizations during the intraerythrocytic life cycle of the parasite. In the present study we show that function shift analysis, a novel technique to predict functional divergence between sub-groups of a protein family, indicates that RIFINs have undergone neo- or sub-functionalization. Conclusion These results question the general trend of clustering large antigenically variant protein groups into homogenous families. Assigning functions to protein families requires their subdivision into meaningful groups such as we have shown for the RIFIN protein family. Using phylogenetic and function shift analysis methods, we identify new directions for the investigation of this broad and complex group of proteins.

  7. Determination of surface functional groups on mechanochemically activated carbon cloth by Boehm method

    Directory of Open Access Journals (Sweden)

    Đukić Anđelka B.

    2014-01-01

    Full Text Available In order to improve sorption properties of activated carbon cloth that can be used for wastewater purification, mechanochemical activation was performed in both inert and air atmosphere. Boehm method was used to follow the changes in the number and types of surface groups induced by mechanical milling. The number of the base groups of 0,2493 mmol/g is significantly smaller than the total amount of acidic functional groups, 2,5093 mmol/g. Among the acidic groups present on the surface, the most represented are phenolic groups (2.3846 mmol/g , ie . > 95 % , the carboxylic groups are present far less (0.1173 mmol /g, ie. 4.5 %, while the presence of the lactone group on the surface of ACC is negligible (0.0074 mmol/g ie. under 0.3 %. Mechanochemical activation lead to an increase in the number of acidic and basic groups on the surface of the ACC. The milling in inert atmosphere has dominant effect with respect to the changes in the total number of basic functional groups (compared to milling in an air atmosphere: the number of basic groups of the ACC was 0.8153 mmol/g milled under argon, 0.7933 mmol/g in the air; the number of acidic groups is 2.9807 mmol/g for a sample milled under argon and 3.5313 mmol/g for one milled in the air.

  8. Wigner functions for a class of semi-direct product groups

    International Nuclear Information System (INIS)

    Krasowska, Anna E; Ali, S Twareque

    2003-01-01

    Following a general method proposed earlier, we construct here Wigner functions defined on coadjoint orbits of a class of semidirect product groups. The groups in question are such that their unitary duals consist purely of representations from the discrete series and each unitary irreducible representation is associated with a coadjoint orbit. The set of all coadjoint orbits (hence UIRs) is finite and their union is dense in the dual of the Lie algebra. The simple structure of the groups and the orbits enables us to compute the various quantities appearing in the definition of the Wigner function explicitly. A large number of examples, with potential use in image analysis, is worked out

  9. The surface reactivity of chalk (biogenic calcite) with hydrophilic and hydrophobic functional groups

    Science.gov (United States)

    Okhrimenko, D. V.; Dalby, K. N.; Skovbjerg, L. L.; Bovet, N.; Christensen, J. H.; Stipp, S. L. S.

    2014-03-01

    surface energies before and after extraction are considered insignificant and we conclude that the sample is not affected by the extraction procedure.The absolute values for the dispersive component of surface energy for North Sea chalks determined here are consistent with data obtained earlier by inverse gas chromatography (IGC) (Skovbjerg et al., 2013). Skovbjerg and colleagues reported values of γd for GS and WS chalk equal to 36.3 and 47.0 mJ/m2. The values reported for the polar components of the surface energy are, however, much lower. This difference is probably associated with the differences in the theoretical background for the two techniques. IGC measures surface interaction with vapours at close to zero coverage, using the Good-van Oss approach (van Oss et al., 1988), whereas the results obtained here are for surfaces fully covered by several layers of adsorbate and use the Owens-Wendt approach (Owens and Wendt, 1969). Our probe molecules (water and ethanol) are also more polar than the probe molecules used for the IGC experiments (dichloromethane and ethyl acetate), which probably leads to overestimation of values for the polar component of the surface energy.The total surface energy of the calcite samples that we obtained is close to reports for marble (Janczuk et al., 1983) and calcite (Goujon and Mutaftschiev, 1976; Okayama et al., 1997). There are, however, considerable differences in the values reported by different groups and in one case (Douillard et al., 1995), values reported are three times higher than our observations. We propose that the history of the samples, thus what is adsorbed on the surfaces, has a great deal to do with the surface tension measured.

  10. Resolving Microzooplankton Functional Groups In A Size-Structured Planktonic Model

    Science.gov (United States)

    Taniguchi, D.; Dutkiewicz, S.; Follows, M. J.; Jahn, O.; Menden-Deuer, S.

    2016-02-01

    Microzooplankton are important marine grazers, often consuming a large fraction of primary productivity. They consist of a great diversity of organisms with different behaviors, characteristics, and rates. This functional diversity, and its consequences, are not currently reflected in large-scale ocean ecological simulations. How should these organisms be represented, and what are the implications for their biogeography? We develop a size-structured, trait-based model to characterize a diversity of microzooplankton functional groups. We compile and examine size-based laboratory data on the traits, revealing some patterns with size and functional group that we interpret with mechanistic theory. Fitting the model to the data provides parameterizations of key rates and properties, which we employ in a numerical ocean model. The diversity of grazing preference, rates, and trophic strategies enables the coexistence of different functional groups of micro-grazers under various environmental conditions, and the model produces testable predictions of the biogeography.

  11. Development of a Temperature Programmed Identification Technique to Characterize the Organic Sulphur Functional Groups in Coal

    Directory of Open Access Journals (Sweden)

    Moinuddin Ghauri

    2017-06-01

    Full Text Available The Temperature Programmed Reduction (TPR technique is employed for the characterisation of various organic sulphur functional groups in coal. The TPR technique is modified into the Temperature Programmed Identification technique to investigate whether this method can detect various functional groups corresponding to their reduction temperatures. Ollerton, Harworth, Silverdale, Prince of Wales coal and Mequinenza lignite were chosen for this study. High pressure oxydesulphurisation of the coal samples was also done. The characterization of various organic sulphur functional groups present in untreated and treated coal by the TPR method and later by the TPI method confirmed that these methods can identify the organic sulphur groups in coal and that the results based on total sulphur are comparable with those provided by standard analytical techniques. The analysis of the untreated and treated coal samples showed that the structural changes in the organic sulphur matrix due to a reaction can be determined.

  12. Marine polar steroids

    International Nuclear Information System (INIS)

    Stonik, Valentin A

    2001-01-01

    Structures, taxonomic distribution and biological activities of polar steroids isolated from various marine organisms over the last 8-10 years are considered. The peculiarities of steroid biogenesis in the marine biota and their possible biological functions are discussed. Syntheses of some highly active marine polar steroids are described. The bibliography includes 254 references.

  13. Differential symptomatology and functioning in borderline personality disorder across age groups.

    Science.gov (United States)

    Frías, Álvaro; Palma, Carol; Solves, Laia; Martínez, Bárbara; Salvador, Ana

    2017-12-01

    There is increasing research aimed at addressing whether patients with borderline personality disorder (BPD) may exhibit variations in symptomatology and functioning according to their chronological age. The current study consisted of 169 outpatients diagnosed with BPD, who were divided into four age groups as follows: 16-25 years (n = 41), 26-35 years (n = 43), 36-45 years (n = 45), and 46 and more years (n = 40). Age groups were compared for symptomatology, normal personality traits, psychiatric comorbidities, functioning, and treatment-related features. The younger group had significantly higher levels of physical/verbal aggression and suicide attempts relative to the older group. Conversely, the older group had significantly greater severity of somatization, depression, and anxiety symptoms. In addition, the older group showed significantly greater functional impairment overall and across physical/psychological domains, specifically when compared to the younger group. Overall, these findings may suggest that age-related symptoms should be considered when diagnosing BPD. Also, functional impairments should be the target interventions for older BPD patients. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Effect of saline iontophoresis on skin barrier function and cutaneous irritation in four ethnic groups.

    Science.gov (United States)

    Singh, J; Gross, M; Sage, B; Davis, H T; Maibach, H I

    2000-08-01

    The effect of saline iontophoresis on skin barrier function and irritation was investigated in four ethnic groups (Caucasians, Hispanics, Blacks and Asians). Forty healthy human volunteers were recruited according to specific entry criteria. Ten subjects, five males and five females, were assigned to each ethnic group. Skin barrier function was examined after 4 hours of saline iontophoresis at a current density of 0.2 mA/cm(2) on a 6.5 cm(2) area in terms of the measured responses: transepidermal water loss (TEWL), skin capacitance, skin temperature and visual scores. There were significant differences in TEWL among the ethnic groups prior to patch application. TEWL at baseline in ethnic groups was in the rank order: Caucasian>Asian>Hispanic>Black. Iontophoresis was generally well tolerated, and skin barrier function was not irreversibly affected by iontophoresis in any group. There was no significant skin temperature change, compared to baseline, in any ethnic groups at any observation point. Edema was not observed. At patch removal, the erythema score was elevated in comparison to baseline in all ethnic groups; erythema resolved within 24 hours. Thus, saline iontophoresis produced reversible changes in skin barrier function and irritation in healthy human subjects.

  15. Direct hyperpolarization of micro- and nanodiamonds for bioimaging applications - Considerations on particle size, functionalization and polarization loss

    Science.gov (United States)

    Kwiatkowski, Grzegorz; Jähnig, Fabian; Steinhauser, Jonas; Wespi, Patrick; Ernst, Matthias; Kozerke, Sebastian

    2018-01-01

    Due to the inherently long relaxation time of 13C spins in diamond, the nuclear polarization enhancement obtained with dynamic nuclear polarization can be preserved for a time on the order of about one hour, opening up an opportunity to use diamonds as a new class of long-lived contrast agents. The present communication explores the feasibility of using 13C spins in directly hyperpolarized diamonds for MR imaging including considerations for potential in vivo applications.

  16. Planar polarity pathway and Nance-Horan syndrome-like 1b have essential cell-autonomous functions in neuronal migration.

    Science.gov (United States)

    Walsh, Gregory S; Grant, Paul K; Morgan, John A; Moens, Cecilia B

    2011-07-01

    Components of the planar cell polarity (PCP) pathway are required for the caudal tangential migration of facial branchiomotor (FBM) neurons, but how PCP signaling regulates this migration is not understood. In a forward genetic screen, we identified a new gene, nhsl1b, required for FBM neuron migration. nhsl1b encodes a WAVE-homology domain-containing protein related to human Nance-Horan syndrome (NHS) protein and Drosophila GUK-holder (Gukh), which have been shown to interact with components of the WAVE regulatory complex that controls cytoskeletal dynamics and with the polarity protein Scribble, respectively. Nhsl1b localizes to FBM neuron membrane protrusions and interacts physically and genetically with Scrib to control FBM neuron migration. Using chimeric analysis, we show that FBM neurons have two modes of migration: one involving interactions between the neurons and their planar-polarized environment, and an alternative, collective mode involving interactions between the neurons themselves. We demonstrate that the first mode of migration requires the cell-autonomous functions of Nhsl1b and the PCP components Scrib and Vangl2 in addition to the non-autonomous functions of Scrib and Vangl2, which serve to polarize the epithelial cells in the environment of the migrating neurons. These results define a role for Nhsl1b as a neuronal effector of PCP signaling and indicate that proper FBM neuron migration is directly controlled by PCP signaling between the epithelium and the migrating neurons.

  17. Assessment of the Global and Regional Land Hydrosphere and Its Impact on the Balance of the Geophysical Excitation Function of Polar Motion

    Science.gov (United States)

    Wińska, Małgorzata; Nastula, Jolanta; Kołaczek, Barbara

    2016-02-01

    The impact of continental hydrological loading from land water, snow and ice on polar motion excitation, calculated as hydrological angular momentum (HAM), is difficult to estimate, and not as much is known about it as about atmospheric angular momentum (AAM) and oceanic angular momentum (OAM). In this paper, regional hydrological excitations to polar motion are investigated using monthly terrestrial water storage data derived from the Gravity Recovery and Climate Experiment (GRACE) mission and from the five models of land hydrology. The results show that the areas where the variance shows large variability are similar for the different models of land hydrology and for the GRACE data. Areas which have a small amplitude on the maps make an important contribution to the global hydrological excitation function of polar motion. The comparison of geodetic residuals and global hydrological excitation functions of polar motion shows that none of the hydrological excitation has enough energy to significantly improve the agreement between the observed geodetic excitation and geophysical ones.

  18. Tuning of electronic properties and dynamical stability of graphene oxide with different functional groups

    Science.gov (United States)

    Dabhi, Shweta D.; Jha, Prafulla K.

    2017-09-01

    The structural, electronic and vibrational properties of graphene oxide (GO) with varying proportion of epoxy and hydroxyl functional groups have been studied using density functional theory. The functional groups and oxygen density have an obvious influence on the electronic and vibrational properties. The dependence of band gap on associated functional groups and oxygen density shows a possibility of tuning the band gap of graphene by varying the functional groups as well as oxidation level. The absorption of high oxygen content in graphene leads to the gap opening and resulting in a transition from semimetal to semiconductor. Phonon dispersion curves show no imaginary frequency or no softening of any phonon mode throughout the Brillouin zone which confirms the dynamical stability of all considered GO models. Different groups and different oxygen density result into the varying characteristics of phonon modes. The computed results show good agreement with the experimental observations. Our results present interesting possibilities for engineering the electronic properties of graphene and GO and impact the fabrication of new electronics.

  19. Computational screening of functional groups for capture of toxic industrial chemicals in porous materials.

    Science.gov (United States)

    Kim, Ki Chul; Fairen-Jimenez, David; Snurr, Randall Q

    2017-12-06

    A thermodynamic analysis using quantum chemical methods was carried out to identify optimal functional group candidates that can be included in metal-organic frameworks and activated carbons for the selective capture of toxic industrial chemicals (TICs) in humid air. We calculated the binding energies of 14 critical TICs plus water with a series of 10 functional groups attached to a naphthalene ring model. Using vibrational calculations, the free energies of adsorption were calculated in addition to the binding energies. Our results show that, in these systems, the binding energies and free energies follow similar trends. We identified copper(i) carboxylate as the optimal functional group (among those studied) for the selective binding of the majority of the TICs in humid air, and this functional group exhibits especially strong binding for sulfuric acid. Further thermodynamic analysis shows that the presence of water weakens the binding strength of sulfuric acid with the copper carboxylate group. Our calculations predict that functionalization of aromatic rings would be detrimental to selective capture of COCl 2 , CO 2 , and Cl 2 under humid conditions. Finally, we found that forming an ionic complex, H 3 O + HSO 4 - , between H 2 SO 4 and H 2 O via proton transfer is not favorable on copper carboxylate.

  20. Modeling phytoplankton community in reservoirs. A comparison between taxonomic and functional groups-based models.

    Science.gov (United States)

    Di Maggio, Jimena; Fernández, Carolina; Parodi, Elisa R; Diaz, M Soledad; Estrada, Vanina

    2016-01-01

    In this paper we address the formulation of two mechanistic water quality models that differ in the way the phytoplankton community is described. We carry out parameter estimation subject to differential-algebraic constraints and validation for each model and comparison between models performance. The first approach aggregates phytoplankton species based on their phylogenetic characteristics (Taxonomic group model) and the second one, on their morpho-functional properties following Reynolds' classification (Functional group model). The latter approach takes into account tolerance and sensitivity to environmental conditions. The constrained parameter estimation problems are formulated within an equation oriented framework, with a maximum likelihood objective function. The study site is Paso de las Piedras Reservoir (Argentina), which supplies water for consumption for 450,000 population. Numerical results show that phytoplankton morpho-functional groups more closely represent each species growth requirements within the group. Each model performance is quantitatively assessed by three diagnostic measures. Parameter estimation results for seasonal dynamics of the phytoplankton community and main biogeochemical variables for a one-year time horizon are presented and compared for both models, showing the functional group model enhanced performance. Finally, we explore increasing nutrient loading scenarios and predict their effect on phytoplankton dynamics throughout a one-year time horizon. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Liu Jing, E-mail: liujing27@mail.hust.edu.cn [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China); Cheney, Marcos A. [Department of Natural Sciences, University of Maryland Eastern Shore, Princess Anne, MD 21853 (United States); Wu Fan; Li Meng [State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2011-02-15

    A systematic theoretical study using density functional theory is performed to provide molecular-level understanding of the effects of chemical functional groups on mercury adsorption on carbonaceous surfaces. The zigzag and armchair edges were used in modeling the carbonaceous surfaces to simulate different adsorption sites. The edge atoms on the upper side of the models are unsaturated to simulate active sites. All calculations (optimizations, energies, and frequencies) were made at B3PW91 density functional theory level, using RCEP60VDZ basis set for mercury and 6-31G(d) pople basis set for other atoms. The results indicate that the embedding of halogen atom can increase the activity of its neighboring site which in turn increases the adsorption capacity of the carbonaceous surface for Hg{sup 0}. The adsorption belongs to chemisorptions, which is in good agreement with the experimental results. For the effects of oxygen functional groups, lactone, carbonyl and semiquinone favor Hg{sup 0} adsorption because they increase the neighboring site's activity for mercury adsorption. On the contrary, phenol and carboxyl functional groups show a physisorption of Hg{sup 0}, and reduce Hg capture. This result can explain the seemingly conflicting experimental results reported in the literature concerning the influence of oxygen functional groups on mercury adsorption on carbonaceous surface.

  2. Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

    International Nuclear Information System (INIS)

    Vega, Esther; Lemus, Jesús; Anfruns, Alba; Gonzalez-Olmos, Rafael; Palomar, José; Martin, María J.

    2013-01-01

    Highlights: • HNO 3 oxidation incorporates a higher amount of functionalities than O 3 oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO 3 oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions

  3. Adsorption of volatile sulphur compounds onto modified activated carbons: Effect of oxygen functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Vega, Esther, E-mail: esther@lequia.udg.cat [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Lemus, Jesús [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Anfruns, Alba; Gonzalez-Olmos, Rafael [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain); Palomar, José [Universidad de Madrid, Sección de Ingeniería Química, Cantoblanco, Madrid E-28049 (Spain); Martin, María J. [LEQUIA, Institute of the Environment, University of Girona, Campus Montilivi, Girona, Catalonia E-17071 (Spain)

    2013-08-15

    Highlights: • HNO{sub 3} oxidation incorporates a higher amount of functionalities than O{sub 3} oxidation. • The loss of porosity is compensated by the massive incorporation of oxygen groups. • HNO{sub 3} oxidation increases OH groups in AC and the ETM and DMS adsorption capacities. • The oxygen functional groups in the AC surface did not affect the DMDS adsorption. • COSMO-RS predicts the important role of OH groups for VSC adsorption. -- Abstract: The effect of physical and chemical properties of activated carbon (AC) on the adsorption of ethyl mercaptan, dimethyl sulphide and dimethyl disulphide was investigated by treating a commercial AC with nitric acid and ozone. The chemical properties of ACs were characterised by temperature programme desorption and X-ray photoelectron spectroscopy. AC treated with nitric acid presented a larger amount of oxygen functional groups than materials oxidised with ozone. This enrichment allowed a significant improvement on adsorption capacities for ethyl mercaptan and dimethyl sulphide but not for dimethyl disulphide. In order to gain a deeper knowledge on the effect of the surface chemistry of AC on the adsorption of volatile sulphur compounds, the quantum-chemical COSMO-RS method was used to simulate the interactions between AC surface groups and the studied volatile sulphur compounds. In agreement with experimental data, this model predicted a greater affinity of dimethyl disulphide towards AC, unaffected by the incorporation of oxygen functional groups in the surface. Moreover, the model pointed out to an increase of the adsorption capacity of AC by the incorporation of hydroxyl functional groups in the case of ethyl mercaptan and dimethyl sulphide due to the hydrogen bond interactions.

  4. Functional group composition of ambient and source organic aerosols determined by tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Dron, J.; El Haddad, I.; Temime-Roussel, B.; Wortham, H.; Marchand, N. [Univ Aix Marseille, CNRS, Lab Chim Provence, Equipe Instrumentat and React Atmospher, UMR 6264, F-13331 Marseille 3 (France); Jaffrezo, J.L. [Univ Grenoble 1, CNRS, UMR 5183, Lab Glaciol and Geophys Environm, F-38402 St Martin Dheres (France)

    2010-07-01

    The functional group composition of various organic aerosols (OA) is investigated using a recently developed analytical approach based on atmospheric pressure chemical ionisation-tandem mass spectrometry (APCIMS/MS). The determinations of three functional groups contents are performed quantitatively by neutral loss (carboxylic and carbonyl groups, R-COOH and R-CO-R' respectively) and precursor ion (nitro groups, R-NO{sub 2}) scanning modes of a tandem mass spectrometer. Major organic aerosol sources are studied: vehicular emission and wood combustion for primary aerosol sources; and a secondary organic aerosol (SOA) produced through photooxidation of o-xylene. The results reveal significant differences in the functional group contents of these source aerosols. The laboratory generated SOA is dominated by carbonyls while carboxylics are preponderate in the wood combustion particles. On the other hand, vehicular emissions are characterised by a strong nitro content. The total amount of the three functional groups accounts for 1.7% (vehicular) to 13.5% (o-xylene photooxidation) of the organic carbon. Diagnostic functional group ratios are then used to tentatively discriminate sources of particles collected in an urban background environment located in an Alpine valley (Chamonix, France) during a strong winter pollution event. The three functional groups under study account for a total functionalization rate of 2.2 to 3.8% of the organic carbon in this ambient aerosol, which is also dominated by carboxylic moieties. In this particular case study of a deep alpine valley during winter, we show that the nitro- and carbonyl-to-carboxylic diagnostic ratios can be a useful tool to discriminate sources. In these conditions, the total OA concentrations are highly dominated by wood combustion OA. This result is confirmed by an organic markers source apportionment approach which assess a wood burning organic carbon contribution of about 60%. Finally, examples of functional

  5. Tonian paleomagnetism of the red beds of Madiyi Formation, lower Banxi Group in South China: implications for pre-Sturtian climate, Rodinia reconstruction and true polar wander

    Science.gov (United States)

    Hanbiao, X.; Zhang, S.; Xiao, Q.; Li, H.; Chang, L.; Fu, H.; Liu, R.

    2017-12-01

    We present a new Tonian paleomagnetic pole from the red beds of ca. 810 Ma Madiyi Formation, lower Banxi Group in the central South China Block (SCB). Detailed thermal demagnetization reveals two distinct magnetic components among the samples. A low temperature component (LTC), removed from almost all the samples below 580°C, yielded a paleopole at 68.0°N, 211.7°E (A95=1.9) that is close to the pole of late Jurassic. The high temperature component (HTC), isolated between 580-690°C, gave a mean direction of D=310.0°, I=57.4°, α95=3.7 (108 samples of 13 sites) after bedding correction, corresponding to a paleomagnetic pole at 47.6°N, 46.7°E (A95=5.6°). The HTC passed a reversal test on 95% and 99% confidence level. Directional distribution of the HTC show significant elongation which may indicate inclination shallowing, and the inclination was corrected to 75.1° using E/I technique, corresponding to a paleolatitude at 60.8±3.4° of research area. The paleopole calculated from the E/I-corrected HTC is at 44.8°N, 80.2°E (A95=3.4°), being significantly distinct from any younger poles of the SCB. This new pole plus existing high quality paleomagnetic poles from the SCB demonstrate that the SCB experienced a polar-equatorial region drifting tendency from 825 Ma to Cambrian. The high-paleolatitude red beds rather than glacial sediments deposited in the SCB, combined with coeval widespread evaporative in other continents, possibly suggest pre-Cryogenian global greenhouse climate. In our reconstruction at 800 Ma, the SCB was placed on the northwest periphery of Rodinia, with its western margin adjacent to the northern India, rather than occupying a central position of Rodinia. The distribution of 825-750 Ma poles of the SCB, East Svalbard, Australia, Laurentia, India along a great arc may be associated with true polar wander around 800 Ma.

  6. Hydrological-niche models predict water plant functional group distributions in diverse wetland types.

    Science.gov (United States)

    Deane, David C; Nicol, Jason M; Gehrig, Susan L; Harding, Claire; Aldridge, Kane T; Goodman, Abigail M; Brookes, Justin D

    2017-06-01

    Human use of water resources threatens environmental water supplies. If resource managers are to develop policies that avoid unacceptable ecological impacts, some means to predict ecosystem response to changes in water availability is necessary. This is difficult to achieve at spatial scales relevant for water resource management because of the high natural variability in ecosystem hydrology and ecology. Water plant functional groups classify species with similar hydrological niche preferences together, allowing a qualitative means to generalize community responses to changes in hydrology. We tested the potential for functional groups in making quantitative prediction of water plant functional group distributions across diverse wetland types over a large geographical extent. We sampled wetlands covering a broad range of hydrogeomorphic and salinity conditions in South Australia, collecting both hydrological and floristic data from 687 quadrats across 28 wetland hydrological gradients. We built hydrological-niche models for eight water plant functional groups using a range of candidate models combining different surface inundation metrics. We then tested the predictive performance of top-ranked individual and averaged models for each functional group. Cross validation showed that models achieved acceptable predictive performance, with correct classification rates in the range 0.68-0.95. Model predictions can be made at any spatial scale that hydrological data are available and could be implemented in a geographical information system. We show the response of water plant functional groups to inundation is consistent enough across diverse wetland types to quantify the probability of hydrological impacts over regional spatial scales. © 2017 by the Ecological Society of America.

  7. Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

    Science.gov (United States)

    Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

    2015-01-13

    Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

  8. Thermal regulation of functional groups in running water ecosystems. Progress report, 1974--1975

    International Nuclear Information System (INIS)

    Cummins, K.W.; Klug, M.J.

    1975-01-01

    Upper and lower thermal limits and temperature dependent growth were determined for a number of organisms (or populations) representing various functional groups of stream ecosystems (microconsumers, producers, and macroconsumers, shredders, collectors, scrapers, and predators). Although temperature functions as an overall control parameter, organic substrate (microconsumers) and inorganic nutrients (microconsumers and producers), light (producers) and food quality (macroconsumers) can modify thermal responses. Stream microorganisms typically grow below their thermal optima, community composition being determined by those that can manage the maximum growth at a given temperature utilizing a given organic substrate. Producers in first to third order streams are generally light limited (although nutrient availability is also important). Food quality, primarily a function of microbial biomass in the case of detritivores. can compensate for temperature dependent growth in non-predator macroinvertebrate functional groups. (U.S.)

  9. Wigner functions for noncommutative quantum mechanics: A group representation based construction

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, S. Hasibul Hassan, E-mail: shhchowdhury@gmail.com [Chern Institute of Mathematics, Nankai University, Tianjin 300071 (China); Department of Mathematics and Statistics, Concordia University, Montréal, Québec H3G 1M8 (Canada); Ali, S. Twareque, E-mail: twareque.ali@concordia.ca [Department of Mathematics and Statistics, Concordia University, Montréal, Québec H3G 1M8 (Canada)

    2015-12-15

    This paper is devoted to the construction and analysis of the Wigner functions for noncommutative quantum mechanics, their marginal distributions, and star-products, following a technique developed earlier, viz, using the unitary irreducible representations of the group G{sub NC}, which is the three fold central extension of the Abelian group of ℝ{sup 4}. These representations have been exhaustively studied in earlier papers. The group G{sub NC} is identified with the kinematical symmetry group of noncommutative quantum mechanics of a system with two degrees of freedom. The Wigner functions studied here reflect different levels of non-commutativity—both the operators of position and those of momentum not commuting, the position operators not commuting and finally, the case of standard quantum mechanics, obeying the canonical commutation relations only.

  10. Pentafluorobenzene end-group as a versatile handle for para fluoro "click" functionalization of polythiophenes.

    Science.gov (United States)

    Boufflet, Pierre; Casey, Abby; Xia, Yiren; Stavrinou, Paul N; Heeney, Martin

    2017-03-01

    A convenient method of introducing pentafluorobenzene (PFB) as a single end-group in polythiophene derivatives is reported via in situ quenching of the polymerization. We demonstrate that the PFB-group is a particularly useful end-group due to its ability to undergo fast nucleophilic aromatic substitutions. Using this molecular handle, we are able to quantitatively tether a variety of common nucleophiles to the polythiophene backbone. The mild conditions required for the reaction allows sensitive functional moieties, such as biotin or a cross-linkable trimethoxysilane, to be introduced as end-groups. The high yield enabled the formation of a diblock rod-coil polymer from equimolar reactants under transition metal-free conditions at room temperature. We further demonstrate that water soluble polythiophenes end-capped with PFB can be prepared via the hydrolysis of an ester precursor, and that such polymers are amenable to functionalization under aqueous conditions.

  11. Multi-walled carbon nanotubes (MWCNTs) functionalized with amino groups by reacting with supercritical ammonia fluids

    International Nuclear Information System (INIS)

    Shao Lu; Bai Yongping; Huang Xu; Gao Zhangfei; Meng Linghui; Huang Yudong; Ma Jun

    2009-01-01

    For the first time, supercritical ammonia fluid was utilized to simply functionalize multi-walled carbon nanotube (MWCNT) with amino groups. The successful amino functionalization of MWCNTs was proven and the physicochemical properties of MWCNTs before and after supercritical ammonia fluids modifications were characterized using X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), atomic force microscope (AFM) and Raman spectroscopy. The results also indicated that the supercritical ammonia fluids had the visible effects on the nanostructure of carbon nanotubes. Our novel modification approach provides an easy way to modify MWCNTs with amino groups, which is very useful for realizing 'carbon nanotube economy' in the near future.

  12. Linking Keystone Species and Functional Groups: A New Operational Definition of the Keystone Species Concept

    Directory of Open Access Journals (Sweden)

    Robert D. Davic

    2003-07-01

    Full Text Available The concept of the "keystone species" is redefined to allow for the a priori prediction of these species within ecosystems. A keystone species is held to be a strongly interacting species whose top-down effect on species diversity and competition is large relative to its biomass dominance within a functional group. This operational definition links the community importance of keystone species to a specific ecosystem process, e.g., the regulation of species diversity, within functional groups at lower trophic levels that are structured by competition for a limited resource. The a priori prediction of keystone species has applied value for the conservation of natural areas.

  13. Plant functional groups of potential restoration use in advancing edges of high Andean forests

    International Nuclear Information System (INIS)

    Castellanos Castro, Carolina; Bonilla, Maria Argenis

    2011-01-01

    The study of plant functional groups constitutes a useful tool in the identification of ecological characteristics relevant in community regeneration. The aim of this study was to identify plant's functional groups in high Andean forest advance edges and to evaluate their role during secondary succession in abandoned pasture lands. Based on 10 x 10 m vegetation relevees for the shrubby-arboreal stratum and 1 x 1 m plots for the herbaceous stratum and the revision of vital attributes for each of the species found, this study uses a multivariate approach to construct a trait-based emergent group's classification. The most important attributes in the definition of the groups were the dispersion mechanism and the presence of basal trunk ramification in woody species; in addition differences in the presence of vegetative propagation, specific leaf area index and the ratio height/diameter at breast height were found between groups of the shrubby-arboreal stratum. Four distinct groups were defined in the herbaceous layer and five in the shrubby-arboreal layer, each group contains species with similar colonization strategies. Among the defined groups, the herbaceous species dispersed by various abiotic factors, the shrubby species with basal ramification and dispersed by wind and the species dispersed by birds constitute key strategies in forest recovery in adjacent abandoned pasture lands dominated by Holcus lanatus, and facilitate the establishment of secondary forest species.

  14. Water Contact Angle Dependence with Hydroxyl Functional Groups on Silica Surfaces under CO2 Sequestration Conditions.

    Science.gov (United States)

    Chen, Cong; Zhang, Ning; Li, Weizhong; Song, Yongchen

    2015-12-15

    Functional groups on silica surfaces under CO2 sequestration conditions are complex due to reactions among supercritical CO2, brine and silica. Molecular dynamics simulations have been performed to investigate the effects of hydroxyl functional groups on wettability. It has been found that wettability shows a strong dependence on functional groups on silica surfaces: silanol number density, space distribution, and deprotonation/protonation degree. For neutral silica surfaces with crystalline structure (Q(3), Q(3)/Q(4), Q(4)), as silanol number density decreases, contact angle increases from 33.5° to 146.7° at 10.5 MPa and 318 K. When Q(3) surface changes to an amorphous structure, water contact angle increases 20°. Water contact angle decreases about 12° when 9% of silanol groups on Q(3) surface are deprotonated. When the deprotonation degree increases to 50%, water contact angle decreases to 0. The dependence of wettability on silica surface functional groups was used to analyze contact angle measurement ambiguity in literature. The composition of silica surfaces is complicated under CO2 sequestration conditions, the results found in this study may help to better understand wettability of CO2/brine/silica system.

  15. Significance of Joint Features Derived from the Modified Group Delay Function in Speech Processing

    Directory of Open Access Journals (Sweden)

    Murthy Hema A

    2007-01-01

    Full Text Available This paper investigates the significance of combining cepstral features derived from the modified group delay function and from the short-time spectral magnitude like the MFCC. The conventional group delay function fails to capture the resonant structure and the dynamic range of the speech spectrum primarily due to pitch periodicity effects. The group delay function is modified to suppress these spikes and to restore the dynamic range of the speech spectrum. Cepstral features are derived from the modified group delay function, which are called the modified group delay feature (MODGDF. The complementarity and robustness of the MODGDF when compared to the MFCC are also analyzed using spectral reconstruction techniques. Combination of several spectral magnitude-based features and the MODGDF using feature fusion and likelihood combination is described. These features are then used for three speech processing tasks, namely, syllable, speaker, and language recognition. Results indicate that combining MODGDF with MFCC at the feature level gives significant improvements for speech recognition tasks in noise. Combining the MODGDF and the spectral magnitude-based features gives a significant increase in recognition performance of 11% at best, while combining any two features derived from the spectral magnitude does not give any significant improvement.

  16. Subtle cytotoxicity and genotoxicity differences in superparamagnetic iron oxide nanoparticles coated with various functional groups

    Directory of Open Access Journals (Sweden)

    Hong SC

    2011-12-01

    Full Text Available Seong Cheol Hong1,*, Jong Ho Lee1,*, Jaewook Lee1, Hyeon Yong Kim1, Jung Youn Park2, Johann Cho3, Jaebeom Lee1, Dong-Wook Han11Department of Nanomedical Engineering, BK21 Nano Fusion Technology Division, College of Nanoscience and Nanotechnology, Pusan National University, 2Department of Biotechnology Research, National Fisheries Research and Development Institute, Busan, 3Electronic Materials Lab, Samsung Corning Precision Materials Co, Ltd, Gumi City, Gyeongsangbukdo, Korea*These authors contributed equally to this workAbstract: Superparamagnetic iron oxide nanoparticles (SPIONs have been widely utilized for the diagnosis and therapy of specific diseases, as magnetic resonance imaging (MRI contrast agents and drug-delivery carriers, due to their easy transportation to targeted areas by an external magnetic field. For such biomedical applications, SPIONs must have multifunctional characteristics, including optimized size and modified surface. However, the biofunctionality and biocompatibility of SPIONs with various surface functional groups of different sizes have yet to be elucidated clearly. Therefore, it is important to carefully monitor the cytotoxicity and genotoxicity of SPIONs that are surfaced-modified with various functional groups of different sizes. In this study, we evaluated SPIONs with diameters of approximately 10 nm and 100~150 nm, containing different surface functional groups. SPIONs were covered with –O-groups, so-called bare SPIONs. Following this, they were modified with three different functional groups – hydroxyl (–OH, carboxylic (–COOH, and amine (–NH2 groups – by coating their surfaces with tetraethyl orthosilicate (TEOS, (3-aminopropyltrimethoxysilane (APTMS, TEOS-APTMS, or citrate, which imparted different surface charges and sizes to the particles. The effects of SPIONs coated with these functional groups on mitochondrial activity, intracellular accumulation of reactive oxygen species, membrane integrity

  17. Functional group composition of ambient and source organic aerosols determined by tandem mass spectrometry

    Directory of Open Access Journals (Sweden)

    J. Dron

    2010-08-01

    Full Text Available The functional group composition of various organic aerosols (OA is investigated using a recently developed analytical approach based on atmospheric pressure chemical ionisation-tandem mass spectrometry (APCI-MS/MS. The determinations of three functional groups contents are performed quantitatively by neutral loss (carboxylic and carbonyl groups, R-COOH and R-CO-R´ respectively and precursor ion (nitro groups, R-NO2 scanning modes of a tandem mass spectrometer. Major organic aerosol sources are studied: vehicular emission and wood combustion for primary aerosol sources; and a secondary organic aerosol (SOA produced through photooxidation of o-xylene. The results reveal significant differences in the functional group contents of these source aerosols. The laboratory generated SOA is dominated by carbonyls while carboxylics are preponderate in the wood combustion particles. On the other hand, vehicular emissions are characterised by a strong nitro content. The total amount of the three functional groups accounts for 1.7% (vehicular to 13.5% (o-xylene photooxidation of the organic carbon. Diagnostic functional group ratios are then used to tentatively discriminate sources of particles collected in an urban background environment located in an Alpine valley (Chamonix, France during a strong winter pollution event. The three functional groups under study account for a total functionalisation rate of 2.2 to 3.8% of the organic carbon in this ambient aerosol, which is also dominated by carboxylic moieties. In this particular case study of a deep alpine valley during winter, we show that the nitro- and carbonyl-to-carboxylic diagnostic ratios can be a useful tool to discriminate sources. In these conditions, the total OA concentrations are highly dominated by wood combustion OA. This result is confirmed by an organic markers source apportionment approach which assess a wood burning organic carbon contribution of about 60

  18. Chemoselective Reduction and Alkylation of Carbonyl Functions Using Phosphonium Salts as an in Situ Protecting Groups.

    Science.gov (United States)

    Ohta, Reiya; Fujioka, Hiromichi

    2017-01-01

    Recent progress in the chemoselective reduction and alkylation of carbonyl functions using our in situ protection method is described. Methods that enable reversal or control of the reactivity of a carbonyl functional group are potentially useful. They open up new areas of synthetic organic chemistry and change the concept of retrosynthesis because they remove the need for complicated protection/deprotection sequences. In this account, we discuss the strategy and applications of our in situ protection method using phosphonium salts.

  19. Qualitative Comparison of Women's Perspectives on the Functions and Benefits of Group and Individual Prenatal Care.

    Science.gov (United States)

    Heberlein, Emily C; Picklesimer, Amy H; Billings, Deborah L; Covington-Kolb, Sarah; Farber, Naomi; Frongillo, Edward A

    2016-01-01

    Women's definitions and experiences of the functions and benefits of their routine prenatal care are largely absent from research and public discourse on prenatal care outcomes. This qualitative study aimed to develop a framework of women's prenatal care experiences by comparing the experiences of women in individual and group prenatal care. We conducted serial qualitative interviews with racially diverse low-income women receiving individual prenatal care (n = 14) or group prenatal care (n = 15) through pregnancy and the early postpartum period. We completed 42 second-trimester, 48 third-trimester, and 44 postpartum interviews. Using grounded theory, the semistructured interviews were coded for themes, and the themes were integrated into an explanatory framework of prenatal care functions and benefits. Individual and group participants described similar benefits in 3 prenatal care functions: confirming health, preventing and monitoring medical complications, and building supportive provider relationships. For the fourth function, educating and preparing, group care participants experienced more benefits and different benefits. The benefits for group participants were enhanced by the supportive group environment. Group participants described greater positive influences on stress, confidence, knowledge, motivation, informed decision making, and health care engagement. Whereas pregnant women want to maximize their probability of having a healthy newborn, other prenatal care outcomes are also important: reducing pregnancy-related stress; developing confidence and knowledge for improving health; preparing for labor, birth, and newborn care; and having supportive relationships. Group prenatal care may be more effective in attaining these outcomes. Achieving these outcomes is increasingly relevant in health care systems prioritizing woman-centered care and improved birth outcomes. How to achieve them should be part of policy development and research. © 2016 by the

  20. Characteristics and Changes in Health Status and Life Function among Female Elderly Participants of Group Exercise.

    Science.gov (United States)

    Tsujimoto, Hiromi; Yamada, Kazuko; Morioka, Ikuharu

    2017-01-01

    The purpose of this study was to clarify the characteristics of female elderly participants of a group exercise organized by the participants themselves and the changes in their physical, mental, and social health, and life function. Findings of this study will be used for promoting effective preventive care. The subjects whose characteristics were analyzed were 394 participants and 757 nonparticipants of the group exercise. Those whose changes in health were analyzed were 52 participants and 114 nonparticipants. Locomotion Check and self-rated health score were used as indices of physical health. World Health Organization-Five well-being (S-WHO-5-J) index and self-rated life satisfaction level were used as indices of mental health. Satisfaction level of social activities was one of indices of social health. The Tokyo Metropolitan Institute of Gerontology Index of Competence was used as an index of life function. The health-examination data analyzed were Body Mass Index, waist circumference, blood pressure, lipid profiles, and HbA1c level. In the participant group, the proportions of those who lived alone, who were affluent, and who had no job were higher than those in the nonparticipant group. The indices of physical, mental and social health and life function were higher in the participant group. There was no significant difference in the 5-year trend of health-examination data between the two groups. There was no significant difference in the yearly change in the indices of physical health and life function. The S-WHO-5-J index, self-rated life satisfaction level, and satisfaction level of social activities were maintained or improved in the participant group. The results suggest the possible usefulness of the group exercise for maintaining the mental and social health of elderly women.

  1. Utility Function for modeling Group Multicriteria Decision Making problems as games

    OpenAIRE

    Alexandre Bevilacqua Leoneti

    2016-01-01

    To assist in the decision making process, several multicriteria methods have been proposed. However, the existing methods assume a single decision-maker and do not consider decision under risk, which is better addressed by Game Theory. Hence, the aim of this research is to propose a Utility Function that makes it possible to model Group Multicriteria Decision Making problems as games. The advantage of using Game Theory for solving Group Multicriteria Decision Making problems is to evaluate th...

  2. Gas-phase formaldehyde adsorption isotherm studies on activated carbon: correlations of adsorption capacity to surface functional group density.

    Science.gov (United States)

    Carter, Ellison M; Katz, Lynn E; Speitel, Gerald E; Ramirez, David

    2011-08-01

    Formaldehyde (HCHO) adsorption isotherms were developed for the first time on three activated carbons representing one activated carbon fiber (ACF) cloth, one all-purpose granular activated carbon (GAC), and one GAC commercially promoted for gas-phase HCHO removal. The three activated carbons were evaluated for HCHO removal in the low-ppm(v) range and for water vapor adsorption from relative pressures of 0.1-0.9 at 26 °C where, according to the IUPAC isotherm classification system, the adsorption isotherms observed exhibited Type V behavior. A Type V adsorption isotherm model recently proposed by Qi and LeVan (Q-L) was selected to model the observed adsorption behavior because it reduces to a finite, nonzero limit at low partial pressures and it describes the entire range of adsorption considered in this study. The Q-L model was applied to a polar organic adsorbate to fit HCHO adsorption isotherms for the three activated carbons. The physical and chemical characteristics of the activated carbon surfaces were characterized using nitrogen adsorption isotherms, X-ray photoelectron spectroscopy (XPS), and Boehm titrations. At low concentrations, HCHO adsorption capacity was most strongly related to the density of basic surface functional groups (SFGs), while water vapor adsorption was most strongly influenced by the density of acidic SFGs.

  3. Analytical relation between the fifth-order vacuum-polarization coefficient b5 and the fifth-order Gell-Mann-Low function Ψ5

    International Nuclear Information System (INIS)

    Nigam, B.P.

    1994-01-01

    An expression for the fifth-order vacuum-polarization coefficient b 5 was reported. Recently, Broadhurst et al have indicated that this is in error by the omission of a fifth-order term. In this letter, after including the fifth-order Gell-Mann-Low (GML) function Ψ 5 in the GML equation, a relation between b 5 and Ψ 5 is derived. (author)

  4. Nonperturbative renormalization-group approach preserving the momentum dependence of correlation functions

    Science.gov (United States)

    Rose, F.; Dupuis, N.

    2018-05-01

    We present an approximation scheme of the nonperturbative renormalization group that preserves the momentum dependence of correlation functions. This approximation scheme can be seen as a simple improvement of the local potential approximation (LPA) where the derivative terms in the effective action are promoted to arbitrary momentum-dependent functions. As in the LPA, the only field dependence comes from the effective potential, which allows us to solve the renormalization-group equations at a relatively modest numerical cost (as compared, e.g., to the Blaizot-Mendéz-Galain-Wschebor approximation scheme). As an application we consider the two-dimensional quantum O(N ) model at zero temperature. We discuss not only the two-point correlation function but also higher-order correlation functions such as the scalar susceptibility (which allows for an investigation of the "Higgs" amplitude mode) and the conductivity. In particular, we show how, using Padé approximants to perform the analytic continuation i ωn→ω +i 0+ of imaginary frequency correlation functions χ (i ωn) computed numerically from the renormalization-group equations, one can obtain spectral functions in the real-frequency domain.

  5. Surface functional group characterization using chemical derivatization X-ray photoelectron spectroscopy (CD-XPS)

    Energy Technology Data Exchange (ETDEWEB)

    Jagst, Eda

    2011-03-18

    Chemical derivatization - X-ray photolectron spectroscopy (CD-XPS) was applied successfully in order to determine different functional groups on thin film surfaces. Different amino group carrying surfaces, prepared by spin coating, self-assembly and plasma polymerization, were successfully investigated by (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Amino groups were derivatized with the widely used primary amino group tags, pentafluorobenzaldehyde (PFB) and 4-(trifluoromethyl)-benzaldehyde (TFBA), prior to analysis. Primary amino group quantification was then carried out according to the spectroscopical data. Self-assembled monolayers (SAMs) of different terminal groups were prepared and investigated with XPS and spectra were compared with reference surfaces. An angle resolved NEXAFS measurement was applied to determine the orientation of SAMs. Plasma polymerized allylamine samples with different duty cycle, power and pressure values were prepared in order to study the effects of external plasma parameters on the primary amino group retention. CD-XPS was used to quantify the amino groups and experiments show, that the milder plasma conditions promote the retention of amino groups originating from the allylamine monomer. An interlaboratory comparison of OH group determination on plasma surfaces of polypropylene treated with oxygen plasma, was studied. The surfaces were investigated with XPS and the [OH] amount on the surfaces was calculated. (orig.)

  6. Investigation of photon detection probability dependence of SPADnet-I digital photon counter as a function of angle of incidence, wavelength and polarization

    Energy Technology Data Exchange (ETDEWEB)

    Játékos, Balázs, E-mail: jatekosb@eik.bme.hu; Ujhelyi, Ferenc; Lőrincz, Emőke; Erdei, Gábor

    2015-01-01

    SPADnet-I is a prototype, fully digital, high spatial and temporal resolution silicon photon counter, based on standard CMOS imaging technology, developed by the SPADnet consortium. Being a novel device, the exact dependence of photon detection probability (PDP) of SPADnet-I was not known as a function of angle of incidence, wavelength and polarization of the incident light. Our targeted application area of this sensor is next generation PET detector modules, where they will be used along with LYSO:Ce scintillators. Hence, we performed an extended investigation of PDP in a wide range of angle of incidence (0° to 80°), concentrating onto a 60 nm broad wavelength interval around the characteristic emission peak (λ=420 nm) of the scintillator. In the case where the sensor was optically coupled to a scintillator, our experiments showed a notable dependence of PDP on angle, polarization and wavelength. The sensor has an average PDP of approximately 30% from 0° to 60° angle of incidence, where it starts to drop rapidly. The PDP turned out not to be polarization dependent below 30°. If the sensor is used without a scintillator (i.e. the light source is in air), the polarization dependence is much less expressed, it begins only from 50°.

  7. Exploring excited eigenstates of many-body systems using the functional renormalization group

    Science.gov (United States)

    Klöckner, Christian; Kennes, Dante Marvin; Karrasch, Christoph

    2018-05-01

    We introduce approximate, functional renormalization group based schemes to obtain correlation functions in pure excited eigenstates of large fermionic many-body systems at arbitrary energies. The algorithms are thoroughly benchmarked and their strengths and shortcomings are documented using a one-dimensional interacting tight-binding chain as a prototypical testbed. We study two "toy applications" from the world of Luttinger liquid physics: the survival of power laws in lowly excited states as well as the spectral function of high-energy "block" excitations, which feature several single-particle Fermi edges.

  8. Psychosocial functioning in patients with treatment-resistant depression after group cognitive behavioral therapy

    Directory of Open Access Journals (Sweden)

    Kunisato Yoshihiko

    2010-03-01

    Full Text Available Abstract Background Although patients with Treatment Resistant Depression (TRD often have impaired social functioning, few studies have investigated the effectiveness of psychosocial treatment for these patients. We examined whether adding group cognitive behavioral therapy (group-CBT to medication would improve both the depressive symptoms and the social functioning of patient with mild TRD, and whether any improvements would be maintained over one year. Methods Forty-three patients with TRD were treated with 12 weekly sessions of group-CBT. Patients were assessed with the Global Assessment of Functioning scale (GAF, the 36-item Short-Form Health Survey (SF-36, the Hamilton Rating Scale for Depression (HRSD, the Dysfunctional Attitudes Scale (DAS, and the Automatic Thought Questionnaire-Revised (ATQ-R at baseline, at the termination of treatment, and at the 12-month follow-up. Results Thirty-eight patients completed treatment; five dropped out. For the patients who completed treatment, post-treatment scores on the GAF and SF-36 were significantly higher than baseline scores. Scores on the HRSD, DAS, and ATQ-R were significantly lower after the treatment. Thus patients improved on all measurements of psychosocial functioning and mood symptoms. Twenty patients participated in the 12-month follow-up. Their improvements for psychosocial functioning, depressive symptoms, and dysfunctional cognitions were sustained at 12 months following the completion of group-CBT. Conclusions These findings suggest a positive effect that the addition of cognitive behavioural group therapy to medication on depressive symptoms and social functioning of mildly depressed patients, showing treatment resistance.

  9. Direct hyperpolarization of micro- and nanodiamonds for bioimaging applications - Considerations on particle size, functionalization and polarization loss.

    Science.gov (United States)

    Kwiatkowski, Grzegorz; Jähnig, Fabian; Steinhauser, Jonas; Wespi, Patrick; Ernst, Matthias; Kozerke, Sebastian

    2018-01-01

    Due to the inherently long relaxation time of 13 C spins in diamond, the nuclear polarization enhancement obtained with dynamic nuclear polarization can be preserved for a time on the order of about one hour, opening up an opportunity to use diamonds as a new class of long-lived contrast agents. The present communication explores the feasibility of using 13 C spins in directly hyperpolarized diamonds for MR imaging including considerations for potential in vivo applications. Copyright © 2017 Elsevier Inc. All rights reserved.

  10. Pattern classification and recognition of invertebrate functional groups using self-organizing neural networks.

    Science.gov (United States)

    Zhang, WenJun

    2007-07-01

    Self-organizing neural networks can be used to mimic non-linear systems. The main objective of this study is to make pattern classification and recognition on sampling information using two self-organizing neural network models. Invertebrate functional groups sampled in the irrigated rice field were classified and recognized using one-dimensional self-organizing map and self-organizing competitive learning neural networks. Comparisons between neural network models, distance (similarity) measures, and number of neurons were conducted. The results showed that self-organizing map and self-organizing competitive learning neural network models were effective in pattern classification and recognition of sampling information. Overall the performance of one-dimensional self-organizing map neural network was better than self-organizing competitive learning neural network. The number of neurons could determine the number of classes in the classification. Different neural network models with various distance (similarity) measures yielded similar classifications. Some differences, dependent upon the specific network structure, would be found. The pattern of an unrecognized functional group was recognized with the self-organizing neural network. A relative consistent classification indicated that the following invertebrate functional groups, terrestrial blood sucker; terrestrial flyer; tourist (nonpredatory species with no known functional role other than as prey in ecosystem); gall former; collector (gather, deposit feeder); predator and parasitoid; leaf miner; idiobiont (acarine ectoparasitoid), were classified into the same group, and the following invertebrate functional groups, external plant feeder; terrestrial crawler, walker, jumper or hunter; neustonic (water surface) swimmer (semi-aquatic), were classified into another group. It was concluded that reliable conclusions could be drawn from comparisons of different neural network models that use different distance

  11. Fourier-space TEM reconstructions with symmetry adapted functions for all rotational point groups.

    Science.gov (United States)

    Trapani, Stefano; Navaza, Jorge

    2013-05-01

    A general-purpose and simple expression for the coefficients of symmetry adapted functions referred to conveniently oriented symmetry axes is given for all rotational point groups. The expression involves the computation of reduced Wigner-matrix elements corresponding to an angle specific to each group and has the computational advantage of leading to Fourier-space TEM (transmission electron microscopy) reconstruction procedures involving only real valued unknowns. Using this expression, a protocol for ab initio view and center assignment and reconstruction so far used for icosahedral particles has been tested with experimental data in other point groups. Copyright © 2013 Elsevier Inc. All rights reserved.

  12. Controlled surface functionalization of silica-coated magnetic nanoparticles with terminal amino and carboxyl groups

    International Nuclear Information System (INIS)

    Kralj, Slavko; Drofenik, Miha; Makovec, Darko

    2011-01-01

    General and versatile methods for the functionalization of superparamagnetic, silica-coated, maghemite nanoparticles by surface amino and/or carboxyl groups have been established. The nanoparticles were synthesized using co-precipitation from aqueous solutions and coated with a thin layer of silica using the hydrolysis and condensation of tetraethoxysilane (TEOS). For the amino functionalization, 3-(2-aminoethylamino)propylmethyldimethoxysilane (APMS) was grafted onto the nanoparticle surfaces in their aqueous suspensions. The grafting process was followed by measurements of the ζ-potential and a determination of the concentration of the surface amino groups with conductometric titrations. The surface concentration of the amino groups could be varied by increasing the amount of APMS in the grafting process up to approximately 2.3 –NH 2 groups per nm 2 . The carboxyl functionalization was obtained in two ways: (i) by a ring-opening linker elongation reaction of the surface amines at the functionalized nanoparticles with succinic anhydride (SA) in non-aqueous medium, and (ii) by reacting the APMS and SA first, followed by grafting of the carboxyl-terminated reagent onto the nanoparticle surfaces. Using the first method, the SA only reacted with the terminal primary amino groups (–NH 2 ) of the surface-grafted APMS molecules. Infra-red spectroscopy (ATR FTIR) and mass spectrometry (HRMS) showed that the second method enables the bonding of up to two SA molecules per one APMS molecule, since the SA reacted with both the primary (–NH 2 ) and secondary amino (–NH–) groups of the APMS molecule. When using both methods, the ratio between the surface amino and carboxyl groups can be controlled.

  13. Functional analysis of the putative peroxidase domain of FANCA, the Fanconi anemia complementation group A protein.

    Science.gov (United States)

    Ren, J; Youssoufian, H

    2001-01-01

    Fanconi anemia (FA) is an autosomal recessive disorder manifested by chromosomal breakage, birth defects, and susceptibility to bone marrow failure and cancer. At least seven complementation groups have been identified, and the genes defective in four groups have been cloned. The most common subtype is complementation group A. Although the normal functions of the gene products defective in FA cells are not completely understood, a clue to the function of the FA group A gene product (FANCA) was provided by the detection of limited homology in the amino terminal region to a class of heme peroxidases. We evaluated this hypothesis by mutagenesis and functional complementation studies. We substituted alanine residues for the most conserved FANCA residues in the putative peroxidase domain and tested their effects on known biochemical and cellular functions of FANCA. While the substitution mutants were comparable to wild-type FANCA with regard to their stability, subcellular localization, and interaction with FANCG, only the Trp(183)-to-Ala substitution (W183A) abolished the ability of FANCA to complement the sensitivity of FA group A cells to mitomycin C. By contrast, TUNEL assays for apoptosis after exposure to H2O2 showed no differences between parental FA group A cells, cells complemented with wild-type FANCA, and cells complemented with the W183A of FANCA. Moreover, semiquantitative RT-PCR analysis for the expression of the peroxide-sensitive heme oxygenase gene showed appropriate induction after H2O2 exposure. Thus, W183A appears to be essential for the in vivo activity of FANCA in a manner independent of its interaction with FANCG. Moreover, neither wild-type FANCA nor the W183A mutation appears to alter the peroxide-induced apoptosisor peroxide-sensing ability of FA group A cells. Copyright 2001 Academic Press.

  14. [Effects of canopy density on the functional group of soil macro fauna in Pinus massoniana plantations].

    Science.gov (United States)

    Zhou, Hong Yang; Zhang, Dan Ju; Zhang, Jie; Zhao, Yan Bo; Zhao, Bo; Wei, Da Ping; Zhang, Jian

    2017-06-18

    In order to understand the effects of canopy density on the functional group characteristics of soil macrofauna in Pinus massoniana plantations, we divided the captured soil fauna into five types including xylophages, predators, saprophages, omnivores and fungal feeders. The results showed that 1) Saprozoic feeders had the highest percentage of total individuals, and the omnivores and xylophages occupied higher percentages of total taxa. 2) The individual and group number of the predators, and the group number of xylophages did not change significantly under 0.5-0.6 and then decreased significantly under 0.6-0.9 canopy density. 3) With the increasing canopy density, the individual an dgroup number of predators in litter layer decreased significantly, the saprozoic individual number in 5-10 cm soil layer represented irregular trends. The individual number of xylophage increased with the depth of soil, and the group number in litter layer, the individual and group number in 5-10 cm soil layer decreased significantly. 4) Pielou evenness of xylophage had no significant changes with the canopy density, all the other diversity index of xylophage and saprophage were various with the increasing canopy density. The predatory Simpson index was stable under 0.5-0.8, and then decreased significantly under 0.8-0.9 canopy density. 5) The CCA (canonical correlation analysis) indicated that soil bulk density and moisture content were the main environmental factors affecting functional groups of soil macro fauna. Moisture content greatly impacted on the number of saprophagous individuals. But xylophage and predators were mostly affected by soil bulk density, and the predatory Simpson index was mainly affected by soil pH value and total phosphorus. Our research indicated that the structure of soil macro faunal functional group under 0.7 canopy density was comparatively stable, which would facilitate the maintenance of soil fertility and ecological function in Pinus massoniana

  15. Grouping notes through nodes: The functions of Post-It notes in design team cognition

    DEFF Research Database (Denmark)

    Dove, Graham; Abildgaard, Sille Julie Jøhnk; Biskjaer, Michael Mose

    2018-01-01

    We investigate the way Post-It notes support creative design team practice, focusing on how they function as cognitive externalisations that, through grouping activities, support categorisation qualities associated with semantic long-term memory. We use a multimodal approach, drawing...

  16. Social Resources and Change in Functional Health: Comparing Three Age Groups

    Science.gov (United States)

    Randall, G. Kevin; Martin, Peter; Bishop, Alex J.; Johnson, Mary Ann; Poon, Leonard W.

    2012-01-01

    This study examined the mediating and moderating role of social resources on the association between age and change in functional health for three age groups of older adults. Data were provided by those in their 60s, 80s, and 100s who participated in the first two phases of the Georgia Centenarian study. Analyses confirmed the study's hypothesis…

  17. Do seedling functional groups reflect ecological strategies of woody plant species in Caatinga?

    Directory of Open Access Journals (Sweden)

    Tatiane Gomes Calaça Menezes

    2017-11-01

    Full Text Available ABSTRACT It is assumed that morphological traits of seedlings reflect different strategies in response to environmental conditions. The ecological significance of this has been widely documented in rainforests, where habitat structure and species interactions play an important role in community assembly. However, in seasonally dry ecosystems, where environmental filtering is expected to strongly influence community structure, this relationship is poorly understood. We investigated this relationship between functional groups of seedlings and life history traits and tested whether functional group predicts the ecological strategies employed by woody species to deal with the stressful conditions in seasonally dry ecosystems. Seedling functional groups, life history traits and traits that reflect ecological strategies for occupying seasonally dry environments were described for twenty-six plant species. Seedlings of species from the Caatinga vegetation exhibited a functional profile different from that observed in rainforests ecosystems. Phanerocotylar-epigeal seedlings were the most frequently observed groups, and had the largest range of ecological strategies related to dealing with seasonally dry environments, while phanerocotylar-hypogeal-reserve seedlings exhibited an increase in frequency with seasonality. We discuss these results in relation to those observed in other tropical forests and their ecological significance in seasonally dry environments.

  18. Using Differential Item Functioning Procedures to Explore Sources of Item Difficulty and Group Performance Characteristics.

    Science.gov (United States)

    Scheuneman, Janice Dowd; Gerritz, Kalle

    1990-01-01

    Differential item functioning (DIF) methodology for revealing sources of item difficulty and performance characteristics of different groups was explored. A total of 150 Scholastic Aptitude Test items and 132 Graduate Record Examination general test items were analyzed. DIF was evaluated for males and females and Blacks and Whites. (SLD)

  19. Functional group, biomass, and climate change effects on ecological drought in semiarid grasslands

    Science.gov (United States)

    Wilson, Scott D.; Schlaepfer, Daniel R.; Bradford, John B.; Lauenroth, William K.; Duniway, Michael C.; Hall, Sonia A.; Jamiyansharav, Khishigbayar; Jia, Gensuo; Lkhagva, Ariuntsetseg; Munson, Seth M.; Pyke, David A.; Tietjen, Britta

    2018-01-01

    Water relations in plant communities are influenced both by contrasting functional groups (grasses, shrubs) and by climate change via complex effects on interception, uptake and transpiration. We modelled the effects of functional group replacement and biomass increase, both of which can be outcomes of invasion and vegetation management, and climate change on ecological drought (soil water potential below which photosynthesis stops) in 340 semiarid grassland sites over 30‐year periods. Relative to control vegetation (climate and site‐determined mixes of functional groups), the frequency and duration of drought were increased by shrubs and decreased by annual grasses. The rankings of shrubs, control vegetation, and annual grasses in terms of drought effects were generally consistent in current and future climates, suggesting that current differences among functional groups on drought effects predict future differences. Climate change accompanied by experimentally‐increased biomass (i.e. the effects of invasions that increase community biomass, or management that increases productivity through fertilization or respite from grazing) increased drought frequency and duration, and advanced drought onset. Our results suggest that the replacement of perennial temperate semiarid grasslands by shrubs, or increased biomass, can increase ecological drought both in current and future climates.

  20. Diameter growth performance of tree functional groups in Puerto Rican secondary tropical forests

    Directory of Open Access Journals (Sweden)

    Patricia Adame

    2014-04-01

    Full Text Available Aim of study: Understanding the factors that control tree growth in successional stands is particularly important for quantifying the carbon sequestration potential and timber yield of secondary tropical forests. Understanding the factors that control tree growth in successional stands is particularly important for quantifying the carbon sequestration potential and timber yield of secondary tropical forests. Yet, the high species diversity of mixed tropical forests, including many uncommon species, hinders the development of species-specific diameter growth models.Area of study: In these analyses, we grouped 82 species from secondary forests distributed across 93 permanent plots on the island of Puerto Rico.Material and Methods: Species were classified according to regeneration strategy and adult height into six functional groups. This classification allowed us to develop a robust diameter growth model using growth data collected from 1980-1990. We used mixed linear model regression to analyze tree diameter growth as a function of individual tree characteristics, stand structure, functional group and site factors.Main results: The proportion of variance in diameter growth explained by the model was 15.1%, ranging from 7.9 to 21.7%. Diameter at breast height, stem density and functional group were the most important predictors of tree growth in Puerto Rican secondary forest. Site factors such as soil and topography failed to predict diameter growth.Keywords: Caribbean forests; growth model; tropical forest succession; Puerto Rico.

  1. An Integral Representation of Standard Automorphic L Functions for Unitary Groups

    Directory of Open Access Journals (Sweden)

    Yujun Qin

    2007-01-01

    Full Text Available Let F be a number field, G a quasi-split unitary group of rank n. We show that given an irreducible cuspidal automorphic representation π of G(A, its (partial L function LS(s,π,σ can be represented by a Rankin-Selberg-type integral involving cusp forms of π, Eisenstein series, and theta series.

  2. Stepwise Analysis of Differential Item Functioning Based on Multiple-Group Partial Credit Model.

    Science.gov (United States)

    Muraki, Eiji

    1999-01-01

    Extended an Item Response Theory (IRT) method for detection of differential item functioning to the partial credit model and applied the method to simulated data using a stepwise procedure. Then applied the stepwise DIF analysis based on the multiple-group partial credit model to writing trend data from the National Assessment of Educational…

  3. Functional groups of fossil marattialeans: chemotaxonomic implications for Pennsylvanian tree ferns and pteridophylls

    Czech Academy of Sciences Publication Activity Database

    Pšenička, J.; Zodrow, E. L.; Mastalerz, M.; Bek, Jiří

    2005-01-01

    Roč. 61, 3-4 (2005), s. 259-280 ISSN 0166-5162 R&D Projects: GA AV ČR(CZ) IAA3013902 Institutional research plan: CEZ:AV0Z30130516 Keywords : interdisciplinary approach * functional groups * FTIR Subject RIV: DB - Geology ; Mineralogy Impact factor: 1.397, year: 2005

  4. Towards the five-loop beta function for a general gauge group

    International Nuclear Information System (INIS)

    Luthe, Thomas; Schroeder, York

    2016-06-01

    We present analytical results for the N"4_f and N"3_f terms of the five-loop beta function, for a general gauge group. While the former term agrees with results available from large-N_f studies, the latter is new and extends the value known for SU(3) from an independent calculation.

  5. An Epistemological Inquiry into Organic Chemistry Education: Exploration of Undergraduate Students' Conceptual Understanding of Functional Groups

    Science.gov (United States)

    Akkuzu, Nalan; Uyulgan, Melis Arzu

    2016-01-01

    This study sought to determine the levels of conceptual understanding of undergraduate students regarding organic compounds within different functional groups. A total of 60 students who were enrolled in the Department of Secondary Science and Mathematics Education of a Faculty of Education at a state university in Turkey and who had followed an…

  6. Comparing Executive Function and Behavioral Inhibition in Schizophrenia, Bipolar Mood Disorder Type I and Normal Groups

    Directory of Open Access Journals (Sweden)

    Marziye Khodaee

    2015-11-01

    Full Text Available Introduction: Cognitive performance in patients with schizophrenia and Bipolar I disorder seems to be different from the normal individuals, that these defects affect their treatment results. Therefore, this study aimed to compare executive function and behavioral inhibition within patients suffering from schizophrenia, bipolar type I as well as a normal group. Methods: In this descriptive-comparative study, out of all patients hospitalized in daily psychiatric clinic in Najafabad in 2014 due to these disorders, 20 schizophrenia and 20 bipolar type I as well as 20 normal individuals were selected via the convinience sampling. All the study participants completed the computerizing tests including Tower of London and Go-No Go. The study data were analyzed utilizing SPSS software (ver 22 via MANOVA. Results: The study findings revealed a significant difference between the two patient groups and the normal group in regard with executive function and behavioral inhibition (p<0.05, whereas no differences were detected between schizophrenics and bipolar patient groups. Furthermore, patients suffering from schizophrenia and bipolar I mood disorder demonstrated significantly poor performance in cognitive function and behavioral inhibition compared to the normal group. Conclusion: The present study results can be significantly applied in pathology and therapy of these disorders, so as recognizing the inability of such patients can be effective in developing cognitive rehabilitation programs in these patients.

  7. Attachment theory and group processes: the association between attachment style and group-related representations, goals, memories, and functioning.

    Science.gov (United States)

    Rom, Eldad; Mikulincer, Mario

    2003-06-01

    Four studies examined attachment-style differences in group-related cognitions and behaviors. In Studies 1-2, participants completed scales on group-related cognitions and emotions. In Studies 3-4, participants were divided into small groups, and their performance in group tasks as well as the cohesion of their group were assessed. Both attachment anxiety and avoidance in close relationships were associated with negative group-related cognitions and emotions. Anxiety was also related to the pursuit of closeness goals and impaired instrumental performance in group tasks. Avoidance was related to the pursuit of distance goals and deficits in socioemotional and instrumental performance. Group cohesion significantly moderated the effects of attachment anxiety. The discussion emphasizes the relevance of attachment theory within group contexts.

  8. Age group analysis of psychological, physical and functional deterioration in patients hospitalized for pneumonia.

    Science.gov (United States)

    Martín-Salvador, Adelina; Torres-Sánchez, Irene; Sáez-Roca, Germán; López-Torres, Isabel; Rodríguez-Alzueta, Elisabeth; Valenza, Marie Carmen

    2015-10-01

    Hospital admissions due to pneumonia range from 1.1 to 4 per 1,000 patients and this figure increases with age. Hospitalization causes a decline in functional status. Physical impairment impedes recovery and constitutes a higher risk of disability and mortality in elderly people. The objective of this study is to assess the impact of hospital stay in patients with pneumonia related with age. A total of 116 patients with pneumonia were included in this study, and divided into two age groups:psychological and emotional profile were evaluated. Pneumonia severity, nutritional status, independence and comorbidities were also assessed. Statistical analyses revealed significant differences between both age groups in pneumonia severity and comorbidities. Significant improvements between admission and discharge were found in lung function in both groups (pgroup. Hospitalization leads to a significant physical impairment in patients admitted for pneumonia. This deterioration increases with age. Copyright © 2014 SEPAR. Published by Elsevier Espana. All rights reserved.

  9. The electrochemical signature of functionalized single-walled carbon nanotubes bearing electroactive groups

    International Nuclear Information System (INIS)

    Le Floch, Fabien; Thuaire, Aurelie; Simonato, Jean-Pierre; Bidan, Gerard

    2009-01-01

    We report the modification and characterization of single-walled carbon nanotubes (SWCNTs) in view of molecular sensing applications. We found that ultrasonicated SWCNTs present sticking properties that make them adhere on electrode surfaces. This allows excellent characterization of SWCNTs by cyclic voltammetry (CV) before and after chemical functionalization with diazonium salts bearing electroactive groups. Bare SWCNTs presented distinct invariant shapes in CV, used as control curves, in comparison with functionalized SWCNTs for which specific signatures corresponding to the presence of grafted molecules were identified. According to the electronic substituents in the para position of the diazonium salts, divergent behaviours were observed for the grafting reactions. Diazonium salts having electrowithdrawing groups could be grafted without electrochemical induction whereas those bearing electron donating groups required a cathodic potential to generate the formation of the radical species.

  10. The electrochemical signature of functionalized single-walled carbon nanotubes bearing electroactive groups

    Energy Technology Data Exchange (ETDEWEB)

    Le Floch, Fabien; Thuaire, Aurelie; Simonato, Jean-Pierre [LITEN/DTNM/LCRE, CEA-Grenoble 17 rue des Martyrs, 38054 Grenoble cedex 9 (France); Bidan, Gerard [INAC/DIR, CEA-Grenoble 17 rue des Martyrs, 38054 Grenoble cedex 9 (France)], E-mail: jean-pierre.simonato@cea.fr

    2009-04-08

    We report the modification and characterization of single-walled carbon nanotubes (SWCNTs) in view of molecular sensing applications. We found that ultrasonicated SWCNTs present sticking properties that make them adhere on electrode surfaces. This allows excellent characterization of SWCNTs by cyclic voltammetry (CV) before and after chemical functionalization with diazonium salts bearing electroactive groups. Bare SWCNTs presented distinct invariant shapes in CV, used as control curves, in comparison with functionalized SWCNTs for which specific signatures corresponding to the presence of grafted molecules were identified. According to the electronic substituents in the para position of the diazonium salts, divergent behaviours were observed for the grafting reactions. Diazonium salts having electrowithdrawing groups could be grafted without electrochemical induction whereas those bearing electron donating groups required a cathodic potential to generate the formation of the radical species.

  11. Defining planktonic protist functional groups on mechanisms for energy and nutrient acquisition

    DEFF Research Database (Denmark)

    Mitra, Aditee; Flynn, Kevin J.; Tillmann, Urban

    2016-01-01

    Arranging organisms into functional groups aids ecological research by grouping organisms (irrespective of phylogenetic origin) that interact with environmental factors in similar ways. Planktonic protists traditionally have been split between photoautotrophic “phytoplankton” and phagotrophic...... “microzooplankton”. However, there is a growing recognition of the importance of mixotrophy in euphotic aquatic systems, where many protists often combine photoautotrophic and phagotrophic modes of nutrition. Such organisms do not align with the traditional dichotomy of phytoplankton and microzooplankton...... for phototrophy, and (iv) non-constitutive mixotrophs (NCMs) that acquire their phototrophic capacity by ingesting specific (SNCM) or general non-specific (GNCM) prey. For the first time, we incorporate these functional groups within a foodweb structure and show, using model outputs, that there is scope...

  12. Synthesis of Polystyrene-Based Random Copolymers with Balanced Number of Basic or Acidic Functional Groups

    DEFF Research Database (Denmark)

    Dimitrov, Ivaylo; Jankova Atanasova, Katja; Hvilsted, Søren

    2010-01-01

    for the functionalization were applied. The first one involved direct functionalization of the template backbone through alkylation of the phenolic groups with suitable reagents. The second modification approach was based on "click" chemistry, where the introduction of alkyne groups onto the template backbone was followed......Pairs of polystyrene-based random copolymers with balanced number of pendant basic or acidic groups were synthesized utilizing the template strategy. The same poly[(4-hydroxystyrene)-ran-styrene] was used as a template backbone for modification. Two different synthetic approaches...... by copper-catalyzed 1,3 cycloaddition of aliphatic sulfonate- or amine-contaning azides. Both synthetic approaches proved to be highly efficient as evidenced by H-1-NMR analyses. The thermal properties were evaluated by differential scanning calorimetry and thermal gravimetric analyses and were influenced...

  13. Comparative Activity and Functional Ecology of Permafrost Soils and Lithic Niches in a Hyper-Arid Polar Desert

    Science.gov (United States)

    Goordial, J.; Davila, A.; Greer, C. W.; Cannam, R.; DiRuggiero, J.; McKay, C. P.; Whyte, L. G.

    2016-01-01

    This study represents the first metagenomic interrogation of Antarctic permafrost and polar cryptoendolithic microbial communities. The results underlie two different habitability conditions in the same location under extreme cold and dryness: the permafrost habitat where viable microbial life and activity is questionable, and the cryptoendolithic habitat which contains organisms capable of growth under the extreme conditions of the Antarctic Dry Valleys.

  14. Low Group Delay Dispersion Optical Coating for Broad Bandwidth High Reflection at 45° Incidence, P Polarization of Femtosecond Pulses with 900 nm Center Wavelength

    Directory of Open Access Journals (Sweden)

    John C. Bellum

    2016-03-01

    Full Text Available We describe an optical coating design suitable for broad bandwidth high reflection (BBHR at 45° angle of incidence (AOI, P polarization (Ppol of femtosecond (fs laser pulses whose wavelengths range from 800 to 1000 nm. Our design process is guided by quarter-wave HR coating properties. The design must afford low group delay dispersion (GDD for reflected light over the broad, 200 nm bandwidth in order to minimize temporal broadening of the fs pulses due to dispersive alteration of relative phases between their frequency components. The design should also be favorable to high laser-induced damage threshold (LIDT. We base the coating on TiO2/SiO2 layer pairs produced by means of e-beam evaporation with ion-assisted deposition, and use OptiLayer Thin Film Software to explore designs starting with TiO2/SiO2 layers having thicknesses in a reverse chirped arrangement. This approach led to a design with R > 99% from 800 to 1000 nm and GDD < 20 fs2 from 843 to 949 nm (45° AOI, Ppol. The design’s GDD behaves in a smooth way, suitable for GDD compensation techniques, and its electric field intensities show promise for high LIDTs. Reflectivity and GDD measurements for the initial test coating indicate good performance of the BBHR design. Subsequent coating runs with improved process calibration produced two coatings whose HR bands satisfactorily meet the design goals. For the sake of completeness, we summarize our previously reported transmission spectra and LIDT test results with 800 ps, 8 ps and 675 fs pulses for these two coatings, and present a table of the LIDT results we have for all of our TiO2/SiO2 BBHR coatings, showing the trends with test laser pulse duration from the ns to sub-ps regimes.

  15. Matrix intensification alters avian functional group composition in adjacent rainforest fragments.

    Directory of Open Access Journals (Sweden)

    Justus P Deikumah

    Full Text Available Conversion of farmland land-use matrices to surface mining is an increasing threat to the habitat quality of forest remnants and their constituent biota, with consequences for ecosystem functionality. We evaluated the effects of matrix type on bird community composition and the abundance and evenness within avian functional groups in south-west Ghana. We hypothesized that surface mining near remnants may result in a shift in functional composition of avifaunal communities, potentially disrupting ecological processes within tropical forest ecosystems. Matrix intensification and proximity to the remnant edge strongly influenced the abundance of members of several functional guilds. Obligate frugivores, strict terrestrial insectivores, lower and upper strata birds, and insect gleaners were most negatively affected by adjacent mining matrices, suggesting certain ecosystem processes such as seed dispersal may be disrupted by landscape change in this region. Evenness of these functional guilds was also lower in remnants adjacent to surface mining, regardless of the distance from remnant edge, with the exception of strict terrestrial insectivores. These shifts suggest matrix intensification can influence avian functional group composition and related ecosystem-level processes in adjacent forest remnants. The management of matrix habitat quality near and within mine concessions is important for improving efforts to preserveavian biodiversity in landscapes undergoing intensification such as through increased surface mining.

  16. Consistent Individual Differences Drive Collective Behavior and Group Functioning of Schooling Fish.

    Science.gov (United States)

    Jolles, Jolle W; Boogert, Neeltje J; Sridhar, Vivek H; Couzin, Iain D; Manica, Andrea

    2017-09-25

    The ubiquity of consistent inter-individual differences in behavior ("animal personalities") [1, 2] suggests that they might play a fundamental role in driving the movements and functioning of animal groups [3, 4], including their collective decision-making, foraging performance, and predator avoidance. Despite increasing evidence that highlights their importance [5-16], we still lack a unified mechanistic framework to explain and to predict how consistent inter-individual differences may drive collective behavior. Here we investigate how the structure, leadership, movement dynamics, and foraging performance of groups can emerge from inter-individual differences by high-resolution tracking of known behavioral types in free-swimming stickleback (Gasterosteus aculeatus) shoals. We show that individual's propensity to stay near others, measured by a classic "sociability" assay, was negatively linked to swim speed across a range of contexts, and predicted spatial positioning and leadership within groups as well as differences in structure and movement dynamics between groups. In turn, this trait, together with individual's exploratory tendency, measured by a classic "boldness" assay, explained individual and group foraging performance. These effects of consistent individual differences on group-level states emerged naturally from a generic model of self-organizing groups composed of individuals differing in speed and goal-orientedness. Our study provides experimental and theoretical evidence for a simple mechanism to explain the emergence of collective behavior from consistent individual differences, including variation in the structure, leadership, movement dynamics, and functional capabilities of groups, across social and ecological scales. In addition, we demonstrate individual performance is conditional on group composition, indicating how social selection may drive behavioral differentiation between individuals. Copyright © 2017 The Author(s). Published by

  17. The Dragonfly Nearby Galaxies Survey. III. The Luminosity Function of the M101 Group

    Science.gov (United States)

    Danieli, Shany; van Dokkum, Pieter; Merritt, Allison; Abraham, Roberto; Zhang, Jielai; Karachentsev, I. D.; Makarova, L. N.

    2017-03-01

    We obtained follow-up HST observations of the seven low surface brightness galaxies discovered with the Dragonfly Telephoto Array in the field of the massive spiral galaxy M101. Out of the seven galaxies, only three were resolved into stars and are potentially associated with the M101 group at D = 7 Mpc. Based on HST ACS photometry in the broad F606W and F814W filters, we use a maximum likelihood algorithm to locate the Tip of the Red Giant Branch in galaxy color-magnitude diagrams. Distances are {6.38}-0.35+0.35,{6.87}-0.30+0.21 and {6.52}-0.27+0.25 {Mpc} and we confirm that they are members of the M101 group. Combining the three confirmed low-luminosity satellites with previous results for brighter group members, we find the M101 galaxy group to be a sparsely populated galaxy group consisting of seven group members, down to M V = -9.2 mag. We compare the M101 cumulative luminosity function to that of the Milky Way and M31. We find that they are remarkably similar; in fact, the cumulative luminosity function of the M101 group gets even flatter for fainter magnitudes, and we show that the M101 group might exhibit the two known small-scale flaws in the ΛCDM model, namely “the missing satellite” problem and the “too big to fail” problem. Kinematic measurements of M101's satellite galaxies are required to determine whether the “too big to fail” problem does in fact exist in the M101 group.

  18. Magnetic polyethyleneimine functionalized reduced graphene oxide as a novel magnetic solid-phase extraction adsorbent for the determination of polar acidic herbicides in rice

    International Nuclear Information System (INIS)

    Li, Na; Chen, Juan; Shi, Yan-Ping

    2017-01-01

    A novel magnetic polyethyleneimine modified reduced graphene oxide (Fe 3 O 4 @PEI-RGO) had been fabricated based on a self-assemble approach between positive charged magnetic polyethyleneimine (Fe 3 O 4 @PEI) and negative charged GO sheets via electrostatic interaction followed by chemical reduction of GO to RGO. The as-prepared Fe 3 O 4 @PEI-RGO was characterized by transmission electron microscopy (TEM), Fourier transform infrared spectrometry (FT-IR), X-ray diffraction (XRD), thermal gravimetric analyzer (TGA), vibrating sample magnetometer (VSM) and zeta potential analysis, and then was successfully applied to determine four phenoxy acid herbicides and dicamba in rice coupled with high performance liquid chromatography (HPLC). As a surface modifier of RGO, PEI not only effectually affected the surface property of RGO (e.g. zeta potential), but also changed the polarity of RGO and offered anion exchange groups to polar acidic herbicides, which would directly influence the type of adsorbed analytes. Compared with Fe 3 O 4 @PEI, Fe 3 O 4 /RGO and Fe 3 O 4 @PEI-GO, the as-prepared Fe 3 O 4 @PEI-RGO, integrating the superiority of PEI and RGO, showed higher extraction efficiency for polar acidic herbicides. Besides, the adsorption mechanism was investigated as well. It turned out that electrostatic interaction and π-π interaction were considered to be two major driving force for the adsorption process. Response surface methodology (RSM), a multivariate experimental design technique, was used to optimize experimental parameters affecting the extraction efficiency in detail. Under the optimal conditions, a satisfactory performance was obtained. The calibration curves were linear over the concentration ranging from 2 to 300 ng g −1 with correlation coefficients (r) between 0.9985 and 0.9994. The limits of detection (LODs) were in the range of 0.67–2 ng g −1 . The recoveries ranged from 87.41% to 102.52% with relative standard deviations (RSDs) less than 8

  19. How Perspective-Taking Helps and Hinders Group-Based Guilt as a Function of Group Identification

    NARCIS (Netherlands)

    Zebel, Sven; Doosje, Bertjan; Spears, Russell

    In two studies we hypothesized that outgroup perspective-taking promotes group-based guilt among weakly identified perpetrator group members, but hinders it among higher identifiers. In Study 1, native Dutch participants (N = 153) confronted their group's past mistreatment of outgroups, while

  20. Functional Group and Structural Characterization of Unmodified and Functionalized Lignin by Titration, Elemental Analysis, 1H NMR and FTIR Techniques

    Directory of Open Access Journals (Sweden)

    Ramin Bairami Habashi

    2017-11-01

    Full Text Available Lignin is the second most abundant polymer in the world after cellulose. Therefore, characterization of the structure and functional groups of lignin in order to assess its potential applications in various technical fields has become a necessity. One of the major problems related to the characterization of lignin is the lack of well-defined protocols and standards. In this paper, systematic studies have been done to characterize the structure and functional groups of lignin quantitatively using different techniques such as elemental analysis, titration and 1H NMR and FTIR techniques. Lignin as a black liquor was obtained from Choka Paper Factory and it was purified before any test. The lignin was reacted with α-bromoisobutyryl bromide to calculate the number of hydroxyl and methoxyl moles. Using 1H NMR spectroscopic method on α-bromoisobutyrylated lignin (BiBL in the presence of a given amount of N,N-dimethylformamide (DMF as an internal standard, the number of moles of hydroxyl and methoxyl groups per gram of lignin was found to be 6.44 mmol/g and 6.64 mmol/g, respectively. Using aqueous titration, the number of moles of phenolic hydroxyl groups and carboxyl groups of the lignin were calculated as 3.13 mmol/g and 2.84 mmol/g, respectively. The findings obtained by 1H NMR and elemental analysis indicated to phenyl propane unit of the lignin with C9 structural formula as C9 HAl 3.84HAr2.19S0.2O0.8(OH1.38(OCH31.42. Due to poor solubility of the lignin in tetrahydrofuran (THF, acetylated lignin was used in the GPC analysis, by which number-average molecular weight  of the lignin was calculated as 992 g/mol.

  1. In situ speciation of the functional groups at mineral/electrolyte interfaces by sum frequency vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Floersheimer, M.; Kruse, K.; Klenze, R.; Kim, J.I. [Institut fuer Nukleare Entsorgung, Forschungszentrum Karlsruhe, Postfach 3640, D-76021 Karlsruhe (Germany); Fanghaenel, Th. [Institut fuer Nukleare Entsorgung, Forschungszentrum Karlsruhe, Postfach 3640, D-76021 Karlsruhe (Germany); Physikalisch-Chemisches Institut, Ruprecht-Karls-Universitaet Heidelberg, Im Neuenheimer Feld 253, D-69120, Heidelberg (Germany)

    2005-07-01

    Full text of publication follows: In order to describe surface reactivity and adsorption/desorption processes on the molecular level, a large number of functional groups has been postulated. In most cases, however, a direct proof for the existence of these species in real aquatic environment is lacking because it is difficult to obtain chemical analytical information in situ under electrolyte with interface selectivity. Here we apply interface selective sum frequency (SF) vibrational spectroscopy to study the (001) and (110) surfaces of sapphire ({alpha}-Al{sub 2}O{sub 3}) under water between pH 4 and 12. This work is part of an ongoing fundamental study of the sorption mechanism of actinides on single crystals faces of sapphire by various experimental and theoretical techniques. Sapphire is used as a simple model for natural clay minerals and related iron phases. In the O-H stretch region of the infrared spectrum between 2800 and 4000 cm{sup -1}, we observe a surprisingly large number of 8 SF bands in total. Two of them are due to the polar ordered water film near the mineral surface which is well known from various aquatic interfaces. The other bands originate from up to 6 different aluminol species or from specifically [1] bound water molecules. The prominent peak of the (001) surface (SF intensity maximum at 3690 cm{sup -1}), we attribute to an OH species bridging two [1-4] aluminium atoms. At the (110) surface, the concentration of this species is considerably smaller. Another aluminol species that can be detected at the (001) and the (110) surface (signal maximum near 3450 cm{sup -1}) exhibits O-H bonds which are almost parallel to the interface plane. This species is probably the in-plane aluminol group predicted in recent molecular dynamics calculations [4]. SF spectroscopy allows us also to measure the absolute polar orientation of the water molecules adjacent to the mineral surface. The inversion of the molecules polar orientation upon alteration of the p

  2. Grouping Notes Through NodesThe Functions of Post-It™ Notes in Design Team Cognition

    DEFF Research Database (Denmark)

    Dove, Graham; Abildgaard, Sille Julie; Biskjaer, Michael Mose

    The Post-It™ note is a frequently used, and yet seldom studied, design material. We investigate the functions Post-It™ notes serve when providing cognitive support for creative design team practice. Our investigation considers the ways in which Post-It™ notes function as design externalisations......, both individually and when grouped, and their role in categorisation in semantic long-term memory. To do this, we adopt a multimodal analytical approach focusing on interaction between humans, and between humans and artefacts, alongside language. We discuss in detail examples of four different...... externalisation functions served by Post-It™ notes, and show how these functions are present in complex overlapping combinations rather than being discrete. We then show how the temporal development of Post-It™ note interactions supports categorisation qualities of semantic long-term memory....

  3. Hydrogen-bond acidic functionalized carbon nanotubes (CNTs) with covalently-bound hexafluoroisopropanol groups

    Energy Technology Data Exchange (ETDEWEB)

    Fifield, Leonard S.; Grate, Jay W.

    2010-06-01

    Fluorinated hydrogen-bond acidic groups are directly attached to the backbone of single walled carbon nanotubes (SWCNTs) without the introduction of intermediate electron donating surface groups. Hexafluoroalcohol functional groups are exceptionally strong hydrogen bond acids, and are added to the nanotube surface using the aryl diazonium approach to create hydrogen-bond acidic carbon nanotube (CNT) surfaces. These groups can promote strong hydrogen-bonding interactions with matrix materials in composites or with molecular species to be concentrated and sensed. In the latter case, this newly developed material is expected to find useful application in chemical sensors and in CNT-based preconcentrator devices for the detection of pesticides, chemical warfare agents and explosives.

  4. Algebras of functions on compact quantum groups, Schubert cells and quantum tori

    International Nuclear Information System (INIS)

    Levendorskij, S.; Soibelman, Ya.

    1991-01-01

    The structure of Poisson Lie groups on a simple compact group are parametrized by pairs (a, u), where aelement ofR, uelement ofΛ 2 f R , and f R is a real Cartan subalgebra of complexification of Lie algebra of the group in question. In the present article the description of the symplectic leaves for all pairs (a, u) is given. Also, the corresponding quantized algebras of functions are constructed and their irreducible representations are described. In the course of investigation Schubert cells and quantum tori appear. At the end of the article the quantum analog of the Weyl group is constructed and some of its applications, among them the formula for the universal R-matrix, are given. (orig.)

  5. Insights into the importance of oxygen functional groups in carbon reactions with oxygen containing gases

    International Nuclear Information System (INIS)

    John Zhu, Max Lu

    2005-01-01

    The role of pore structure of carbon in carbon-related adsorptions and reactions has been extensively investigated. However the studies on the role of surface chemistry of carbon are limited. In this paper, we present the importance of oxygen functional groups in carbon reactions with oxygen-containing gases. It is found that there is a good correlation between the electronic structures and reactivities of carbon edge sites. Zigzag sites are more active in oxygen adsorption because of the unpaired electrons and armchair sites are less active in oxygen adsorption due to the triple character. However, the desorption of semi-quinone oxygen from zigzag sites needs a bond energy ca. 30% higher than that of o-quinone oxygen from armchair edge sites. CO 2 and H 2 O adsorb on carbon surface much less favorably than O 2 . H 2 O is first physically adsorbed on the virgin graphite surface followed by chemisorption through oxygen atom approaching the carbon edge site and the movements of two hydrogen atoms to produce H 2 . The adsorption mechanism of H 2 O is different from that for CO 2 , but the final result is quite similar, i.e. producing only semi-quinone oxygen. Based upon the above studies, a new generalized mechanism, as shown in Fig. 1, is developed and can account for all the important kinetic phenomena of carbon-gas reactions. The key point is that in CO 2 /H 2 O-carbon reaction only semi-quinone formed; while, in O 2 -carbon reaction, semi-quinone, o-quinone (at lower pressure), and off-plane epoxy oxygen (at relatively higher pressure) can be formed. This is the main reason for the different reaction kinetics of O 2 -carbon reaction and CO 2 /H 2 O-carbon reactions as observed experimentally. The oxygen functional groups of carbon can be characterized by XPS, PZC (point of zero charge), IEP (isoelectric point) and TPD (temperature-programmed desorption), which were used in our previous studies. We treated the carbon surface with different acids, finding that HNO 3

  6. Assessing the reliability of predictive activity coefficient models for molecules consisting of several functional groups

    Directory of Open Access Journals (Sweden)

    R. P. Gerber

    2013-03-01

    Full Text Available Currently, the most successful predictive models for activity coefficients are those based on functional groups such as UNIFAC. In contrast, these models require a large amount of experimental data for the determination of their parameter matrix. A more recent alternative is the models based on COSMO, for which only a small set of universal parameters must be calibrated. In this work, a recalibrated COSMO-SAC model was compared with the UNIFAC (Do model employing experimental infinite dilution activity coefficient data for 2236 non-hydrogen-bonding binary mixtures at different temperatures. As expected, UNIFAC (Do presented better overall performance, with a mean absolute error of 0.12 ln-units against 0.22 for our COSMO-SAC implementation. However, in cases involving molecules with several functional groups or when functional groups appear in an unusual way, the deviation for UNIFAC was 0.44 as opposed to 0.20 for COSMO-SAC. These results show that COSMO-SAC provides more reliable predictions for multi-functional or more complex molecules, reaffirming its future prospects.

  7. Effect of functional groups on thermal conductivity of graphene/paraffin nanocomposite

    Energy Technology Data Exchange (ETDEWEB)

    Zabihi, Zabiholah; Araghi, Houshang, E-mail: araghi@aut.ac.ir

    2016-11-25

    In this paper, thermal conductivity of graphene/paraffin nanocomposite using micromechanical model has been studied. The behavior of thermal conductivity of nanocomposite as a function of volume fraction of graphene is studied. Then is shown that as the interfacial thermal resistance at the graphene–paraffin interface decreases, the thermal conductivity of nanocomposite increases. In order to reduce the interfacial thermal resistance, functional groups in the interface between graphene and paraffin are used. It can be observed that using functional groups of hydrogen, methyl and phenyl in the interface of nanocomposite, contributes to the improvement of the thermal conductivity. Moreover, as the rate of coverage of the surface of graphene with functional groups of H, CH{sub 3} and C{sub 6}H{sub 5} increases, the thermal conductivity of nanocomposite improves. - Highlights: • Thermal conductivity nanocomposite exhibit nonlinear behavior with volume faction. • Phenyl is better to form the thermal conductivity network in paraffin. • The thickness of interfacial layer can be obtained 12.75 nm.

  8. Carboxylic acid functional group analysis using constant neutral loss scanning-mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Dron, Julien [Laboratoire de Chimie et Environnement, Marseille Universites (case 29), 3 place Victor Hugo, 13331 Marseille Cedex 3 (France)], E-mail: julien.dron@up.univ-mrs.fr; Eyglunent, Gregory; Temime-Roussel, Brice; Marchand, Nicolas; Wortham, Henri [Laboratoire de Chimie et Environnement, Marseille Universites (case 29), 3 place Victor Hugo, 13331 Marseille Cedex 3 (France)

    2007-12-12

    The present study describes the development of a new analytical technique for the functional group determination of the carboxylic moiety using atmospheric pressure chemical ionization-mass spectrometry (APCI-MS/MS) operated in the constant neutral loss scanning (CNLS) mode. Carboxylic groups were first derivatized into their corresponding methyl esters by reacting with BF{sub 3}/methanol mix and the reaction mixture was then directly injected into the APCI chamber. The loss of methanol (m/z = 32 amu) resulting from the fragmentation of the protonated methyl esters was then monitored. Applying this method together with a statistical approach to reference mixtures containing 31 different carboxylic acids at randomly calculated concentrations demonstrated its suitability for quantitative functional group measurements with relative standard deviations below 15% and a detection limit of 0.005 mmol L{sup -1}. Its applicability to environmental matrices was also shown through the determination of carboxylic acid concentrations inside atmospheric aerosol samples. To the best of our knowledge, it is the first time that the tandem mass spectrometry was successfully applied to functional group analysis, offering great perspectives in the characterization of complex mixtures which are prevailing in the field of environmental analysis as well as in the understanding of the chemical processes occurring in these matrices.

  9. Carboxylic acid functional group analysis using constant neutral loss scanning-mass spectrometry

    International Nuclear Information System (INIS)

    Dron, Julien; Eyglunent, Gregory; Temime-Roussel, Brice; Marchand, Nicolas; Wortham, Henri

    2007-01-01

    The present study describes the development of a new analytical technique for the functional group determination of the carboxylic moiety using atmospheric pressure chemical ionization-mass spectrometry (APCI-MS/MS) operated in the constant neutral loss scanning (CNLS) mode. Carboxylic groups were first derivatized into their corresponding methyl esters by reacting with BF 3 /methanol mix and the reaction mixture was then directly injected into the APCI chamber. The loss of methanol (m/z = 32 amu) resulting from the fragmentation of the protonated methyl esters was then monitored. Applying this method together with a statistical approach to reference mixtures containing 31 different carboxylic acids at randomly calculated concentrations demonstrated its suitability for quantitative functional group measurements with relative standard deviations below 15% and a detection limit of 0.005 mmol L -1 . Its applicability to environmental matrices was also shown through the determination of carboxylic acid concentrations inside atmospheric aerosol samples. To the best of our knowledge, it is the first time that the tandem mass spectrometry was successfully applied to functional group analysis, offering great perspectives in the characterization of complex mixtures which are prevailing in the field of environmental analysis as well as in the understanding of the chemical processes occurring in these matrices

  10. Quantification of amine functional groups and their influence on OM/OC in the IMPROVE network

    Science.gov (United States)

    Kamruzzaman, Mohammed; Takahama, Satoshi; Dillner, Ann M.

    2018-01-01

    Recently, we developed a method using FT-IR spectroscopy coupled with partial least squares (PLS) regression to measure the four most abundant organic functional groups, aliphatic C-H, alcohol OH, carboxylic acid OH and carbonyl C=O, in atmospheric particulate matter. These functional groups are summed to estimate organic matter (OM) while the carbon from the functional groups is summed to estimate organic carbon (OC). With this method, OM and OM/OC can be estimated for each sample rather than relying on one assumed value to convert OC measurements to OM. This study continues the development of the FT-IR and PLS method for estimating OM and OM/OC by including the amine functional group. Amines are ubiquitous in the atmosphere and come from motor vehicle exhaust, animal husbandry, biomass burning, and vegetation among other sources. In this study, calibration standards for amines are produced by aerosolizing individual amine compounds and collecting them on PTFE filters using an IMPROVE sampler, thereby mimicking the filter media and collection geometry of ambient standards. The moles of amine functional group on each standard and a narrow range of amine-specific wavenumbers in the FT-IR spectra (wavenumber range 1 550-1 500 cm-1) are used to develop a PLS calibration model. The PLS model is validated using three methods: prediction of a set of laboratory standards not included in the model, a peak height analysis and a PLS model with a broader wavenumber range. The model is then applied to the ambient samples collected throughout 2013 from 16 IMPROVE sites in the USA. Urban sites have higher amine concentrations than most rural sites, but amine functional groups account for a lower fraction of OM at urban sites. Amine concentrations, contributions to OM and seasonality vary by site and sample. Amine has a small impact on the annual average OM/OC for urban sites, but for some rural sites including amine in the OM/OC calculations increased OM/OC by 0.1 or more.

  11. 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

  12. A first approach to a faunistic crenon typology based on functional feeding groups

    Directory of Open Access Journals (Sweden)

    Peter NAGEL

    2011-09-01

    Full Text Available Springs are ecomorphologically and faunistically diverse freshwater ecosystems. Their limnological classification has been a focus of interest since crenic research began. Despite many attempts to include the crenic fauna in the classification of springs, there is no faunistic crenon typology. Over a three-year period we investigated the macroinvertebrate assemblages and the physical, chemical and ecomorphological conditions of 82 springs in the Swiss Jura Mountains, north-western Switzerland. Based on these data we selected the 25 least-disturbed springs to develop a faunistic crenon classification. Based on functional feeding groups we differentiated three crenon groups. An analysis of similarities and nonmetric multidimensional scaling for the substratum types supported the crenon groupings. In general we can distinguish between springs that are dominated by scrapers and characterized by a lotic environment, and those that are mostly inhabited by filtering collectors, associated with a lentic environment. Those two crenon types are the extremes of a continuum. Particular crenon forms, such as those with extensive carbonate deposits, lie between these extremes. This third group is characterized by gathering collectors and shredders. Using this approach we can distinguish faunistic crenon types, based on functional feeding groups, which reflect the abiotic conditions within the springs. We provide a foundation for a faunistic crenon typology which now can be tested in other landscapes and will then be applicable to other low mountain ranges in Europe.

  13. Effects of functional groups and soluble matrices in fish otolith on calcium carbonate mineralization

    Energy Technology Data Exchange (ETDEWEB)

    Ren Dongni; Li Zhuo; Gao Yonghua; Feng Qingling, E-mail: biomater@mail.tsinghua.edu.c [State Key Laboratory of New Ceramics and Fine Processing, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China)

    2010-10-01

    Calcium carbonate mineralization is significantly influenced by organic matrices in vivo. The effect mainly relies on functional groups in proteins. In order to study the influence of functional groups on calcium carbonate mineralization, -OH, -NH{sub 2} and -COOH groups were grafted onto single crystal silicon chips, and such modified chips were used as substrates in in vitro mineralization experiments. An x-ray photoelectron spectroscopy (XPS) test was conducted to examine the grafting efficiency, and the three groups were successfully grafted. Calcium carbonate mineralization on a modified silicon substrate was examined by a scanning electron microscope (SEM) and x-ray diffraction (XRD), and the results showed that the effects of -OH, -NH{sub 2} and -COOH groups were quite different. Furthermore, a water-soluble protein matrix (WSM) and an acid-soluble protein matrix (ASM) extracted from fish otolith were adsorbed onto the -COOH-modified silicon substrate, and the effects of the protein matrices on calcium carbonate mineralization were studied. The results showed that both WSM and ASM of lapillus could mediate aragonite crystallization, but the size and morphology of the formed crystals were different. The WSM and ASM of asteriscus adsorbed on the silicon substrate had little effect on calcium carbonate mineralization; almost all the crystals were calcite, while both asteriscus WSM and ASM in solution could mediate vaterite crystals, and the morphologies of vaterite crystal aggregates were different.

  14. Effects of functional groups and soluble matrices in fish otolith on calcium carbonate mineralization

    International Nuclear Information System (INIS)

    Ren Dongni; Li Zhuo; Gao Yonghua; Feng Qingling

    2010-01-01

    Calcium carbonate mineralization is significantly influenced by organic matrices in vivo. The effect mainly relies on functional groups in proteins. In order to study the influence of functional groups on calcium carbonate mineralization, -OH, -NH 2 and -COOH groups were grafted onto single crystal silicon chips, and such modified chips were used as substrates in in vitro mineralization experiments. An x-ray photoelectron spectroscopy (XPS) test was conducted to examine the grafting efficiency, and the three groups were successfully grafted. Calcium carbonate mineralization on a modified silicon substrate was examined by a scanning electron microscope (SEM) and x-ray diffraction (XRD), and the results showed that the effects of -OH, -NH 2 and -COOH groups were quite different. Furthermore, a water-soluble protein matrix (WSM) and an acid-soluble protein matrix (ASM) extracted from fish otolith were adsorbed onto the -COOH-modified silicon substrate, and the effects of the protein matrices on calcium carbonate mineralization were studied. The results showed that both WSM and ASM of lapillus could mediate aragonite crystallization, but the size and morphology of the formed crystals were different. The WSM and ASM of asteriscus adsorbed on the silicon substrate had little effect on calcium carbonate mineralization; almost all the crystals were calcite, while both asteriscus WSM and ASM in solution could mediate vaterite crystals, and the morphologies of vaterite crystal aggregates were different.

  15. Effects of functional groups and soluble matrices in fish otolith on calcium carbonate mineralization.

    Science.gov (United States)

    Ren, Dongni; Li, Zhuo; Gao, Yonghua; Feng, Qingling

    2010-10-01

    Calcium carbonate mineralization is significantly influenced by organic matrices in vivo. The effect mainly relies on functional groups in proteins. In order to study the influence of functional groups on calcium carbonate mineralization, -OH, -NH2 and -COOH groups were grafted onto single crystal silicon chips, and such modified chips were used as substrates in in vitro mineralization experiments. An x-ray photoelectron spectroscopy (XPS) test was conducted to examine the grafting efficiency, and the three groups were successfully grafted. Calcium carbonate mineralization on a modified silicon substrate was examined by a scanning electron microscope (SEM) and x-ray diffraction (XRD), and the results showed that the effects of -OH, -NH2 and -COOH groups were quite different. Furthermore, a water-soluble protein matrix (WSM) and an acid-soluble protein matrix (ASM) extracted from fish otolith were adsorbed onto the -COOH-modified silicon substrate, and the effects of the protein matrices on calcium carbonate mineralization were studied. The results showed that both WSM and ASM of lapillus could mediate aragonite crystallization, but the size and morphology of the formed crystals were different. The WSM and ASM of asteriscus adsorbed on the silicon substrate had little effect on calcium carbonate mineralization; almost all the crystals were calcite, while both asteriscus WSM and ASM in solution could mediate vaterite crystals, and the morphologies of vaterite crystal aggregates were different.

  16. Social skills group training in high-functioning autism: A qualitative responder study.

    Science.gov (United States)

    Choque Olsson, Nora; Rautio, Daniel; Asztalos, Jenny; Stoetzer, Ulrich; Bölte, Sven

    2016-11-01

    Systematic reviews show some evidence for the efficacy of group-based social skills group training in children and adolescents with autism spectrum disorder, but more rigorous research is needed to endorse generalizability. In addition, little is known about the perspectives of autistic individuals participating in social skills group training. Using a qualitative approach, the objective of this study was to examine experiences and opinions about social skills group training of children and adolescents with higher functioning autism spectrum disorder and their parents following participation in a manualized social skills group training ("KONTAKT"). Within an ongoing randomized controlled clinical trial (NCT01854346) and based on outcome data from the Social Responsiveness Scale, six high responders and five low-to-non-responders to social skills group training and one parent of each child (N = 22) were deep interviewed. Interestingly, both high responders and low-to-non-responders (and their parents) reported improvements in social communication and related skills (e.g. awareness of own difficulties, self-confidence, independence in everyday life) and overall treatment satisfaction, although more positive intervention experiences were expressed by responders. These findings highlight the added value of collecting verbal data in addition to quantitative data in a comprehensive evaluation of social skills group training. © The Author(s) 2016.

  17. Renormalization group improved computation of correlation functions in theories with nontrivial phase diagram

    DEFF Research Database (Denmark)

    Codello, Alessandro; Tonero, Alberto

    2016-01-01

    We present a simple and consistent way to compute correlation functions in interacting theories with nontrivial phase diagram. As an example we show how to consistently compute the four-point function in three dimensional Z2-scalar theories. The idea is to perform the path integral by weighting...... the momentum modes that contribute to it according to their renormalization group (RG) relevance, i.e. we weight each mode according to the value of the running couplings at that scale. In this way, we are able to encode in a loop computation the information regarding the RG trajectory along which we...

  18. High-efficiency organic solar cells based on end-functional-group-modified poly(3-hexylthiophene)

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jong Soo; Lee, Ji Hwang [School of Environmental Science and Engineering Polymer Research Institute, Pohang University of Science and Engineering Pohang, 790-784 (Korea); Lee, Youngmin; Park, Jong Hwan; Kim, Jin Kon; Cho, Kilwon [Department of Chemical Engineering Polymer Research Institute, Pohang University of Science and Engineering Pohang, 790-784 (Korea)

    2010-03-26

    Photovoltaic devices of end-functional-group-modified poly 3-(hexylthiophene)/[6,6]-phenyl-C{sub 61} butyric acid methyl ester (P3HT:PCBM) are fabricated with thermal annealing. The surface energies between donor and acceptor were matched by varying the end group, which can be used to control vertical and horizontal phase separation in the active layer, leading mixed nanomorphology with optimized phase separation, low series resistance, and high performance for solar cell devices. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  19. Asymptotic behaviour in polarized and half-polarized U(1) symmetric vacuum spacetimes

    International Nuclear Information System (INIS)

    Isenberg, James; Moncrief, Vincent

    2002-01-01

    We use the Fuchsian algorithm to study the behaviour near the singularity of certain families of U(1) symmetric solutions of the vacuum Einstein equations (with the U(1) isometry group acting spatially). We consider an analytic family of polarized solutions with the maximum number of arbitrary functions consistent with the polarization condition (one of the 'gravitational degrees of freedom' is turned off) and show that all members of this family are asymptotically velocity term dominated (AVTD) as one approaches the singularity. We show that the same AVTD behaviour holds for a family of 'half-polarized' solutions, which is defined by adding one extra arbitrary function to those characterizing the polarized solutions. (The full set of nonpolarized solutions involves two extra arbitrary functions.) Using SL(2, R) Geroch transformations, we produce a further class of U(1) symmetric solutions with AVTD behaviour. We begin to address the issue of whether AVTD behaviour is independent of the choice of time foliation by showing that indeed AVTD behaviour is seen for a wide class of choices of harmonic time in the polarized and half-polarized (U(1) symmetric vacuum) solutions discussed here

  20. Amination of activated carbon for enhancing phenol adsorption: Effect of nitrogen-containing functional groups

    International Nuclear Information System (INIS)

    Yang, Guo; Chen, Honglin; Qin, Hangdao; Feng, Yujun

    2014-01-01

    To study the contribution of different nitrogen-containing functional groups to enhancement of phenol adsorption, the aminated activated carbons (AC) were characterized by N2 adsorption/desorption, XPS, Boehm titration, and pH drift method and tested for adsorption behaviors of phenol. Adsorption isotherm fitting revealed that the Langmuir model was preferred for the aminated ACs. The adsorption capacity per unit surface area (q m /SSA BET ) was linearly correlated with the amount of pyridinic and pyrrolic N, which suggested that these two functional groups played a critical role in phenol adsorption. The enhancement of adsorption capacity was attributed to the strengthened π–π dispersion between phenol and basal plane of AC by pyridinic, pyrrolic N. The adsorption kinetics was found to follow the pseudo-second-order kinetic model, and intraparticle diffusion was one of the rate-controlling steps in the adsorption process.

  1. Assemblage patterns of fish functional groups relative to habitat connectivity and conditions in floodplain lakes

    Science.gov (United States)

    Miyazono, S.; Aycock, J.N.; Miranda, L.E.; Tietjen, T.E.

    2010-01-01

    We evaluated the influences of habitat connectivity and local environmental factors on the distribution and abundance patterns of fish functional groups in 17 floodplain lakes in the Yazoo River Basin, USA. The results of univariate and multivariate analyses showed that species-environmental relationships varied with the functional groups. Species richness and assemblage structure of periodic strategists showed strong and positive correlations with habitat connectivity. Densities of most equilibrium and opportunistic strategists decreased with habitat connectivity. Densities of certain equilibrium and opportunistic strategists increased with turbidity. Forested wetlands around the lakes were positively related to the densities of periodic and equilibrium strategists. These results suggest that decreases in habitat connectivity, forested wetland buffers and water quality resulting from environmental manipulations may cause local extinction of certain fish taxa and accelerate the dominance of tolerant fishes in floodplain lakes. ?? 2010 John Wiley & Sons A/S.

  2. Lung function decline rates according to GOLD group in patients with chronic obstructive pulmonary disease

    Directory of Open Access Journals (Sweden)

    Kim J

    2015-09-01

    Full Text Available Joohae Kim,1 Ho Il Yoon,2 Yeon-Mok Oh,3 Seong Yong Lim,4 Ji-Hyun Lee,5 Tae-Hyung Kim,6 Sang Yeub Lee,7 Jin Hwa Lee,8 Sang-Do Lee,3 Chang-Hoon Lee11Division of Pulmonary and Critical Care Medicine, Department of Internal Medicine, Seoul National University College of Medicine, Seoul National University Hospital, Seoul, 2Division of Pulmonary and Critical Care Medicine, Department of Internal Medicine, Seoul National University College of Medicine, Seoul National University Bundang Hospital, Seongnam, 3Department of Pulmonary and Critical Care Medicine and Clinical Research Center for Chronic Obstructive Airway Diseases, Asan Medical Center, University of Ulsan College of Medicine, 4Division of Pulmonary and Critical Care Medicine, Department of Internal Medicine, Kangbuk Samsung Hospital, Sungkyunkwan University School of Medicine, Seoul, 5Department of Internal Medicine, CHA Bundang Medical Center, CHA University, Seongnam, 6Division of Pulmonology, Department of Internal Medicine, Hanyang University Guri Hospital, Hanyang University College of Medicine, Guri, 7Division of Respiratory and Critical Care Medicine, Department of Internal Medicine, College of Medicine, Korea University, 8Department of Internal Medicine, Ewha Womans University Mokdong Hospital, College of Medicine, Ewha Womans University, Seoul, Republic of KoreaBackground: Since the Global Initiative for Chronic Obstructive Lung Disease (GOLD groups A-D were introduced, the lung function changes according to group have been evaluated rarely.Objective: We investigated the rate of decline in annual lung function in patients categorized according to the 2014 GOLD guidelines.Methods: Patients with COPD included in the Korean Obstructive Lung Disease (KOLD prospective study, who underwent yearly postbronchodilator spirometry at least three times, were included. The main outcome was the annual decline in postbronchodilator forced expiratory volume in 1 second (FEV1, which was analyzed by

  3. Application of the renormalization group to the study of structure function in the deep inelastic scattering

    International Nuclear Information System (INIS)

    Dias, S.A.

    1985-01-01

    The transformation law of truncated pertubation theory observables under changes of renormalization scheme is deduced. Based on this, a criticism of the calculus of the moments of structure functions in deep inelastic scattering, obtaining that the A 2 coefficient not renormalization group invariant is done. The PMS criterion is used to optimize the perturbative productions of the moments, truncated to 2nd order. (author) [pt

  4. β-Diversity of functional groups of woody plants in a tropical dry forest in Yucatan.

    Directory of Open Access Journals (Sweden)

    Jorge Omar López-Martínez

    Full Text Available Two main theories have attempted to explain variation in plant species composition (β-diversity. Niche theory proposes that most of the variation is related to environment (environmental filtering, whereas neutral theory posits that dispersal limitation is the main driver of β-diversity. In this study, we first explored how α- and β-diversity of plant functional groups defined by growth form (trees, shrubs and lianas, which represent different strategies of resource partitioning, and dispersal syndrome (autochory, anemochory and zoochory, which represent differences in dispersal limitation vary with successional age and topographic position in a tropical dry forest. Second, we examined the effects of environmental, spatial, and spatially-structured environmental factors on β-diversity of functional groups; we used the spatial structure of sampling sites as a proxy for dispersal limitation, and elevation, soil properties and forest stand age as indicators of environmental filtering. We recorded 200 species and 22,245 individuals in 276 plots; 120 species were trees, 41 shrubs and 39 lianas. We found that β-diversity was highest for shrubs, intermediate for lianas and lowest for trees, and was slightly higher for zoochorous than for autochorous and anemochorous species. All three dispersal syndromes, trees and shrubs varied in composition among vegetation classes (successional age and topographic position, whilst lianas did not. β-diversity was influenced mostly by proxies of environmental filtering, except for shrubs, for which the influence of dispersal limitation was more important. Stand age and topography significantly influenced α-diversity across functional groups, but showed a low influence on β-diversity -possibly due to the counterbalancing effect of resprouting on plant distribution and composition. Our results show that considering different plant functional groups reveals important differences in both α- and

  5. Patterns of functional diversity of two trophic groups after canopy thinning in an abandoned coppice

    Czech Academy of Sciences Publication Activity Database

    Šipoš, Jan; Hédl, Radim; Hula, V.; Chudomelová, Markéta; Košulič, O.; Niedobová, J.; Riedl, Vladan

    2017-01-01

    Roč. 52, č. 1 (2017), s. 45-58 ISSN 1211-9520 R&D Projects: GA AV ČR IAA600050812; GA MŠk(CZ) EE2.3.20.0267 EU Projects: European Commission(XE) 278065 - LONGWOOD Institutional support: RVO:67985939 Keywords : coppice restoration * functional diversity * trophic groups Subject RIV: EH - Ecology, Behaviour OBOR OECD: Ecology Impact factor: 1.017, year: 2016

  6. Functional Group Interconversion: Decarbonylative Borylation of Esters for the Synthesis of Organoboronates

    KAUST Repository

    Guo, Lin; Rueping, Magnus

    2016-01-01

    A new and efficient nickel-catalyzed decarbonylative borylation reaction of carboxylic acid esters with bis(pinacolato)-diboron has been developed. This transformation allows access to structurally diverse aryl as well as alkenyl and alkyl boronate esters with high reactivity, broad substrate scope, and excellent functional-group tolerance. Further experiments show that this protocol can be carried out on a gram scale and applied to orthogonal synthetic strategies.

  7. Functional Group Interconversion: Decarbonylative Borylation of Esters for the Synthesis of Organoboronates

    KAUST Repository

    Guo, Lin

    2016-09-26

    A new and efficient nickel-catalyzed decarbonylative borylation reaction of carboxylic acid esters with bis(pinacolato)-diboron has been developed. This transformation allows access to structurally diverse aryl as well as alkenyl and alkyl boronate esters with high reactivity, broad substrate scope, and excellent functional-group tolerance. Further experiments show that this protocol can be carried out on a gram scale and applied to orthogonal synthetic strategies.

  8. Exploiting end group functionalization for the design of antifouling bioactive brushes

    Czech Academy of Sciences Publication Activity Database

    Kuzmyn, Andrii; de los Santos Pereira, Andres; Pop-Georgievski, Ognen; Bruns, M.; Brynda, Eduard; Rodriguez-Emmenegger, Cesar

    2014-01-01

    Roč. 5, č. 13 (2014), s. 4124-4131 ISSN 1759-9954 R&D Projects: GA ČR GAP205/12/1702; GA ČR(CZ) GAP108/11/1857; GA MŠk(CZ) ED1.1.00/02.0109 Institutional support: RVO:61389013 Keywords : click chemistry * end-group functionalization * non-fouling Subject RIV: CD - Macromolecular Chemistry Impact factor: 5.520, year: 2014

  9. Renormalization-group decimation technique for spectra, wave-functions and density of states

    International Nuclear Information System (INIS)

    Wiecko, C.; Roman, E.

    1983-09-01

    The Renormalization Group decimation technique is very useful for problems described by 1-d nearest neighbour tight-binding model with or without translational invariance. We show how spectra, wave-functions and density of states can be calculated with little numerical work from the renormalized coefficients upon iteration. The results of this new procedure are verified using the model of Soukoulis and Economou. (author)

  10. A meta-analysis of functional group responses to forest recovery outside of the tropics.

    Science.gov (United States)

    Spake, Rebecca; Ezard, Thomas H G; Martin, Philip A; Newton, Adrian C; Doncaster, C Patrick

    2015-12-01

    Both active and passive forest restoration schemes are used in degraded landscapes across the world to enhance biodiversity and ecosystem service provision. Restoration is increasingly also being implemented in biodiversity offset schemes as compensation for loss of natural habitat to anthropogenic development. This has raised concerns about the value of replacing old-growth forest with plantations, motivating research on biodiversity recovery as forest stands age. Functional diversity is now advocated as a key metric for restoration success, yet it has received little analytical attention to date. We conducted a meta-analysis of 90 studies that measured differences in species richness for functional groups of fungi, lichens, and beetles between old-growth control and planted or secondary treatment forests in temperate, boreal, and Mediterranean regions. We identified functional-group-specific relationships in the response of species richness to stand age after forest disturbance. Ectomycorrhizal fungi averaged 90 years for recovery to old-growth values (between 45 years and unrecoverable at 95% prediction limits), and epiphytic lichens took 180 years to reach 90% of old-growth values (between 140 years and never for recovery to old-growth values at 95% prediction limits). Non-saproxylic beetle richness, in contrast, decreased as stand age of broadleaved forests increased. The slow recovery by some functional groups essential to ecosystem functioning makes old-growth forest an effectively irreplaceable biodiversity resource that should be exempt from biodiversity offsetting initiatives. © 2015 The Authors Conservation Biology published by Wiley Periodicals, Inc. on behalf of Society for Conservation Biology.

  11. Identifying functional groups for response to disturbance in an abandoned pasture

    Science.gov (United States)

    Lavorel, Sandra; Touzard, Blaise; Lebreton, Jean-Dominique; Clément, Bernard

    1998-06-01

    In an abandoned pasture in Brittany, we compared artificial small-scale disturbances to natural disturbances by wild boar and undisturbed vegetation. We developed a multivariate statistical approach which analyses how species biological attributes explain the response of community composition to disturbances. This technique, which reconciles the inductive and deductive approaches for functional classifications, identifies groups of species with similar responses to disturbance and characterizes their biological profiles. After 5 months of recolonization, artificial disturbances had a greater species richness than undisturbed vegetation as a result of recruitment of new species without the exclusion of pre-existing matrix species. Species morphology, described by canopy structure, canopy height and lateral spread, explained a large part (16 %) of community response to disturbance. Regeneration strategies, described by life history, seed mass, dispersal agent, dormancy and the existence of vegetative multiplication, explained a smaller part of community response to disturbance (8 %). Artificial disturbances were characterized by therophyte and compact rosettes with moderately dormant seeds, including a number of Asteraceae and other early successional species. Natural disturbances were colonized by leafy guerrilla species without seed dormancy. Few species were tightly related to undisturbed vegetation and were essentially grasses with a phalanx rosette morphology. The functional classification obtained is consistent with the classification of the community into fugitives, regenerators and persistors. These groups are structured according to Grubb's model for temperate grasslands, with regenerators and persistors in the matrix and fugitives taking advantage of gaps open by small-scale disturbances. The conjunction of functional diversity and species diversity within functional groups is the key to resilience to disturbance, an important ecosystem function.

  12. Which aspects of functioning are relevant for patients with ankylosing spondylitis: results of focus group interviews.

    Science.gov (United States)

    Boonen, Annelies; van Berkel, Monique; Cieza, Alarcos; Stucki, Gerold; van der Heijde, Désirée

    2009-11-01

    To investigate whether concepts important to patients with ankylosing spondylitis (AS) are covered by disease-specific self-report health status instruments. A qualitative focus group study was conducted with AS patients on problems in daily functioning. Group sessions with 4 to 5 patients each were organized up to the point that no new information was brought forward. Group sessions were tape-recorded, transcribed, and divided into meaning units. Concepts contained in the meaning units were extracted. Self-report instruments on health status specific for AS were identified in a literature search. Using the International Classification of Functioning, Disability and Health (ICF) as a common reference, it was determined whether the concepts identified in the focus groups were covered by the instruments. Nineteen patients participated in 4 focus group interviews. In total, 332 unique meaning units were linked to 90 second-level ICF categories, of which 25 referred to body functions, 10 to body structures, 35 to activities and participation and 30 to environmental factors. In addition, several concepts relating to personal factors were identified. Only 47 categories were also covered by one of the self-report instruments in AS. Only a minority of concepts addressed by the AS-specific questionnaires were not revealed as relevant in the interviews. Relevant aspects of the influence of AS are not covered by the classic disease-specific instruments. In particular, the influence of AS on socializing and leisure and the relevance of environmental and personal factors are not adequately assessed by available instruments.

  13. Competing failure analysis in phased-mission systems with multiple functional dependence groups

    International Nuclear Information System (INIS)

    Wang, Chaonan; Xing, Liudong; Peng, Rui; Pan, Zhusheng

    2017-01-01

    A phased-mission system (PMS) involves multiple, consecutive, non-overlapping phases of operation. The system structure function and component failure behavior in a PMS can change from phase to phase, posing big challenges to the system reliability analysis. Further complicating the problem is the functional dependence (FDEP) behavior where the failure of certain component(s) causes other component(s) to become unusable or inaccessible or isolated. Previous studies have shown that FDEP can cause competitions between failure propagation and failure isolation in the time domain. While such competing failure effects have been well addressed in single-phase systems, only little work has focused on PMSs with a restrictive assumption that a single FDEP group exists in one phase of the mission. Many practical systems (e.g., computer systems and networks), however may involve multiple FDEP groups during the mission. Moreover, different FDEP groups can be dependent due to sharing some common components; they may appear in a single phase or multiple phases. This paper makes new contributions by modeling and analyzing reliability of PMSs subject to multiple FDEP groups through a Markov chain-based methodology. Propagated failures with both global and selective effects are considered. Four case studies are presented to demonstrate application of the proposed method. - Highlights: • Reliability of phased-mission systems subject to competing failure propagation and isolation effects is modeled. • Multiple independent or dependent functional dependence groups are considered. • Propagated failures with global effects and selective effects are studied. • Four case studies demonstrate generality and application of the proposed Markov-based method.

  14. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Mierczynska-Vasilev, Agnieszka, E-mail: agnieszka.mierczynska-vasilev@awri.com.au; Smith, Paul A., E-mail: paul.smith@awri.com.au

    2016-11-15

    Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO{sub 3}H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH{sub 2} and NR{sub 3} groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR{sub 3} and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO{sub 3}H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH{sub 2} and −NR{sub 3} groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR{sub 3} and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

  15. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    International Nuclear Information System (INIS)

    Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

    2016-01-01

    Highlights: • Chemical surface composition affects behaviour of wine adsorption. • SO_3H and COOH groups adsorb more of the wine nitrogen-containing compounds. • NH_2 and NR_3 groups encourage carbon-containing compounds adsorption. • Red wine constituents after filtration adsorbed more on NR_3 and CHO surfaces. - Abstract: The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with −SO_3H and –COOH groups can adsorb more of the wine nitrogen-containing compounds whereas −NH_2 and −NR_3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on −NR_3 and –CHO surfaces. The –OH modified surfaces had the lowest ability to absorb wine components.

  16. Functional groups in North Chilean desert shrub species, based on the water sources used

    International Nuclear Information System (INIS)

    Squeo, Francisco A; Olivares, Nancy; Olivares, Sandra; Jorquera, Carmen; Pollastri, Alberto; Aguirre, Evelyn; Aravena, Ramon; Ehleringer, James R

    1999-01-01

    Primary productivity and vegetation structure in arid ecosystems are determined by water availability. In studies conducted in the coastal dry land of North Central Chile (29 degrees 43'S; 71degrees 14'0, 300m), the mechanisms to use different water sources by shrubs species, in two contrasting rainfall years were compared. Information on pheno logical studies, root architecture and water sources used by shrubs through the use of stable isotopes is are discussed. Six functional groups based on water uptake and water use are recognized. The functional groups were defined based on their habits (deciduous and evergreen), their root systems, (shallow, dimorphic and deep), and their ability to use different water sources (surficial and/or deep). Because of the differential impact of the goat overgrazing on different functional groups, this would result on a lower utilization of surficial waters. A management and/or restoration plan should maximize the use of all water sources available to recover the primary productivity and the system stability

  17. Surface modification influencing adsorption of red wine constituents: The role of functional groups

    Science.gov (United States)

    Mierczynska-Vasilev, Agnieszka; Smith, Paul A.

    2016-11-01

    The adsorption of wine constituents at solid surfaces is important in applications such as filtration and membrane fouling, binding to tanks and fittings and interactions with processing aids such as bentonite. The interaction of wine constituents with surfaces is mediated through adsorbed wine components, where the type of constituents, amount, orientation, and conformation are of consequence for the surface response. This study examines the effect of surface chemical functionalities on the adsorption of red wine constituents. Plasma-polymerized films rich in amine, carboxyl, hydroxyl, formyl and methyl functional groups were generated on solid substrates whereas, glycidyltrimethylammonium chloride was covalently attached to allylamine plasma-polymer modified surface and poly(sodium styrenesulfonate) was electrostatically adsorbed to an amine plasma-polymerized surface. The surface chemical functionalities were characterized by X-ray photoelectron spectroscopy. The ability of different substrates to adsorb red wine constituents was evaluated by quartz crystal microbalance and atomic force microscopy. The results showed that substrates modified with -SO3H and -COOH groups can adsorb more of the wine nitrogen-containing compounds whereas -NH2 and -NR3 groups encourage carbon-containing compounds adsorption. Red wine constituents after filtration were adsorbed in higher extend on -NR3 and -CHO surfaces. The -OH modified surfaces had the lowest ability to absorb wine components.

  18. Roles of acidic functional groups of carbon fiber surfaces in enhancing interfacial adhesion behavior

    International Nuclear Information System (INIS)

    Park, Soo-Jin; Kim, Byung-Joo

    2005-01-01

    The gas phase ozone treatment was used as a method to bind acidic oxygen functional groups on carbon fiber surfaces. The ozone treatment on carbon fibers was varied with the ozone concentration and treatment time. Surface analyses of the carbon fibers before and after treatments were performed by FT-IR, X-ray photoelectron spectrometer (XPS), and dynamic contact angle measurements. Mechanical interfacial properties of the fibers/polymer composites were investigated by using critical stress intensity factor (K IC ) and critical energy release rate (G IC ) measurements. From the results of FT-IR and XPS, it was observed that the oxygen functional groups, such as -OH, O-C=O, C=O, and C-O, were attached on the carbon fiber surfaces after the ozone treatment. The mechanical interfacial properties of the composites also showed higher values than those of untreated composites. Ozone treatment is attributed to the increase of both the acidic functional groups and the degree of adhesion at interfaces between the fibers and polymeric resin in composites

  19. Small functional groups for controlled differentiation of hydrogel-encapsulated human mesenchymal stem cells

    Science.gov (United States)

    Benoit, Danielle S. W.; Schwartz, Michael P.; Durney, Andrew R.; Anseth, Kristi S.

    2008-10-01

    Cell-matrix interactions have critical roles in regeneration, development and disease. The work presented here demonstrates that encapsulated human mesenchymal stem cells (hMSCs) can be induced to differentiate down osteogenic and adipogenic pathways by controlling their three-dimensional environment using tethered small-molecule chemical functional groups. Hydrogels were formed using sufficiently low concentrations of tether molecules to maintain constant physical characteristics, encapsulation of hMSCs in three dimensions prevented changes in cell morphology, and hMSCs were shown to differentiate in normal growth media, indicating that the small-molecule functional groups induced differentiation. To our knowledge, this is the first example where synthetic matrices are shown to control induction of multiple hMSC lineages purely through interactions with small-molecule chemical functional groups tethered to the hydrogel material. Strategies using simple chemistry to control complex biological processes would be particularly powerful as they could make production of therapeutic materials simpler, cheaper and more easily controlled.

  20. Interpersonal distance regulates functional grouping tendencies of agents in team sports.

    Science.gov (United States)

    Passos, Pedro; Milho, João; Fonseca, Sofia; Borges, João; Araújo, Duarte; Davids, Keith

    2011-01-01

    The authors examined whether, similar to collective agent behaviors in complex, biological systems (e.g., schools of fish and colonies of ants), performers in team sports displayed functional coordination tendencies, based on local interaction rules during performance. To investigate this issue, they used videogrammetry and digitizing procedures to observe interpersonal interactions in common 4 versus 2 + 2 subphases of the team sport of rugby union, involving 16 participants aged between 16 and 17 years of age. They observed pattern-forming dynamics in attacking subunits (n = 4 players) attempting to penetrate 2 defensive lines (n = 2 players in each). Data showed that within each attacking subunit, the 4 players displayed emergent functional grouping tendencies that differed between the 2 defensive lines. Results confirmed that grouping tendencies in attacking subunits of team games are sensitive to different task constraints, such as relative positioning to nearest defenders. It was concluded that running correlations were particularly useful for measuring the level of interpersonal coordination in functional grouping tendencies within attacking subunits.

  1. String partition functions, Hilbert schemes and affine Lie algebra representations on homology groups

    International Nuclear Information System (INIS)

    Bonora, Loriano; Bytsenko, Andrey; Elizalde, Emilio

    2012-01-01

    This review paper contains a concise introduction to highest weight representations of infinite-dimensional Lie algebras, vertex operator algebras and Hilbert schemes of points, together with their physical applications to elliptic genera of superconformal quantum mechanics and superstring models. The common link of all these concepts and of the many examples considered in this paper is to be found in a very important feature of the theory of infinite-dimensional Lie algebras: the modular properties of the characters (generating functions) of certain representations. The characters of the highest weight modules represent the holomorphic parts of the partition functions on the torus for the corresponding conformal field theories. We discuss the role of the unimodular (and modular) groups and the (Selberg-type) Ruelle spectral functions of hyperbolic geometry in the calculation of elliptic genera and associated q-series. For mathematicians, elliptic genera are commonly associated with new mathematical invariants for spaces, while for physicists elliptic genera are one-loop string partition function. (Therefore, they are applicable, for instance, to topological Casimir effect calculations.) We show that elliptic genera can be conveniently transformed into product expressions, which can then inherit the homology properties of appropriate polygraded Lie algebras. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker’s 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’. (review)

  2. Functional renormalization group approach to interacting three-dimensional Weyl semimetals

    Science.gov (United States)

    Sharma, Anand; Scammell, Arthur; Krieg, Jan; Kopietz, Peter

    2018-03-01

    We investigate the effect of long-range Coulomb interaction on the quasiparticle properties and the dielectric function of clean three-dimensional Weyl semimetals at zero temperature using a functional renormalization group (FRG) approach. The Coulomb interaction is represented via a bosonic Hubbard-Stratonovich field which couples to the fermionic density. We derive truncated FRG flow equations for the fermionic and bosonic self-energies and for the three-legged vertices with two fermionic and one bosonic external legs. We consider two different cutoff schemes—cutoff in fermionic or bosonic propagators—in order to calculate the renormalized quasiparticle velocity and the dielectric function for an arbitrary number of Weyl nodes and the interaction strength. If we approximate the dielectric function by its static limit, our results for the velocity and the dielectric function are in good agreement with that of A. A. Abrikosov and S. D. Beneslavskiĭ [Sov. Phys. JETP 32, 699 (1971)] exhibiting slowly varying logarithmic momentum dependence for small momenta. We extend their result for an arbitrary number of Weyl nodes and finite frequency by evaluating the renormalized velocity in the presence of dynamic screening and calculate the wave function renormalization.

  3. Determination of arterial input function in dynamic susceptibility contrast MRI using group independent component analysis technique

    International Nuclear Information System (INIS)

    Chen, S.; Liu, H.-L.; Yang Yihong; Hsu, Y.-Y.; Chuang, K.-S.

    2006-01-01

    Quantification of cerebral blood flow (CBF) with dynamic susceptibility contrast (DSC) magnetic resonance imaging (MRI) requires the determination of the arterial input function (AIF). The segmentation of surrounding tissue by manual selection is error-prone due to the partial volume artifacts. Independent component analysis (ICA) has the advantage in automatically decomposing the signals into interpretable components. Recently group ICA technique has been applied to fMRI study and showed reduced variance caused by motion artifact and noise. In this work, we investigated the feasibility and efficacy of the use of group ICA technique to extract the AIF. Both simulated and in vivo data were analyzed in this study. The simulation data of eight phantoms were generated using randomized lesion locations and time activity curves. The clinical data were obtained from spin-echo EPI MR scans performed in seven normal subjects. Group ICA technique was applied to analyze data through concatenating across seven subjects. The AIFs were calculated from the weighted average of the signals in the region selected by ICA. Preliminary results of this study showed that group ICA technique could not extract accurate AIF information from regions around the vessel. The mismatched location of vessels within the group reduced the benefits of group study

  4. Radical Initiated Hydrosilylation on Silicon Nanocrystal Surfaces: An Evaluation of Functional Group Tolerance and Mechanistic Study.

    Science.gov (United States)

    Yang, Zhenyu; Gonzalez, Christina M; Purkait, Tapas K; Iqbal, Muhammad; Meldrum, Al; Veinot, Jonathan G C

    2015-09-29

    Hydrosilylation is among the most common methods used for modifying silicon surface chemistry. It provides a wide range of surface functionalities and effective passivation of surface sites. Herein, we report a systematic study of radical initiated hydrosilylation of silicon nanocrystal (SiNC) surfaces using two common radical initiators (i.e., 2,2'-azobis(2-methylpropionitrile) and benzoyl peroxide). Compared to other widely applied hydrosilylation methods (e.g., thermal, photochemical, and catalytic), the radical initiator based approach is particle size independent, requires comparatively low reaction temperatures, and yields monolayer surface passivation after short reaction times. The effects of differing functional groups (i.e., alkene, alkyne, carboxylic acid, and ester) on the radical initiated hydrosilylation are also explored. The results indicate functionalization occurs and results in the formation of monolayer passivated surfaces.

  5. Renormalization group functions of the φ4 theory in the strong coupling limit: Analytical results

    International Nuclear Information System (INIS)

    Suslov, I. M.

    2008-01-01

    The previous attempts of reconstructing the Gell-Mann-Low function β(g) of the φ 4 theory by summing perturbation series give the asymptotic behavior β(g) = β ∞ g in the limit g → ∞, where α = 1 for the space dimensions d = 2, 3, 4. It can be hypothesized that the asymptotic behavior is β(g) ∼ g for all d values. The consideration of the zero-dimensional case supports this hypothesis and reveals the mechanism of its appearance: it is associated with vanishing of one of the functional integrals. The generalization of the analysis confirms the asymptotic behavior β(g) ∼ g in the general d-dimensional case. The asymptotic behaviors of other renormalization group functions are constant. The connection with the zero-charge problem and triviality of the φ 4 theory is discussed

  6. Magneto-Sensitive Adsorbents Modified by Functional Nitrogen-Containing Groups

    Science.gov (United States)

    Melnyk, Inna V.; Gdula, Karolina; Dąbrowski, Andrzej; Zub, Yuriy L.

    2016-02-01

    In order to obtain amino-functionalized silica materials with magnetic core, one-step synthesis was carried out. Several materials, differ in number and structure of amino groups, were synthesized on the basis of sol-gel method. The synthesized materials were examined by several analytical techniques. The presence and content of amino groups were measured by using Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy and acid-base titration, respectively. Specific surface areas were measured by nitrogen/adsorption desorption isotherms. It was proved that sol-gel approach leads to obtain materials with high content of amino groups built into their surfaces (in the range 1.6-2.7 mmol/g). As-obtained materials were tested as potential adsorbents for copper(II) ions. The received maximum adsorption capacities were in the range 0.4-0.7 mmol/g.

  7. 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)

  8. Neutron polarization

    International Nuclear Information System (INIS)

    Firk, F.W.K.

    1976-01-01

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

  9. Exogenous retinoic acid induces digit reduction in opossums (Monodelphis domestica) by disrupting cell death and proliferation, and apical ectodermal ridge and zone of polarizing activity function.

    Science.gov (United States)

    Molineaux, Anna C; Maier, Jennifer A; Schecker, Teresa; Sears, Karen E

    2015-03-01

    Retinoic acid (RA) is a vitamin A derivative. Exposure to exogenous RA generates congenital limb malformations (CLMs) in species from frogs to humans. These CLMs include but are not limited to oligodactyly and long-bone hypoplasia. The processes by which exogenous RA induces CLMs in mammals have been best studied in mouse, but as of yet remain unresolved. We investigated the impact of exogenous RA on the cellular and molecular development of the limbs of a nonrodent model mammal, the opossum Monodelphis domestica. Opossums exposed to exogenous retinoic acid display CLMs including oligodactly, and results are consistent with opossum development being more susceptible to RA-induced disruptions than mouse development. Exposure of developing opossums to exogenous RA leads to an increase in cell death in the limb mesenchyme that is most pronounced in the zone of polarizing activity, and a reduction in cell proliferation throughout the limb mesenchyme. Exogenous RA also disrupts the expression of Shh in the zone of polarizing activity, and Fgf8 in the apical ectodermal ridge, and other genes with roles in the regulation of limb development and cell death. Results are consistent with RA inducing CLMs in opossum limbs by disrupting the functions of the apical ectodermal ridge and zone of polarizing activity, and driving an increase in cell death and reduction of cell proliferation in the mesenchyme of the developing limb. © 2015 Wiley Periodicals, Inc.

  10. Enhancing the efficiency of lithium intercalation in carbon nanotube bundles using surface functional groups.

    Science.gov (United States)

    Xiao, Shiyan; Zhu, Hong; Wang, Lei; Chen, Liping; Liang, Haojun

    2014-08-14

    The effect of surface functionalization on the ability and kinetics of lithium intercalation in carbon nanotube (CNT) bundles has been studied by comparing the dynamical behaviors of lithium (Li) ions in pristine and -NH2 functionalized CNTs via ab initio molecular dynamics simulations. It was observed that lithium intercalation has been achieved quickly for both the pristine and surface functionalized CNT bundle. Our calculations demonstrated for the first time that CNT functionalization improved the efficiency of lithium intercalation significantly at both low and high Li ion density. Moreover, we found that keeping the nanotubes apart with an appropriate distance and charging the battery at a rational rate were beneficial to achieve a high rate of lithium intercalation. Besides, the calculated adsorption energy curves indicated that the potential wells in the system of -NH2 functionalized CNT were deeper than that of the pristine CNT bundle by 0.74 eV, and a third energy minimum with a value of 2.64 eV existed at the midpoint of the central axis of the nanotube. Thus, it would be more difficult to remove Li ions from the nanotube interior after surface functionalization. The barrier for lithium diffusion in the interior of the nanotube is greatly decreased because of the surface functional groups. Based on these results, we would suggest to "damage" the nanotube by introducing defects at its sidewall in order to improve not only the capacity of surface functionalized CNTs but also the efficiency of lithium intercalation and deintercalation processes. Our results presented here are helpful in understanding the mechanism of lithium intercalation into nanotube bundles, which may potentially be applied in the development of CNT based electrodes.

  11. 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...

  12. Complexation of cadmium to sulfur and oxygen functional groups in an organic soil

    Science.gov (United States)

    Karlsson, Torbjörn; Elgh-Dalgren, Kristin; Björn, Erik; Skyllberg, Ulf

    2007-02-01

    Cadmium (Cd) is a toxic trace element and due to human activities soils and waters are contaminated by Cd both on a local and global scale. It is widely accepted that chemical interactions with functional groups of natural organic matter (NOM) is vital for the bioavailability and mobility of trace elements. In this study the binding strength of cadmium (Cd) to soil organic matter (SOM) was determined in an organic (49% organic C) soil as a function of reaction time, pH and Cd concentration. In experiments conducted at native Cd concentrations in soil (0.23 μg g -1 dry soil), halides (Cl, Br) were used as competing ligands to functional groups in SOM. The concentration of Cd in the aqueous phase was determined by isotope-dilution (ID) inductively-coupled-plasma-mass-spectrometry (ICP-MS), and the activity of Cd 2+ was calculated from the well-established Cd-halide constants. At higher Cd loading (500-54,000 μg g -1), the Cd 2+ activity was directly determined by an ion-selective electrode (ISE). On the basis of results from extended X-ray absorption fine structure (EXAFS) spectroscopy, a model with one thiolate group (RS -) was used to describe the complexation (Cd 2+ + RS - ⇆ CdSR +; log KCdSR) at native Cd concentrations. The concentration of thiols (RSH; 0.047 mol kg -1 C) was independently determined by X-ray absorption near-edge structure (XANES) spectroscopy. Log KCdSR values of 11.2-11.6 (p Ka for RSH = 9.96), determined in the pH range 3.1-4.6, compare favorably with stability constants for the association between Cd and well-defined thiolates like glutathione. In the concentration range 500-54,000 μg Cd g -1, a model consisting of one thiolate and one carboxylate (RCOO -) gave the best fit to data, indicating an increasing role for RCOOH groups as RSH groups become saturated. The determined log KCdOOCR of 3.2 (Cd 2+ + RCOO - ⇆ CdOOCR +; log KCdOOCR; p Ka for RCOOH = 4.5) is in accordance with stability constants determined for the association between

  13. The impacts of surface polarity on the solubility of nanoparticle

    International Nuclear Information System (INIS)

    Zhu, Jianzhuo; Su, Jiguo; Ou, Xinwen; Li, Jingyuan

    2016-01-01

    In order to study the dependence of water solubility and hydration behavior of nanoparticles on their surface polarity, we designed polar nanoparticles with varying surface polarity by assigning atomic partial charge to the surface of C60. The water solubility of the nanoparticle is enhanced by several orders of magnitude after the introduction of surface polarity. Nevertheless, when the atomic partial charge grows beyond a certain value (q M ), the solubility continuously decreases to the level of nonpolar nanoparticle. It should be noted that such q M is comparable with atomic partial charge of a variety of functional groups. The hydration behaviors of nanoparticles were then studied to investigate the non-monotonic dependence of solubility on the surface polarity. The interaction between the polar nanoparticle and the hydration water is stronger than the nonpolar counterpart, which should facilitate the dissolution of the nanoparticles. On the other hand, the surface polarity also reduces the interaction of hydration water with the other water molecules and enhances the interaction between the nanoparticles which may hinder their dispersion. Besides, the introduction of surface polarity disturbs and even rearranges the hydration structure of nonpolar nanoparticle. Interestingly, the polar nanoparticle with less ordered hydration structure tends to have higher water solubility.

  14. School Functioning of a Particularly Vulnerable Group: Children and Young People in Residential Child Care

    Directory of Open Access Journals (Sweden)

    Carla González-García

    2017-07-01

    Full Text Available A large proportion of the children and young people in residential child care in Spain are there as a consequence of abuse and neglect in their birth families. Research has shown that these types of adverse circumstances in childhood are risk factors for emotional and behavioral problems, as well as difficulties in adapting to different contexts. School achievement is related to this and represents one of the most affected areas. Children in residential child care exhibit extremely poor performance and difficulties in school functioning which affects their transition to adulthood and into the labor market. The main aim of this study is to describe the school functioning of a sample of 1,216 children aged between 8 and 18 living in residential child care in Spain. The specific needs of children with intellectual disability and unaccompanied migrant children were also analyzed. Relationships with other variables such as gender, age, mental health needs, and other risk factors were also explored. In order to analyze school functioning in this vulnerable group, the sample was divided into different groups depending on school level and educational needs. In the vast majority of cases, children were in primary or compulsory secondary education (up to age 16, this group included a significant proportion of cases in special education centers. The rest of the sample were in vocational training or post-compulsory secondary school. Results have important implications for the design of socio-educative intervention strategies in both education and child care systems in order to promote better school achievement and better educational qualifications in this vulnerable group.

  15. Observation of spin-polarized electron transport in Alq3 by using a low work function metal

    Science.gov (United States)

    Jang, Hyuk-Jae; Pernstich, Kurt P.; Gundlach, David J.; Jurchescu, Oana D.; Richter, Curt. A.

    2012-09-01

    We present the observation of magnetoresistance in Co/Ca/Alq3/Ca/NiFe spin-valve devices. Thin Ca layers contacting 150 nm thick Alq3 enable the injection of spin-polarized electrons into Alq3 due to the engineering of the band alignment. The devices exhibit symmetric current-voltage (I-V) characteristics indicating identical metal contacts on Alq3, and up to 4% of positive magnetoresistance was observed at 4.5 K. In contrast, simultaneously fabricated Co/Alq3/NiFe devices displayed asymmetric I-V curves due to the different metal electrodes, and spin-valve effects were not observed.

  16. ATP-binding motifs play key roles in Krp1p, kinesin-related protein 1, function for bi-polar growth control in fission yeast

    International Nuclear Information System (INIS)

    Rhee, Dong Keun; Cho, Bon A; Kim, Hyong Bai

    2005-01-01

    Kinesin is a microtubule-based motor protein with various functions related to the cell growth and division. It has been reported that Krp1p, kinesin-related protein 1, which belongs to the kinesin heavy chain superfamily, localizes on microtubules and may play an important role in cytokinesis. However, the function of Krp1p has not been fully elucidated. In this study, we overexpressed an intact form and three different mutant forms of Krp1p in fission yeast constructed by site-directed mutagenesis in two ATP-binding motifs or by truncation of the leucine zipper-like motif (LZiP). We observed hyper-extended microtubules and the aberrant nuclear shape in Krp1p-overexpressed fission yeast. As a functional consequence, a point mutation of ATP-binding domain 1 (G89E) in Krp1p reversed the effect of Krp1p overexpression in fission yeast, whereas the specific mutation in ATP-binding domain 2 (G238E) resulted in the altered cell polarity. Additionally, truncation of the leucine zipper-like domain (LZiP) at the C-terminal of Krp1p showed a normal nuclear division. Taken together, we suggest that krp1p is involved in regulation of cell-polarized growth through ATP-binding motifs in fission yeast

  17. Scanning force microscopy study of phase segregation in fuel cell membrane materials as a function of solvent polarity and relative humidity

    Energy Technology Data Exchange (ETDEWEB)

    Hawley, Marilyn Emily [Los Alamos National Laboratory; Kim, Yu S [Los Alamos National Laboratory; Hjelm, Rex P [Los Alamos National Laboratory

    2010-01-01

    Scanning force microscopy (SFM) phase imaging provides a powerful method for directly studying and comparing phase segregation in fuel cell membrane materials due to different preparation and under different temperature and hwnidity exposures. In this work, we explored two parameters that can influence phase segregation: the properties of the solvents used in casting membrane films and how these solvents alter phase segregation after exposure to boiling water as a function of time. SFM was used under ambient conditions to image phase segregation in Nafion samples prepared using five different solvents. Samples were then subjected to water vapor maintained at 100C for periods ranging from 30 minutes to three hours and re-imaged using the same phase imaging conditions. SFM shows what appears to be an increase in phase segregation as a function of solvent polarity that changes as a function of water exposure.

  18. Double logarithmic term Ln2(1/x) in the polarized non singlet structure function at small x in valon model

    International Nuclear Information System (INIS)

    Taghavi Shahri Fatemeh; Arash, F.

    2009-01-01

    We study the low x behavior of non-singlet spin structure Function, of the nucleon in the so-called the valon representation. We find the double logarithmic term Ln 2 (1/x) in the polarized non singlet structure function at small x with using the valon model .The Structure of the valon itself develops through the perturbative dressing of a valence quark in QCD, which is independent of the hosting hadron. The results of non-singlet spin structure Function is in excellent agreement with the experimental data from HERMES collaborations for the entire measured range of x. It also provides an acceptable agreement with the older data from SMC, E143 and E155 experiments. We have further compared our results with those from AA, BB, GRSV, and DNS global fits. (authors)

  19. Understanding Mathematic Concept in Relation and Function Method through Active Learning Type Group to Group Distributed LKS

    Science.gov (United States)

    Kudri, F.; Rahmi, R.; Haryono, Y.

    2018-04-01

    This research is motivated by the lack of understanding of mathematical concepts students and teachers have not familiarize students discussed in groups. This researchaims to determine whether an understanding of mathematical concepts junior class VIII SMPN 2 in Ranah Batahan Kabupaten Pasaman Barat by applying active learning strategy group to group types with LKS better than conventional learning. The type of research is experimental the design of randomized trials on the subject. The population in the study were all students VIII SMPN 2 Ranah Batahan Kabupaten Pasaman Barat in year 2012/2013 which consists of our class room experiment to determine the grade and control class with do nerandomly, so that classes VIII1 elected as a experiment class and class VIII4 as a control class. The instruments used in the test empirically understanding mathematical concepts are shaped by the essay with rt=0,82 greater than rt=0,468 means reliable tests used. The data analysis technique used is the test with the help of MINITAB. Based on the results of the data analisis known that both of the sample are normal and homogenity in real rate α = 0,05, so the hypothesis of this research is received. So, it can be concluded students’ understanding mathematical concept applied the active Group to Group learning strategy with LKS is better than the students’ understanding mathematical concept with Conventional Learning.

  20. The Effect of Functional Roles on Group Efficiency : Using Multilevel Modeling and Content Analysis to Investigate Computer-Supported Collaboration in Small Groups

    NARCIS (Netherlands)

    Strijbos, J.W.; Martens, R.L.; Jochems, W.M.G.; Broers, N.J.

    2004-01-01

    The usefulness of roles to support small group performance can often be read; however, their effect is rarely empirically assessed. This article reports the effects of functional roles on group performance, efficiency, and collaboration during computer-supported collaborative learning. A comparison

  1. Toward a standardized structural-functional group connectome in MNI space.

    Science.gov (United States)

    Horn, Andreas; Blankenburg, Felix

    2016-01-01

    The analysis of the structural architecture of the human brain in terms of connectivity between its subregions has provided profound insights into its underlying functional organization and has coined the concept of the "connectome", a structural description of the elements forming the human brain and the connections among them. Here, as a proof of concept, we introduce a novel group connectome in standard space based on a large sample of 169 subjects from the Enhanced Nathan Kline Institute-Rockland Sample (eNKI-RS). Whole brain structural connectomes of each subject were estimated with a global tracking approach, and the resulting fiber tracts were warped into standard stereotactic (MNI) space using DARTEL. Employing this group connectome, the results of published tracking studies (i.e., the JHU white matter and Oxford thalamic connectivity atlas) could be largely reproduced directly within MNI space. In a second analysis, a study that examined structural connectivity between regions of a functional network, namely the default mode network, was reproduced. Voxel-wise structural centrality was then calculated and compared to others' findings. Furthermore, including additional resting-state fMRI data from the same subjects, structural and functional connectivity matrices between approximately forty thousand nodes of the brain were calculated. This was done to estimate structure-function agreement indices of voxel-wise whole brain connectivity. Taken together, the combination of a novel whole brain fiber tracking approach and an advanced normalization method led to a group connectome that allowed (at least heuristically) performing fiber tracking directly within MNI space. Such an approach may be used for various purposes like the analysis of structural connectivity and modeling experiments that aim at studying the structure-function relationship of the human connectome. Moreover, it may even represent a first step toward a standard DTI template of the human brain

  2. Nitrogen Fixation Aligns with nifH Abundance and Expression in Two Coral Trophic Functional Groups

    KAUST Repository

    Pogoreutz, Claudia

    2017-06-28

    Microbial nitrogen fixation (diazotrophy) is a functional trait widely associated with tropical reef-building (scleractinian) corals. While the integral role of nitrogen fixation in coral nutrient dynamics is recognized, its ecological significance across different coral functional groups remains yet to be evaluated. Here we set out to compare molecular and physiological patterns of diazotrophy (i.e., nifH gene abundance and expression as well as nitrogen fixation rates) in two coral families with contrasting trophic strategies: highly heterotrophic, free-living members of the family Fungiidae (Pleuractis granulosa, Ctenactis echinata), and mostly autotrophic coral holobionts with low heterotrophic capacity (Pocilloporidae: Pocillopora verrucosa, Stylophora pistillata). The Fungiidae exhibited low diazotroph abundance (based on nifH gene copy numbers) and activity (based on nifH gene expression and the absence of detectable nitrogen fixation rates). In contrast, the mostly autotrophic Pocilloporidae exhibited nifH gene copy numbers and gene expression two orders of magnitude higher than in the Fungiidae, which coincided with detectable nitrogen fixation activity. Based on these data, we suggest that nitrogen fixation compensates for the low heterotrophic nitrogen uptake in autotrophic corals. Consequently, the ecological importance of diazotrophy in coral holobionts may be determined by the trophic functional group of the host.

  3. Nitrogen Fixation Aligns with nifH Abundance and Expression in Two Coral Trophic Functional Groups

    KAUST Repository

    Pogoreutz, Claudia; Radecker, Nils; Cardenas, Anny; Gä rdes, Astrid; Wild, Christian; Voolstra, Christian R.

    2017-01-01

    Microbial nitrogen fixation (diazotrophy) is a functional trait widely associated with tropical reef-building (scleractinian) corals. While the integral role of nitrogen fixation in coral nutrient dynamics is recognized, its ecological significance across different coral functional groups remains yet to be evaluated. Here we set out to compare molecular and physiological patterns of diazotrophy (i.e., nifH gene abundance and expression as well as nitrogen fixation rates) in two coral families with contrasting trophic strategies: highly heterotrophic, free-living members of the family Fungiidae (Pleuractis granulosa, Ctenactis echinata), and mostly autotrophic coral holobionts with low heterotrophic capacity (Pocilloporidae: Pocillopora verrucosa, Stylophora pistillata). The Fungiidae exhibited low diazotroph abundance (based on nifH gene copy numbers) and activity (based on nifH gene expression and the absence of detectable nitrogen fixation rates). In contrast, the mostly autotrophic Pocilloporidae exhibited nifH gene copy numbers and gene expression two orders of magnitude higher than in the Fungiidae, which coincided with detectable nitrogen fixation activity. Based on these data, we suggest that nitrogen fixation compensates for the low heterotrophic nitrogen uptake in autotrophic corals. Consequently, the ecological importance of diazotrophy in coral holobionts may be determined by the trophic functional group of the host.

  4. The synthesis of desired functional groups on PEI microgel particles for biomedical and environmental applications

    Science.gov (United States)

    Sahiner, Nurettin; Demirci, Sahin; Sahiner, Mehtap; Al-Lohedan, Hamad

    2015-11-01

    Polyethyleneimine (PEI) microgels were synthesized by micro emulsion polymerization technique and converted to positively charged forms by chemical treatments with various modifying agents with different functional groups, such as 2-bromoethanol (-OH), 4-bromobutyronitrile (-CN), 2-bromoethylamine hydrobromide (-NH2), and glycidol (-OH). The functionalization of PEI microgels was confirmed by FT-IR, TGA and zeta potential measurements. Furthermore, a second modification of the modified PEI microgels was induced on 4-bromo butyronitrile-modified PEI microgels (PEI-CN) by amidoximation, to generate new functional groups on the modified PEI microgels. The PEI and modified PEI microgels were also tested for their antimicrobial effects against various bacteria such as Bacillus subtilis ATCC 6633, Escherichia coli ATCC 8739 and Staphylococcus aureus ATCC 25323. Moreover, the PEI-based particles were used for removal of organic dyes such as methyl orange (MO) and congo red (CR). The absorption capacity of PEI-based microgels increased with modification from 101.8 mg/g to 218.8 mg/g with 2-bromoethylamine, 216.2 m/g with 1-bromoethanol, and 224.5 mg/g with 4-bromobutyronitrile for MO. The increase in absorption for CR dyes was from 347.3 mg/g to 390.4 mg/g with 1-bromoethanol, 399.6 mg/g with glycidol, and 349.9 mg/g with 4-bromobutyronitrile.

  5. Stochastic Geometric Network Models for Groups of Functional and Structural Connectomes

    Science.gov (United States)

    Friedman, Eric J.; Landsberg, Adam S.; Owen, Julia P.; Li, Yi-Ou; Mukherjee, Pratik

    2014-01-01

    Structural and functional connectomes are emerging as important instruments in the study of normal brain function and in the development of new biomarkers for a variety of brain disorders. In contrast to single-network studies that presently dominate the (non-connectome) network literature, connectome analyses typically examine groups of empirical networks and then compare these against standard (stochastic) network models. Current practice in connectome studies is to employ stochastic network models derived from social science and engineering contexts as the basis for the comparison. However, these are not necessarily best suited for the analysis of connectomes, which often contain groups of very closely related networks, such as occurs with a set of controls or a set of patients with a specific disorder. This paper studies important extensions of standard stochastic models that make them better adapted for analysis of connectomes, and develops new statistical fitting methodologies that account for inter-subject variations. The extensions explicitly incorporate geometric information about a network based on distances and inter/intra hemispherical asymmetries (to supplement ordinary degree-distribution information), and utilize a stochastic choice of networks' density levels (for fixed threshold networks) to better capture the variance in average connectivity among subjects. The new statistical tools introduced here allow one to compare groups of networks by matching both their average characteristics and the variations among them. A notable finding is that connectomes have high “smallworldness” beyond that arising from geometric and degree considerations alone. PMID:25067815

  6. Examining Multiple Sources of Differential Item Functioning on the Clinician & Group CAHPS® Survey

    Science.gov (United States)

    Rodriguez, Hector P; Crane, Paul K

    2011-01-01

    Objective To evaluate psychometric properties of a widely used patient experience survey. Data Sources English-language responses to the Clinician & Group Consumer Assessment of Healthcare Providers and Systems (CG-CAHPS®) survey (n = 12,244) from a 2008 quality improvement initiative involving eight southern California medical groups. Methods We used an iterative hybrid ordinal logistic regression/item response theory differential item functioning (DIF) algorithm to identify items with DIF related to patient sociodemographic characteristics, duration of the physician–patient relationship, number of physician visits, and self-rated physical and mental health. We accounted for all sources of DIF and determined its cumulative impact. Principal Findings The upper end of the CG-CAHPS® performance range is measured with low precision. With sensitive settings, some items were found to have DIF. However, overall DIF impact was negligible, as 0.14 percent of participants had salient DIF impact. Latinos who spoke predominantly English at home had the highest prevalence of salient DIF impact at 0.26 percent. Conclusions The CG-CAHPS® functions similarly across commercially insured respondents from diverse backgrounds. Consequently, previously documented racial and ethnic group differences likely reflect true differences rather than measurement bias. The impact of low precision at the upper end of the scale should be clarified. PMID:22092021

  7. Impact of weather on dynamics of plant functional groups in an abandoned limestone grassland

    Directory of Open Access Journals (Sweden)

    Zbigniew Dzwonko

    2011-12-01

    Full Text Available We examined to what extend the rate and direction of changes in unmanaged grassland depend on fluctuations in climatic conditions. Vegetation data from permanent plots in a semi-natural grassland in southern Poland collected over 12 years were used. Relations between weather variables, time, and the cover of 41 more frequent species and 14 plant functional groups were analysed. The greatest effect on the dynamics of species and functional groups had precipitation in spring and/or early summer, particularly in the current year. The majority of plant groups were significantly affected also by the temperature in spring and early summer in one of the three previous years. During 12 years, the cover of annuals and biennials, short plants, and plants with small leaves decreased, while the cover of taller plants, plants with larger leaves, and with vegetative spread increased. The analyses suggest that these successional changes were not directly associated with climatic conditions but were affected by them indirectly through interspecific competition. The fluctuations in climatic conditions, chiefly precipitation, had a significant effect on both the composition and the rate of changes in abandoned grassland. The increase in the cover of tall perennial species with broad leaves hindered succession towards woodland despite of the presence of woods in the closed vicinity. It can be expected that during drier periods colonisation of grassland by later successional species could be easier.

  8. Risk associated with toxic blooms of marine phytoplankton functional groups on Artemia franciscana

    Directory of Open Access Journals (Sweden)

    Ana D’ors

    2014-08-01

    Full Text Available Objective: To study mortality of copepod Artemia franciscana against the occurrence of harmful marine algae and possible toxicological changes exhibited by binary and tertiary combinations of these harmful algae toxins. Methods: Tweenty four hours acute toxicity assays were performed with selected concentrations of Alexandrium minutum, Prorocentrum lima and Nitzschia N1c1 living cells. Additionally, the results were analyzed using the median-effect/combination index (CI-isobologram equation to assess possible changes in the toxic effect induced by phytoplankton functional groups. Results: Biotoxin equivalent values obtained by immunodetection were (2.12±0.10, (8.60±1.30 and (4.32±1.67 pg/cell for saxitoxin, okadaic acid and domoic acid, respectively. The 24-h LC50 values estimated to saxitoxin and okadaic acid equivalents were 4.06 and 6.27 µg/L, significantly below the value obtained for Nitzschia N1c1, which was established at 467.33 µg/L. CI analysis applied on phytoplankton assemblages showed that both ternary mixture as the binary combinations exhibited antagonic action on toxic effects in Artemia nauplii, which were significantly lower than the toxic effect exhibited by each species studied. Conclusions: These results show that, although these harmful algae represent a serious risk to estuarine zooplankton community, the presence of phytoplankton functional groups within the same bloom can reduce the potential risk compared to the expected risk when each of the phytoplankton groups are evaluated individually.

  9. Acidic surface functional groups and mineral elements in Lakra coal (Sindh, Pakistan)

    International Nuclear Information System (INIS)

    Saeed, K.; Ishaq, M.; Ahjmad, I.; Shakirullah, M.; Haider, S.

    2010-01-01

    Surface acidity of virgin coal (Lakra Sindh, Pakistan) and variously extracted/leached coal samples with HNO/sub 3/ NaOH, and KMnO/sub 4/, were investigated by aqueous potentiometric titration employing KOH as a titrant. The titration curve of virgin coal showed that its surface might contain carboxylic, carbonyl, phenolic and other weak acidic functional groups such as enols and C-H bond. The titration curves of leached coal samples showed inflections at pH 4-11, being not similar the inflections of carboxylic groups. This inflection might be given by functional groups like CO/sub 2/, phenolic, enols and C-H. Mineral matter such as Fe, K, Zn, Mn and Ni were determined in the ash of coal by atomic absorption spectrophotometer and was found that Fe (3104 micro g/g) in the highest and Ni (36.05 micro g/g) in the lowest quantity is present in virgin coal sample. (author)

  10. The spin-dependent structure function $g_1(x)$ of the proton from polarized deep-inelastic muon scattering

    CERN Document Server

    AUTHOR|(CDS)2067425; Arvidson, A; Badelek, B; Bardin, G; Baum, G; Berglund, P; Betev, L; Birsa, R; De Botton, N R; Bradamante, Franco; Bravar, A; Bressan, A; Bültmann, S; Burtin, E; Crabb, D; Cranshaw, J; Çuhadar-Dönszelmann, T; Dalla Torre, S; Van Dantzig, R; Derro, B R; Deshpande, A A; Dhawan, S K; Dulya, C M; Eichblatt, S; Fasching, D; Feinstein, F; Fernández, C; Forthmann, S; Frois, Bernard; Gallas, A; Garzón, J A; Gilly, H; Giorgi, M A; Görtz, S; Gracia, G; De Groot, N; Haft, K; Von Harrach, D; Hasegawa, T; Hautle, P; Hayashi, N; Heusch, C A; Horikawa, N; Hughes, V W; Igo, G; Ishimoto, S; Iwata, T; Kabuss, E M; Kageya, T; Karev, A G; Ketel, T; Kiryluk, J; Kiselev, Yu F; Krivokhizhin, V G; Kröger, W; Kukhtin, V V; Kurek, K; Kyynäräinen, J; Lamanna, M; Landgraf, U; Le Goff, J M; Lehár, F; de Lesquen, A; Lichtenstadt, J; Litmaath, M; Magnon, A; Mallot, G K; Marie, F; Martin, A; Martino, J; Matsuda, T; Mayes, B W; McCarthy, J S; Medved, K S; Meyer, W T; Van Middelkoop, G; Miller, D; Miyachi, Y; Mori, K; Moromisato, J H; Nassalski, J P; Naumann, Lutz; Niinikoski, T O; Oberski, J; Ogawa, A; Grosse-Perdekamp, M; Pereira, H; Perrot-Kunne, F; Peshekhonov, V D; Pinsky, L; Platchkov, S K; Pló, M; Pose, D; Postma, H; Pretz, J; Puntaferro, R; Rädel, G; Rijllart, A; Reicherz, G; Rodríguez, M; Rondio, Ewa; Roscherr, B; Sabo, I; Saborido, J; Sandacz, A; Savin, I A; Schiavon, R P; Schiller, A; Sichtermann, E P; Simeoni, F; Smirnov, G I; Staude, A; Steinmetz, A; Stiegler, U; Stuhrmann, H B; Szleper, M; Tessarotto, F; Thers, D; Tlaczala, W; Tripet, A; Ünel, G; Velasco, M; Vogt, J; Voss, Rüdiger; Whitten, C; Windmolders, R; Wislicki, W; Witzmann, A; Ylöstalo, J; Zanetti, A M; Zaremba, K

    1997-01-01

    We present a new measurement of the virtual photon proton asymmetry $A_1^{\\rm p}$ from deep inelastic scattering of polarized muons on polarized protons in the kinematic range $0.0008 1$ GeV$^{2}$. A perturbative QCD evolution in next-to-leading order is used to determine $g_1^{\\rm p}(x)$ at a constant $Q^2$. At $Q^{2} = 10$ GeV$^{2}$ we find, in the measured range, $\\int_{0.003}^{0.7} g_{1}^{\\rm p}(x){\\rm d}x = 0.139 \\pm 0.006~({\\rm stat})\\pm 0.008~({\\rm syst)} \\pm 0.006~({\\rm evol})$. The value of the first moment $\\Gamma_{1}^{\\rm p} = \\int_{0}^{1} g_{1}^{\\rm p}(x){\\rm d}x$ of $g_{1}^{\\rm p}$ depends on the approach used to describe the behaviour of $g_{1}^{\\rm p}$ at low $x$. We find that the Ellis-Jaffe sum rule is violated. With our published result for $\\Gamma_{1}^{\\rm d}$ we confirm the Bjorken sum rule with an accuracy of $\\approx 15\\%$ at the one standard deviation level.

  11. A generalized Wigner function on the space of irreducible representations of the Weyl-Heisenberg group and its transformation properties

    International Nuclear Information System (INIS)

    Ibort, A; Man'ko, V I; Marmo, G; Simoni, A; Ventriglia, F

    2009-01-01

    A natural extension of the Wigner function to the space of irreducible unitary representations of the Weyl-Heisenberg group is discussed. The action of the automorphisms group of the Weyl-Heisenberg group onto Wigner functions and their generalizations and onto symplectic tomograms is elucidated. Some examples of physical systems are considered to illustrate some aspects of the characterization of the Wigner functions as solutions of differential equations

  12. Thermal regulation of functional groups in running water ecosystems. Progress report, October 1, 1975--June 30, 1976

    Energy Technology Data Exchange (ETDEWEB)

    Cummins, K.W.; Klug, M.J.

    1976-07-01

    Progress is reported on the following research projects: characterization of functional groups of running water organisms, particularly macroconsumers; studies on relationship of functional groups to qualitative and quantitative characteristics of organic inputs to stream ecosystems; studies on relationship of functional groups to thermal regimes; and dimensioning the control of feeding and growth by temperature and food quality and quantity and determining the extent of compensatory action of each. (HLW)

  13. The Effectiveness of a Multidisciplinary Group Rehabilitation Program on the Psychosocial Functioning of Elderly People Who Are Visually Impaired

    NARCIS (Netherlands)

    Alma, Manna A.; Groothoff, Johan W.; Melis-Dankers, Bart J. M.; Suurmeijer, Theodorus; van der Mei, Sijrike F.

    2013-01-01

    Introduction: The pilot study reported here determined the effectiveness of a multidisciplinary group rehabilitation program, Visually Impaired Elderly Persons Participating (VIPP), on psychosocial functioning. Methods: The single-group pretest-posttest pilot study included 29 persons with visual

  14. Controlling noncovalent interactions between a lysine-rich α-helical peptide and self-assembled monolayers of alkanethiols on Au through functional group diversity

    Energy Technology Data Exchange (ETDEWEB)

    Raigoza, Annette F.; Onyirioha, Kristeen; Webb, Lauren J., E-mail: lwebb@cm.utexas.edu

    2017-02-28

    Highlights: • Functional variety in SAMs control covalent binding of proteins to surfaces. • Peptide density on Au(111) surfaces controlled by SAM functional groups. • Affinity between biomolecule and SAM surface follows a Langmuir isotherm. • Surface chemistry can mimic functional group diversity in proteins and peptides. - Abstract: Reliably attaching a structured biomolecule to an inorganic substrate would enable the preparation of surfaces that incorporate both biological and inorganic functions and structures. To this end, we have previously developed a procedure using the copper(I)-catalyzed click reaction to tether synthetic α-helical peptides carrying two alkyne groups to well-ordered alkanethiol self-assembled monolayers (SAM) on a Au(111) surface, in which the SAM is composed of a mixture of methyl and azide termination. Proteins, however, are composed of many diverse functional groups, and this composition directly effects protein structure, interactions, and reactivity. Here, we explore the utility of mixed SAMs with alternative terminating functional groups to tune and direct the reactivity of the surface through noncovalent peptide-surface interactions. We study both polar surfaces (OH-terminated) and charged surfaces (COOH- and NH{sub 3}-terminated, which are negatively and positively charged, respectively, under our reaction conditions). Surfaces were functionalized with a bipolar peptide composed of Lys and Leu residues that could express different interactions through either hydrophilic and/or charge (Lys) or hydrophobic (Leu) influences. X-ray photoelectron spectroscopy (XPS) and surface infrared spectroscopy were used to characterize surfaces at all stages of the peptide functionalization procedure. This strategy resulted in a high density of surface-bound α-helices without aggregation. Mixed SAMs that included a positively charged alkanethiol along with the azide-terminated thiol resulted in a more efficient reaction and better

  15. Controlling noncovalent interactions between a lysine-rich α-helical peptide and self-assembled monolayers of alkanethiols on Au through functional group diversity

    International Nuclear Information System (INIS)

    Raigoza, Annette F.; Onyirioha, Kristeen; Webb, Lauren J.

    2017-01-01

    Highlights: • Functional variety in SAMs control covalent binding of proteins to surfaces. • Peptide density on Au(111) surfaces controlled by SAM functional groups. • Affinity between biomolecule and SAM surface follows a Langmuir isotherm. • Surface chemistry can mimic functional group diversity in proteins and peptides. - Abstract: Reliably attaching a structured biomolecule to an inorganic substrate would enable the preparation of surfaces that incorporate both biological and inorganic functions and structures. To this end, we have previously developed a procedure using the copper(I)-catalyzed click reaction to tether synthetic α-helical peptides carrying two alkyne groups to well-ordered alkanethiol self-assembled monolayers (SAM) on a Au(111) surface, in which the SAM is composed of a mixture of methyl and azide termination. Proteins, however, are composed of many diverse functional groups, and this composition directly effects protein structure, interactions, and reactivity. Here, we explore the utility of mixed SAMs with alternative terminating functional groups to tune and direct the reactivity of the surface through noncovalent peptide-surface interactions. We study both polar surfaces (OH-terminated) and charged surfaces (COOH- and NH_3-terminated, which are negatively and positively charged, respectively, under our reaction conditions). Surfaces were functionalized with a bipolar peptide composed of Lys and Leu residues that could express different interactions through either hydrophilic and/or charge (Lys) or hydrophobic (Leu) influences. X-ray photoelectron spectroscopy (XPS) and surface infrared spectroscopy were used to characterize surfaces at all stages of the peptide functionalization procedure. This strategy resulted in a high density of surface-bound α-helices without aggregation. Mixed SAMs that included a positively charged alkanethiol along with the azide-terminated thiol resulted in a more efficient reaction and better alignment

  16. Functional groups in a single pteridosperm species: Variability and circumscription (Pennsylvanian, Nova Scotia, Canada)

    Science.gov (United States)

    Zodrow, E.L.; Mastalerz, Maria

    2007-01-01

    Multiple foliar specimens of the Late Pennsylvanian fossil pteridosperm [gymnosperm] Alethopteris zeilleri (Ragot) Wagner were collected from one restricted stratigraphical horizon in the Canadian Sydney Coalfield. Variability of functional-group distribution using FTIR technique was studied in compressions, adaxial versus abaxial cuticles, and in unseparated cuticles as a function of maceration time from 48 to 168??h. The results obtained document spectral variability that could be expected within specimens of one species. For example, CH2/CH3 and Al/ox ratios can differ by as much as 20% of the values. Moreover, the experiments performed confirm that by using a previously established maceration protocol, long maceration periods do not bias FTIR spectra in terms of oxygenation overprinting. The inference that this cuticle is robust, under the given diagenetic level, probably reflects a reassuring degree of chemical fidelity of the Pennsylvanian plant to support Carboniferous chemotaxonomic observations. ?? 2006 Elsevier B.V. All rights reserved.

  17. Truncation effects in the functional renormalization group study of spontaneous symmetry breaking

    International Nuclear Information System (INIS)

    Defenu, N.; Mati, P.; Márián, I.G.; Nándori, I.; Trombettoni, A.

    2015-01-01

    We study the occurrence of spontaneous symmetry breaking (SSB) for O(N) models using functional renormalization group techniques. We show that even the local potential approximation (LPA) when treated exactly is sufficient to give qualitatively correct results for systems with continuous symmetry, in agreement with the Mermin-Wagner theorem and its extension to systems with fractional dimensions. For general N (including the Ising model N=1) we study the solutions of the LPA equations for various truncations around the zero field using a finite number of terms (and different regulators), showing that SSB always occurs even where it should not. The SSB is signalled by Wilson-Fisher fixed points which for any truncation are shown to stay on the line defined by vanishing mass beta functions.

  18. Functional renormalization group approach to the Yang-Lee edge singularity

    Energy Technology Data Exchange (ETDEWEB)

    An, X. [Department of Physics, University of Illinois at Chicago,845 W. Taylor St., Chicago, IL 60607 (United States); Mesterházy, D. [Albert Einstein Center for Fundamental Physics, University of Bern,Sidlerstrasse 5, 3012 Bern (Switzerland); Stephanov, M.A. [Department of Physics, University of Illinois at Chicago,845 W. Taylor St., Chicago, IL 60607 (United States)

    2016-07-08

    We determine the scaling properties of the Yang-Lee edge singularity as described by a one-component scalar field theory with imaginary cubic coupling, using the nonperturbative functional renormalization group in 3≤d≤6 Euclidean dimensions. We find very good agreement with high-temperature series data in d=3 dimensions and compare our results to recent estimates of critical exponents obtained with the four-loop ϵ=6−d expansion and the conformal bootstrap. The relevance of operator insertions at the corresponding fixed point of the RG β functions is discussed and we estimate the error associated with O(∂{sup 4}) truncations of the scale-dependent effective action.

  19. Preparation of magnetic latexes functionalized with chloromethyl groups via emulsifier-free miniemulsion polymerization

    International Nuclear Information System (INIS)

    Faridi-Majidi, Reza; Sharifi-Sanjani, Naser

    2007-01-01

    Functionalized crosslinked polystyrene-co-divinylbenzene-co-chloromethylstyrene magnetic latex particles were prepared via emulsifier-free miniemulsion polymerization using 2, 2' azobis (2-amidinopropane) dihydrochloride (V-50) as an initiator and in the presence of magnetite nanoparticles in the monomers. Transmission electron microscopy (TEM) proved the presence of magnetite nanoparticles in polymer particles. Differential scanning calorimetery (DSC) analysis of the product showed an exothermic signal due to crosslinking of chains through electrophilic aromatic substitution of phenyl groups with chloromethyl groups in the presence of the dispersed Fe 3 O 4 as Lewis acid. This was proven by thermogravimetric analysis (TGA) via the loss of gaseous HCl. The results were also compared with those of magnetite-free miniemulsion polymerization using V-50

  20. Preparation of magnetic latexes functionalized with chloromethyl groups via emulsifier-free miniemulsion polymerization

    Energy Technology Data Exchange (ETDEWEB)

    Faridi-Majidi, Reza [School of Chemistry, University College of Science, Tehran University, Tehran (Iran, Islamic Republic of)]. E-mail: refaridi@khayam.ut.ac.ir; Sharifi-Sanjani, Naser [School of Chemistry, University College of Science, Tehran University, Tehran (Iran, Islamic Republic of)

    2007-04-15

    Functionalized crosslinked polystyrene-co-divinylbenzene-co-chloromethylstyrene magnetic latex particles were prepared via emulsifier-free miniemulsion polymerization using 2, 2' azobis (2-amidinopropane) dihydrochloride (V-50) as an initiator and in the presence of magnetite nanoparticles in the monomers. Transmission electron microscopy (TEM) proved the presence of magnetite nanoparticles in polymer particles. Differential scanning calorimetery (DSC) analysis of the product showed an exothermic signal due to crosslinking of chains through electrophilic aromatic substitution of phenyl groups with chloromethyl groups in the presence of the dispersed Fe{sub 3}O{sub 4} as Lewis acid. This was proven by thermogravimetric analysis (TGA) via the loss of gaseous HCl. The results were also compared with those of magnetite-free miniemulsion polymerization using V-50.

  1. Quantum gravity and the functional renormalization group the road towards asymptotic safety

    CERN Document Server

    Reuter, Martin

    2018-01-01

    During the past two decades the gravitational asymptotic safety scenario has undergone a major transition from an exotic possibility to a serious contender for a realistic theory of quantum gravity. It aims at a mathematically consistent quantum description of the gravitational interaction and the geometry of spacetime within the realm of quantum field theory, which keeps its predictive power at the highest energies. This volume provides a self-contained pedagogical introduction to asymptotic safety, and introduces the functional renormalization group techniques used in its investigation, along with the requisite computational techniques. The foundational chapters are followed by an accessible summary of the results obtained so far. It is the first detailed exposition of asymptotic safety, providing a unique introduction to quantum gravity and it assumes no previous familiarity with the renormalization group. It serves as an important resource for both practising researchers and graduate students entering thi...

  2. The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups

    Science.gov (United States)

    Baryshnikov, G. V.; Minaeva, V. A.; Minaev, B. F.; Grigoras, M.

    2018-01-01

    We study the features of the electronic structure and the IR, UV, and visible spectra of a series of triphenylamines substituted with phenylethynyl groups. The analysis is performed at the level of the density functional theory (DFT) and its nonstationary version in comparison with the experimental data of IR and electron spectroscopy. It is shown that, in the excited state, there is a change in the alternation of single, double, and triple bonds in accordance with the character of bonding and antibonding in the lowest vacant molecular orbital. The gradual introduction of additional phenylethynyl groups does not cause frequency shifts in the IR spectra of the molecules under study, but significantly affects the intensity of the corresponding IR bands. A similar effect is also observed in the electronic-absorption spectra of these compounds. This can be used for optical tuning of triphenylamines as promising materials for organic light-emitting diodes and solar cells.

  3. Functional subdivision of group-ICA results of fMRI data collected during cinema viewing.

    Directory of Open Access Journals (Sweden)

    Siina Pamilo

    Full Text Available Independent component analysis (ICA can unravel functional brain networks from functional magnetic resonance imaging (fMRI data. The number of the estimated components affects both the spatial pattern of the identified networks and their time-course estimates. Here group-ICA was applied at four dimensionalities (10, 20, 40, and 58 components to fMRI data collected from 15 subjects who viewed a 15-min silent film ("At land" by Maya Deren. We focused on the dorsal attention network, the default-mode network, and the sensorimotor network. The lowest dimensionalities demonstrated most prominent activity within the dorsal attention network, combined with the visual areas, and in the default-mode network; the sensorimotor network only appeared with ICA comprising at least 20 components. The results suggest that even very low-dimensional ICA can unravel the most prominent functionally-connected brain networks. However, increasing the number of components gives a more detailed picture and functionally feasible subdivision of the major networks. These results improve our understanding of the hierarchical subdivision of brain networks during viewing of a movie that provides continuous stimulation embedded in an attention-directing narrative.

  4. Functional subdivision of group-ICA results of fMRI data collected during cinema viewing.

    Science.gov (United States)

    Pamilo, Siina; Malinen, Sanna; Hlushchuk, Yevhen; Seppä, Mika; Tikka, Pia; Hari, Riitta

    2012-01-01

    Independent component analysis (ICA) can unravel functional brain networks from functional magnetic resonance imaging (fMRI) data. The number of the estimated components affects both the spatial pattern of the identified networks and their time-course estimates. Here group-ICA was applied at four dimensionalities (10, 20, 40, and 58 components) to fMRI data collected from 15 subjects who viewed a 15-min silent film ("At land" by Maya Deren). We focused on the dorsal attention network, the default-mode network, and the sensorimotor network. The lowest dimensionalities demonstrated most prominent activity within the dorsal attention network, combined with the visual areas, and in the default-mode network; the sensorimotor network only appeared with ICA comprising at least 20 components. The results suggest that even very low-dimensional ICA can unravel the most prominent functionally-connected brain networks. However, increasing the number of components gives a more detailed picture and functionally feasible subdivision of the major networks. These results improve our understanding of the hierarchical subdivision of brain networks during viewing of a movie that provides continuous stimulation embedded in an attention-directing narrative.

  5. Functional Subdivision of Group-ICA Results of fMRI Data Collected during Cinema Viewing

    Science.gov (United States)

    Pamilo, Siina; Malinen, Sanna; Hlushchuk, Yevhen; Seppä, Mika; Tikka, Pia; Hari, Riitta

    2012-01-01

    Independent component analysis (ICA) can unravel functional brain networks from functional magnetic resonance imaging (fMRI) data. The number of the estimated components affects both the spatial pattern of the identified networks and their time-course estimates. Here group-ICA was applied at four dimensionalities (10, 20, 40, and 58 components) to fMRI data collected from 15 subjects who viewed a 15-min silent film (“At land” by Maya Deren). We focused on the dorsal attention network, the default-mode network, and the sensorimotor network. The lowest dimensionalities demonstrated most prominent activity within the dorsal attention network, combined with the visual areas, and in the default-mode network; the sensorimotor network only appeared with ICA comprising at least 20 components. The results suggest that even very low-dimensional ICA can unravel the most prominent functionally-connected brain networks. However, increasing the number of components gives a more detailed picture and functionally feasible subdivision of the major networks. These results improve our understanding of the hierarchical subdivision of brain networks during viewing of a movie that provides continuous stimulation embedded in an attention-directing narrative. PMID:22860044

  6. Metaproteomics of Colonic Microbiota Unveils Discrete Protein Functions among Colitic Mice and Control Groups.

    Science.gov (United States)

    Moon, Clara; Stupp, Gregory S; Su, Andrew I; Wolan, Dennis W

    2018-02-01

    Metaproteomics can greatly assist established high-throughput sequencing methodologies to provide systems biological insights into the alterations of microbial protein functionalities correlated with disease-associated dysbiosis of the intestinal microbiota. Here, the authors utilize the well-characterized murine T cell transfer model of colitis to find specific changes within the intestinal luminal proteome associated with inflammation. MS proteomic analysis of colonic samples permitted the identification of ≈10 000-12 000 unique peptides that corresponded to 5610 protein clusters identified across three groups, including the colitic Rag1 -/- T cell recipients, isogenic Rag1 -/- controls, and wild-type mice. The authors demonstrate that the colitic mice exhibited a significant increase in Proteobacteria and Verrucomicrobia and show that such alterations in the microbial communities contributed to the enrichment of specific proteins with transcription and translation gene ontology terms. In combination with 16S sequencing, the authors' metaproteomics-based microbiome studies provide a foundation for assessing alterations in intestinal luminal protein functionalities in a robust and well-characterized mouse model of colitis, and set the stage for future studies to further explore the functional mechanisms of altered protein functionalities associated with dysbiosis and inflammation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization.

    Science.gov (United States)

    Reddy, Th Dhileep N; Mallik, Bhabani S

    2017-04-19

    This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.

  8. A functional renormalization group application to the scanning tunneling microscopy experiment

    Directory of Open Access Journals (Sweden)

    José Juan Ramos Cárdenas

    2015-12-01

    Full Text Available We present a study of a system composed of a scanning tunneling microscope (STM tip coupled to an absorbed impurity on a host surface using the functional renormalization group (FRG. We include the effect of the STM tip as a correction to the self-energy in addition to the usual contribution of the host surface in the wide band limit. We calculate the differential conductance curves at two different lateral distances from the quantum impurity and find good qualitative agreement with STM experiments where the differential conductance curves evolve from an antiresonance to a Lorentzian shape.

  9. Positive experience in introduction of functional group control at NPPs. What are the future prospects

    International Nuclear Information System (INIS)

    Fedorov, O.M.; Antonyuk, A.S.

    1989-01-01

    Experience in introduction of functional group control (FGC) on the basis of the ULU2-computer at the Rovno-3 NPP unit is generalized. A list of additional improvements realized during subsystems RY (steam generator blowing through) and TZ (special waste water system) introduction in the NPP reactor compartment is given. Reguirements to equipment, FGC actuating mechanisms, technological part of the design, necessary for FGC realization, are formulated. FGC relieves NPP operator of routine operations, reduces his fatigue and increases sharply the technological discipline. Rigorous standardization of designs and equipment and centralized management are reguired for FGC introduction at the operating NPPs

  10. Mapping Plant Functional Groups in Subalpine Grassland of the Greater Caucasus

    Directory of Open Access Journals (Sweden)

    Anja Magiera

    2018-02-01

    Full Text Available Plant functional groups—in our case grass, herbs, and legumes—and their spatial distribution can provide information on key ecosystem functions such as species richness, nitrogen fixation, and erosion control. Knowledge about the spatial distribution of plant functional groups provides valuable information for grassland management. This study described and mapped the distribution of grass, herb, and legume coverage of the subalpine grassland in the high-mountain Kazbegi region, Greater Caucasus, Georgia. To test the applicability of new sensors, we compared the predictive power of simulated hyperspectral canopy reflectance, simulated multispectral reflectance, simulated vegetation indices, and topographic variables for modeling plant functional groups. The tested grassland showed characteristic differences in species richness; in grass, herb, and legume coverage; and in connected structural properties such as yield. Grass (Hordeum brevisubulatum was dominant in biomass-rich hay meadows. Herb-rich grassland featured the highest species richness and evenness, whereas legume-rich grassland was accompanied by a high coverage of open soil and showed dominance of a single species, Astragalus captiosus. The best model fits were achieved with a combination of reflectance, vegetation indices, and topographic variables as predictors. Random forest models for grass, herb, and legume coverage explained 36%, 25%, and 37% of the respective variance, and their root mean square errors varied between 12–15%. Hyperspectral and multispectral reflectance as predictors resulted in similar models. Because multispectral data are more easily available and often have a higher spatial resolution, we suggest using multispectral parameters enhanced by vegetation indices and topographic parameters for modeling grass, herb, and legume coverage. However, overall model fits were merely moderate, and further testing, including stronger gradients and the addition of

  11. Grafting of phosphorylcholine functional groups on polycarbonate urethane surface for resisting platelet adhesion

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Bin [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Feng, Yakai, E-mail: yakaifeng@hotmail.com [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China); Key Laboratory of Systems Bioengineering, Ministry of Education, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Lu, Jian; Zhang, Li; Zhao, Miao; Shi, Changcan; Khan, Musammir [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Guo, Jintang [School of Chemical Engineering and Technology, Tianjin University, Weijin Road 92, Tianjin 300072 (China); Tianjin University-Helmholtz-Zentrum Geesthacht, Joint Laboratory for Biomaterials and Regenerative Medicine, Weijin Road 92, 300072 Tianjin (China)

    2013-07-01

    In order to improve the resistance of platelet adhesion on material surface, 2-methacryloyloxyethyl phosphorylcholine (MPC) was grafted onto polycarbonate urethane (PCU) surface via Michael reaction to create biomimetic structure. After introducing primary amine groups via coupling tris(2-aminoethyl)amine (TAEA) onto the polymer surface, the double bond of MPC reacted with the amino group to obtain MPC modified PCU. The modified surface was characterized by Fourier transform infrared (FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS). The results verified that MPC was grafted onto PCU surface by Michael reaction method. The MPC grafted PCU surface had a low water contact angle and a high water uptake. This means that the hydrophilic PC functional groups improved the surface hydrophilicity significantly. In addition, surface morphology of MPC grafted PCU film was imaged by atomic force microscope (AFM). The results showed that the grafted surface was rougher than the blank PCU surface. In addition, platelet adhesion study was evaluated by scanning electron microscopy (SEM) observation. The PCU films after treated with platelet-rich plasma demonstrated that much fewer platelets adhered to the MPC-grafted PCU surface than to the blank PCU surface. The antithrombogenicity of the MPC-grafted PCU surface was determined by the activated partial thromboplastin time (APTT). The result suggested that the MPC modified PCU may have potential application as biomaterials in blood-contacting and some subcutaneously implanted devices. - Highlights: • MPC was successfully grafted onto polycarbonate urethane surface via Michael reaction. • High concentration of PC functional groups on the surface via TAEA molecule • Biomimetic surface modification • The modified surface showed high hydrophilicity and anti-platelet adhesion.

  12. Ionic polarization

    International Nuclear Information System (INIS)

    Mahan, G.D.

    1992-01-01

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

  13. Cardiac systolic function in cirrhotic patients’ candidate of liver trans-plantation compared with control group

    Directory of Open Access Journals (Sweden)

    Roya Sattarzadeh-Badkoubeh

    2017-02-01

    Full Text Available Background: We assessed different systolic cardiac indices to describe left and right ventricular dysfunction in cirrhotic patients before liver transplantation. Methods: In this case-control study, eighty-one consecutive individuals with the confirmed hepatic cirrhosis and candidate for liver transplantation in the Imam Khomeini Hospital between March 2008 and March 2010 were selected. Thirty-two age and gender cross-matched healthy volunteers were also selected as the control group. A detailed two-dimensional and Doppler echocardiography was obtained in all patients and controls performed by the same operator on the day of admission. Results: Dimensions of both left and right atriums as well as left ventricular end-diastolic volume and basal right ventricular dimension in the cirrhotic group were significantly higher than control group. Left ventricular end-systolic dimensions as well as aortic annulus diameter were not different between the two study groups. Left ventricular outflow tract velocity time integral, isovolumic pre-ejection time, isovolumic relaxation time, stroke volume, left ventricular ejection fraction, IVCT+IVRT+ET, systolic velocity of tricuspid annulus, systolic velocity of basal segment of RV free wall, systolic velocity of basal segment of septal wall, peak strain of septal margin (base, peak strain of septal margin (midpoint, peak strain of lateral margin (midpoint, strain rate of septal margin (base, strain rate of septal margin (midpoint, strain rate of lateral margin (base, strain rate of lateral margin (midpoint, Tei index (left and right ventricles, systolic time interval and tricuspid annular plane systolic excursion were higher in cirrhotic group, significantly, (P< 0.05. Left ventricular ejection time and systolic velocity of mid segment of lateral wall were lower in cirrhotic group, significantly, (P< 0.05. Conclusion: In this study, the effects of liver on heart were volume overload, hyperdynamic state and

  14. Polarization experiments

    International Nuclear Information System (INIS)

    Halzen, F.

    1977-02-01

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

  15. Gene transcription in polar bears (Ursus maritimus) from disparate populations

    Science.gov (United States)

    Bowen, Lizabeth; Miles, A. Keith; Waters, Shannon C.; Meyerson, Randi; Rode, Karyn D.; Atwood, Todd C.

    2015-01-01

    Polar bears in the Beaufort (SB) and Chukchi (CS) Seas experience different environments due primarily to a longer history of sea ice loss in the Beaufort Sea. Ecological differences have been identified as a possible reason for the generally poorer body condition and reproduction of Beaufort polar bears compared to those from the Chukchi, but the influence of exposure to other stressors remains unknown. We use molecular technology, quantitative PCR, to identify gene transcription differences among polar bears from the Beaufort and Chukchi Seas as well as captive healthy polar bears. We identified significant transcriptional differences among a priori groups (i.e., captive bears, SB 2012, SB 2013, CS 2013) for ten of the 14 genes of interest (i.e., CaM, HSP70, CCR3, TGFβ, COX2, THRα, T-bet, Gata3, CD69, and IL17); transcription levels of DRβ, IL1β, AHR, and Mx1 did not differ among groups. Multivariate analysis also demonstrated separation among the groups of polar bears. Specifically, we detected transcript profiles consistent with immune function impairment in polar bears from the Beaufort Sea, when compared with Chukchi and captive polar bears. Although there is no strong indication of differential exposure to contaminants or pathogens between CS and SB bears, there are clearly differences in important transcriptional responses between populations. Further investigation is warranted to refine interpretation of potential effects of described stress-related conditions for the SB population.

  16. Comprehensive Binary Interaction Mapping of SH2 Domains via Fluorescence Polarization Reveals Novel Functional Diversification of ErbB Receptors

    Science.gov (United States)

    Ciaccio, Mark F.; Chuu, Chih-pin; Jones, Richard B.

    2012-01-01

    First-generation interaction maps of Src homology 2 (SH2) domains with receptor tyrosine kinase (RTK) phosphosites have previously been generated using protein microarray (PM) technologies. Here, we developed a large-scale fluorescence polarization (FP) methodology that was able to characterize interactions between SH2 domains and ErbB receptor phosphosites with higher fidelity and sensitivity than was previously achieved with PMs. We used the FP assay to query the interaction of synthetic phosphopeptides corresponding to 89 ErbB receptor intracellular tyrosine sites against 93 human SH2 domains and 2 phosphotyrosine binding (PTB) domains. From 358,944 polarization measurements, the affinities for 1,405 unique biological interactions were determined, 83% of which are novel. In contrast to data from previous reports, our analyses suggested that ErbB2 was not more promiscuous than the other ErbB receptors. Our results showed that each receptor displays unique preferences in the affinity and location of recruited SH2 domains that may contribute to differences in downstream signaling potential. ErbB1 was enriched versus the other receptors for recruitment of domains from RAS GEFs whereas ErbB2 was enriched for recruitment of domains from tyrosine and phosphatidyl inositol phosphatases. ErbB3, the kinase inactive ErbB receptor family member, was predictably enriched for recruitment of domains from phosphatidyl inositol kinases and surprisingly, was enriched for recruitment of domains from tyrosine kinases, cytoskeletal regulatory proteins, and RHO GEFs but depleted for recruitment of domains from phosphatidyl inositol phosphatases. Many novel interactions were also observed with phosphopeptides corresponding to ErbB receptor tyrosines not previously reported to be phosphorylated by mass spectrometry, suggesting the existence of many biologically relevant RTK sites that may be phosphorylated but below the detection threshold of standard mass spectrometry procedures. This

  17. Comprehensive binary interaction mapping of SH2 domains via fluorescence polarization reveals novel functional diversification of ErbB receptors.

    Directory of Open Access Journals (Sweden)

    Ronald J Hause

    Full Text Available First-generation interaction maps of Src homology 2 (SH2 domains with receptor tyrosine kinase (RTK phosphosites have previously been generated using protein microarray (PM technologies. Here, we developed a large-scale fluorescence polarization (FP methodology that was able to characterize interactions between SH2 domains and ErbB receptor phosphosites with higher fidelity and sensitivity than was previously achieved with PMs. We used the FP assay to query the interaction of synthetic phosphopeptides corresponding to 89 ErbB receptor intracellular tyrosine sites against 93 human SH2 domains and 2 phosphotyrosine binding (PTB domains. From 358,944 polarization measurements, the affinities for 1,405 unique biological interactions were determined, 83% of which are novel. In contrast to data from previous reports, our analyses suggested that ErbB2 was not more promiscuous than the other ErbB receptors. Our results showed that each receptor displays unique preferences in the affinity and location of recruited SH2 domains that may contribute to differences in downstream signaling potential. ErbB1 was enriched versus the other receptors for recruitment of domains from RAS GEFs whereas ErbB2 was enriched for recruitment of domains from tyrosine and phosphatidyl inositol phosphatases. ErbB3, the kinase inactive ErbB receptor family member, was predictably enriched for recruitment of domains from phosphatidyl inositol kinases and surprisingly, was enriched for recruitment of domains from tyrosine kinases, cytoskeletal regulatory proteins, and RHO GEFs but depleted for recruitment of domains from phosphatidyl inositol phosphatases. Many novel interactions were also observed with phosphopeptides corresponding to ErbB receptor tyrosines not previously reported to be phosphorylated by mass spectrometry, suggesting the existence of many biologically relevant RTK sites that may be phosphorylated but below the detection threshold of standard mass spectrometry

  18. Electric organ discharge diversity in the genus Gymnotus: anatomo-functional groups and electrogenic mechanisms.

    Science.gov (United States)

    Rodríguez-Cattáneo, A; Aguilera, P; Cilleruelo, E; Crampton, W G R; Caputi, A A

    2013-04-15

    Previous studies describe six factors accounting for interspecific diversity of electric organ discharge (EOD) waveforms in Gymnotus. At the cellular level, three factors determine the locally generated waveforms: (1) electrocyte geometry and channel repertoire; (2) the localization of synaptic contacts on electrocyte surfaces; and (3) electric activity of electromotor axons preceding the discharge of electrocytes. At the organismic level, three factors determine the integration of the EOD as a behavioral unit: (4) the distribution of different types of electrocytes and specialized passive tissue forming the electric organ (EO); (5) the neural mechanisms of electrocyte discharge coordination; and (6) post-effector mechanisms. Here, we reconfirm the importance of the first five of these factors based on comparative studies of a wider diversity of Gymnotus than previously investigated. Additionally, we report a hitherto unseen aspect of EOD diversity in Gymnotus. The central region of the EO (which has the largest weight on the conspecific-received field) usually exhibits a negative-positive-negative pattern where the delay between the early negative and positive peaks (determined by neural coordination mechanisms) matches the delay between the positive and late negative peaks (determined by electrocyte responsiveness). Because delays between peaks typically determine the peak power frequency, this matching implies a co-evolution of neural and myogenic coordination mechanisms in determining the spectral specificity of the intraspecific communication channel. Finally, we define four functional species groups based on EO/EOD structure. The first three exhibit a heterogeneous EO in which doubly innervated electrocytes are responsible for a main triphasic complex. Group I species exhibit a characteristic cephalic extension of the EO. Group II species exhibit an early positive component of putative neural origin, and strong EO auto-excitability. Group III species exhibit

  19. An experimental investigation of the consequences and social functions of fat talk in friendship groups.

    Science.gov (United States)

    Cruwys, Tegan; Leverington, Carly T; Sheldon, Anne M

    2016-01-01

    Fat talk is a form of self-degrading, thin-ideal endorsing communication that occurs within female friendship groups. Previous studies have suggested negative associations with wellbeing, but have been predominantly correlational and based on self-report. This study aimed to assess the causal relationship between fat talk and the correlates of disordered eating (thin-ideal internalization, body dissatisfaction, negative affect, and dieting intentions) by experimentally manipulating fat talk in existing friendship groups and measuring naturalistic expression of fat talk and its effects. Participants were 85 women aged 17-25 who completed the experiment in friendship pairs. They were randomly assigned to a condition in which their friend expressed fat talk, positive body talk, or neutral talk. This study found evidence of a causal link between listening to friends fat talk and increased correlates of disordered eating. The negative effects of listening to fat talk were fully mediated by fat talk expression. This study also revealed a social function of fat talk, whereby participants rated their friends more positively when they were perceived to behave consistently with group norms, either pro- or anti-fat talk. Positive body talk showed none of the negative effects of fat talk, and was considered socially acceptable regardless of existing friendship group norms. These findings indicate that fat talk is a mechanism through which the thin ideal is transmitted between individuals. Interventions at the level of the friendship group to challenge norms and communication styles may break the link between societal risk factors and individual risk of eating disorders. © 2015 Wiley Periodicals, Inc.

  20. Control of Surface Functional Groups on Pertechnetate Sorption on Activated Carbon

    International Nuclear Information System (INIS)

    Y. Wang; H. Gao; R. Yeredla; H. Xu; M. Abrecht; G.D. Stasio

    2006-01-01

    99 Tc is highly soluble and poorly adsorbed by natural materials under oxidizing conditions, thus being of particular concern for radioactive waste disposal. Activated carbon can potentially be used as an adsorbent for removing Tc from aqueous solutions. We have tested six commercial activated carbon materials for their capabilities for sorption of pertechnetate (TcO 4 - ). The tested materials can be grouped into two distinct types: Type I materials have high sorption capabilities with the distribution coefficients (K d ) varying from 9.5 x 10 5 to 3.2 x 10 3 mL/g as the pH changes from 4.5 to 9.5, whereas type II materials have relatively low sorption capabilities with K d remaining more or less constant (1.1 x 10 3 - 1.8 x 10 3 mL/g) over a similar pH range. The difference in sorption behavior between the two types of materials is attributed to the distribution of surface functional groups. The predominant surface groups are identified to be carboxylic and phenolic groups. The carboxylic group can be further divided into three subgroups A, B, and C in the order of increasing acidity. The high sorption capabilities of type I materials are found to be caused by the presence of a large fraction of carboxylic subgroups A and B, while the low sorption capabilities of type II materials are due to the exclusive presence of phenolic and carboxylic subgroup C. Therefore, the performance of activated carbon for removing TcO 4 - can be improved by enhancing the formation of carboxylic subgroups A and B during material processing

  1. [Correlation Between Functional Groups and Radical Scavenging Activities of Acidic Polysaccharides from Dendrobium].

    Science.gov (United States)

    Liao, Ying; Yuan, Wen-yu; Zheng, Wen-ke; Luo, Ao-xue; Fan, Yi-jun

    2015-11-01

    To compare the radical scavenging activity of five different acidic polysaccharides, and to find the correlation with the functional groups. Alkali extraction method and Stepwise ethanol precipitation method were used to extract and concentrate the five Dendrobium polysaccharides, and to determine the contents of sulfuric acid and uronic acid of each kind of acidic polysaccharides, and the scavenging activity to ABTS+ radical and hydroxyl radical. Functional group structures were examined by FTIR Spectrometer. Five kinds of Dendrobium polysaccharides had different ability of scavenging ABTS+ free radical and hydroxyl free radical. Moreover, the study had shown that five kinds of antioxidant activity of acidic polysaccharides had obvious correlation withuronic acid and sulfuric acid. The antioxidant activity of each sample was positively correlated with the content of uronic acid, and negatively correlated with the content of sulfuric acid. Sulfuric acid can inhibit the antioxidant activity of acidic polysaccharide but uronic acid can enhance the free radical scavenging activity. By analyzing the structure characteristics of five acidic polysaccharides, all samples have similar structures, however, Dendrobium denneanum, Dendrobium devonianum and Dendrobium officinale which had β configuration have higher antioxidant activity than Dendrobium nobile and Dendrobium fimbriatum which had a configuration.

  2. Abstract structure of partial function $*$-algebras over semi-direct product of locally compact groups

    Directory of Open Access Journals (Sweden)

    Arash Ghaani Farashahi

    2015-12-01

    Full Text Available This article presents a unified approach to the abstract notions of partial convolution and involution in $L^p$-function spaces over semi-direct product of locally compact groups. Let $H$ and $K$ be locally compact groups and $tau:Hto Aut(K$ be a continuous homomorphism.  Let $G_tau=Hltimes_tau K$ be the semi-direct product of $H$ and $K$ with respect to $tau$. We define left and right $tau$-convolution on $L^1(G_tau$ and we show that, with respect to each of them, the function space $L^1(G_tau$ is a Banach algebra. We define $tau$-convolution as a linear combination of the left and right $tau$-convolution and we show that the $tau$-convolution is commutative if and only if $K$ is abelian. We prove that there is a $tau$-involution on $L^1(G_tau$ such that with respect to the $tau$-involution and $tau$-convolution, $L^1(G_tau$ is a non-associative Banach $*$-algebra. It is also shown that when $K$ is abelian, the $tau$-involution and $tau$-convolution make $L^1(G_tau$ into a Jordan Banach $*$-algebra. Finally, we also present the generalized notation of $tau$-convolution for other $L^p$-spaces with $p>1$.

  3. Polarization measurement for internal polarized gaseous targets

    International Nuclear Information System (INIS)

    Ye Zhenyu; Ye Yunxiu; Lv Haijiang; Mao Yajun

    2004-01-01

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

  4. Magnetic polyethyleneimine functionalized reduced graphene oxide as a novel magnetic solid-phase extraction adsorbent for the determination of polar acidic herbicides in rice

    Energy Technology Data Exchange (ETDEWEB)

    Li, Na [Key Laboratory of Chemistry of Northwestern Plant Resources of the CAS and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, 730000 (China); University of Chinese Academy of Sciences, Beijing, 100039 (China); Chen, Juan, E-mail: chenjuan@licp.cas.cn [Key Laboratory of Chemistry of Northwestern Plant Resources of the CAS and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, 730000 (China); Shi, Yan-Ping, E-mail: shiyp@licp.cas.cn [Key Laboratory of Chemistry of Northwestern Plant Resources of the CAS and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou, 730000 (China)

    2017-01-01

    A novel magnetic polyethyleneimine modified reduced graphene oxide (Fe{sub 3}O{sub 4}@PEI-RGO) had been fabricated based on a self-assemble approach between positive charged magnetic polyethyleneimine (Fe{sub 3}O{sub 4}@PEI) and negative charged GO sheets via electrostatic interaction followed by chemical reduction of GO to RGO. The as-prepared Fe{sub 3}O{sub 4}@PEI-RGO was characterized by transmission electron microscopy (TEM), Fourier transform infrared spectrometry (FT-IR), X-ray diffraction (XRD), thermal gravimetric analyzer (TGA), vibrating sample magnetometer (VSM) and zeta potential analysis, and then was successfully applied to determine four phenoxy acid herbicides and dicamba in rice coupled with high performance liquid chromatography (HPLC). As a surface modifier of RGO, PEI not only effectually affected the surface property of RGO (e.g. zeta potential), but also changed the polarity of RGO and offered anion exchange groups to polar acidic herbicides, which would directly influence the type of adsorbed analytes. Compared with Fe{sub 3}O{sub 4}@PEI, Fe{sub 3}O{sub 4}/RGO and Fe{sub 3}O{sub 4}@PEI-GO, the as-prepared Fe{sub 3}O{sub 4}@PEI-RGO, integrating the superiority of PEI and RGO, showed higher extraction efficiency for polar acidic herbicides. Besides, the adsorption mechanism was investigated as well. It turned out that electrostatic interaction and π-π interaction were considered to be two major driving force for the adsorption process. Response surface methodology (RSM), a multivariate experimental design technique, was used to optimize experimental parameters affecting the extraction efficiency in detail. Under the optimal conditions, a satisfactory performance was obtained. The calibration curves were linear over the concentration ranging from 2 to 300 ng g{sup −1} with correlation coefficients (r) between 0.9985 and 0.9994. The limits of detection (LODs) were in the range of 0.67–2 ng g{sup −1}. The recoveries ranged from 87

  5. Polar bears at risk

    Energy Technology Data Exchange (ETDEWEB)

    Norris, S.; Rosentrater, L.; Eid, P.M. [WWF International Arctic Programme, Oslo (Norway)

    2002-05-01

    Polar bears, the world's largest terrestrial carnivore, spend much of their lives on the arctic sea ice. This is where they hunt and move between feeding, denning, and resting areas. The world population, estimated at 22,000 bears, is made up of 20 relatively distinct populations varying in size from a few hundred to a few thousand animals. About 60 per cent of all polar bears are found in Canada. In general, the status of this species is stable, although there are pronounced differences between populations. Reductions in the extent and thickness of sea ice has lead the IUCN Polar Bear Specialist Group to describe climate change as one of the major threats facing polar bears today. Though the long-term effects of climate change will vary in different areas of the Arctic, impacts on the condition and reproductive success of polar bears and their prey are likely to be negative. Longer ice-free periods resulting from earlier break-up of sea ice in the spring and later formation in the fall is already impacting polar bears in the southern portions of their range. In Canada's Hudson Bay, for example, bears hunt on the ice through the winter and into early summer, after which the ice melts completely, forcing bears ashore to fast on stored fat until freeze-up in the fall. The time bears have on the ice to hunt and build up their body condition is cut short when the ice melts early. Studies from Hudson Bay show that for every week earlier that ice break-up occurs, bears will come ashore 10 kg lighter and in poorer condition. It is likely that populations of polar bears dividing their time between land and sea will be severely reduced and local extinctions may occur as greenhouse gas emissions continue to rise and sea ice melts. Expected changes in regional weather patterns will also impact polar bears. Rain in the late winter can cause maternity dens to collapse before females and cubs have departed, thus exposing occupants to the elements and to predators. Such

  6. Elucidating and Regulating the Acetoin Production Role of Microbial Functional Groups in Multispecies Acetic Acid Fermentation.

    Science.gov (United States)

    Lu, Zhen-Ming; Liu, Na; Wang, Li-Juan; Wu, Lin-Huan; Gong, Jin-Song; Yu, Yong-Jian; Li, Guo-Quan; Shi, Jin-Song; Xu, Zheng-Hong

    2016-10-01

    Acetoin (3-hydroxy-2-butanone) formation in vinegar microbiota is crucial for the flavor quality of Zhenjiang aromatic vinegar, a traditional vinegar produced from cereals. However, the specific microorganisms responsible for acetoin formation in this centuries-long repeated batch fermentation have not yet been clearly identified. Here, the microbial distribution discrepancy in the diacetyl/acetoin metabolic pathway of vinegar microbiota was revealed at the species level by a combination of metagenomic sequencing and clone library analysis. The results showed that Acetobacter pasteurianus and 4 Lactobacillus species (Lactobacillus buchneri, Lactobacillus reuteri, Lactobacillus fermentum, and Lactobacillus brevis) might be functional producers of acetoin from 2-acetolactate in vinegar microbiota. Furthermore, A. pasteurianus G3-2, L. brevis 4-22, L. fermentum M10-3, and L. buchneri F2-5 were isolated from vinegar microbiota by a culture-dependent method. The acetoin concentrations in two cocultures (L. brevis 4-22 plus A. pasteurianus G3-2 and L. fermentum M10-3 plus A. pasteurianus G3-2) were obviously higher than those in monocultures of lactic acid bacteria (LAB), while L. buchneri F2-5 did not produce more acetoin when coinoculated with A. pasteurianus G3-2. Last, the acetoin-producing function of vinegar microbiota was regulated in situ via augmentation with functional species in vinegar Pei After 72 h of fermentation, augmentation with A. pasteurianus G3-2 plus L. brevis 4-22, L. fermentum M10-3, or L. buchneri F2-5 significantly increased the acetoin content in vinegar Pei compared with the control group. This study provides a perspective on elucidating and manipulating different metabolic roles of microbes during flavor formation in vinegar microbiota. Acetoin (3-hydroxy-2-butanone) formation in vinegar microbiota is crucial for the flavor quality of Zhenjiang aromatic vinegar, a traditional vinegar produced from cereals. Thus, it is of interest to

  7. Tunable Electronic and Topological Properties of Germanene by Functional Group Modification

    Directory of Open Access Journals (Sweden)

    Ceng-Ceng Ren

    2018-03-01

    Full Text Available Electronic and topological properties of two-dimensional germanene modified by functional group X (X = H, F, OH, CH3 at full coverage are studied with first-principles calculation. Without considering the effect of spin-orbit coupling (SOC, all functionalized configurations become semiconductors, removing the Dirac cone at K point in pristine germanene. We also find that their band gaps can be especially well tuned by an external strain. When the SOC is switched on, GeX (X = H, CH3 is a normal insulator and strain leads to a phase transition to a topological insulator (TI phase. However, GeX (X = F, OH becomes a TI with a large gap of 0.19 eV for X = F and 0.24 eV for X = OH, even without external strains. More interestingly, when all these functionalized monolayers form a bilayer structure, semiconductor-metal states are observed. All these results suggest a possible route of modulating the electronic properties of germanene and promote applications in nanoelectronics.

  8. Group social skills interventions for adults with high-functioning autism spectrum disorders: A systematic review.

    Science.gov (United States)

    Spain, Debbie; Blainey, Sarah H

    2015-10-01

    Autism spectrum disorders are characterised by impairments in communication and social interaction. Social skills interventions have been found to ameliorate socio-communication deficits in children and adolescents with autism spectrum disorders. Little is known about the effectiveness of social skills interventions for adults with high-functioning autism spectrum disorders (hf-ASD) - a clinical population who can present with more subtle core deficits, but comparable levels of impairment and secondary difficulties. A systematic review was undertaken to investigate the effectiveness of social skills interventions for adults with high-functioning autism spectrum disorders. Five studies met the pre-specified review inclusion criteria: two quasi-experimental comparative trials and three single-arm interventions. There was a degree of variation in the structure, duration and content of the social skills interventions delivered, as well as several methodological limitations associated with included studies. Nevertheless, narrative analysis tentatively indicates that group social skills interventions may be effective for enhancing social knowledge and understanding, improving social functioning, reducing loneliness and potentially alleviating co-morbid psychiatric symptoms. © The Author(s) 2015.

  9. Effect of functionalization of boron nitride flakes by main group metal clusters on their optoelectronic properties

    Science.gov (United States)

    Chakraborty, Debdutta; Chattaraj, Pratim Kumar

    2017-10-01

    The possibility of functionalizing boron nitride flakes (BNFs) with some selected main group metal clusters, viz. OLi4, NLi5, CLi6, BLI7 and Al12Be, has been analyzed with the aid of density functional theory (DFT) based computations. Thermochemical as well as energetic considerations suggest that all the metal clusters interact with the BNF moiety in a favorable fashion. As a result of functionalization, the static (first) hyperpolarizability (β ) values of the metal cluster supported BNF moieties increase quite significantly as compared to that in the case of pristine BNF. Time dependent DFT analysis reveals that the metal clusters can lower the transition energies associated with the dominant electronic transitions quite significantly thereby enabling the metal cluster supported BNF moieties to exhibit significant non-linear optical activity. Moreover, the studied systems demonstrate broad band absorption capability spanning the UV-visible as well as infra-red domains. Energy decomposition analysis reveals that the electrostatic interactions principally stabilize the metal cluster supported BNF moieties.

  10. [Tailored Care for Functional Vertigo/Dizziness - An Integrative Group Psychotherapy Approach].

    Science.gov (United States)

    Radziej, Katharina; Schmid-Mühlbauer, Gabriele; Limburg, Karina; Lahmann, Claas

    2017-06-01

    Functional vertigo and dizziness (VD) symptoms are highly prevalent and usually accompanied by a strong impairment of quality in everyday and working life. The complaints are often associated with various psychiatric disorders, particularly phobic and other anxiety disorders, depressive or somatoform disorders. Despite this clinical relevance of VD symptoms, studies towards psychotherapeutic treatment options for patients with functional VD are still rare. Thus, the present study outlines a manual for outpatient group therapy for patients with functional VD symptoms. Our approach aims to assist patients in developing an understanding of the interaction between bodily complaints and psychosocial factors while detracting from a purely symptom based focus. The integrative-psychotherapeutic treatment program consists of 16 weekly sessions and includes a regular vestibular rehabilitation training as well as disorder-oriented modules towards anxiety and panic disorder, depression, and somatisation. We are currently conducting a randomised controlled trial in order to evaluate the short- and long-term effectiveness of the program in reducing VD and further bodily symptoms, vertigo-related social and physical handicap as well as anxiety and depressive complaints. A previously completed pilot trial has led to small to large pre-follow-up-effects on primary and secondary outcome measures. Conclusions regarding acceptance and feasibility of the therapy concept are discussed. © Georg Thieme Verlag KG Stuttgart · New York.

  11. Functional renormalization group approach to electronic structure calculations for systems without translational symmetry

    Science.gov (United States)

    Seiler, Christian; Evers, Ferdinand

    2016-10-01

    A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi surface, which can provide the organization principle for the renormalization group (RG) procedure. We here advance an alternative formulation, where the RG flow is organized in the energy-domain rather than in k space. This has the advantage that it can also be applied to inhomogeneous matter lacking a band structure, such as disordered metals or molecules. The energy-domain FRG (ɛ FRG) presented here accounts for Fermi-liquid corrections to quasiparticle energies and particle-hole excitations. It goes beyond the state of the art G W -BSE , because in ɛ FRG the Bethe-Salpeter equation (BSE) is solved in a self-consistent manner. An efficient implementation of the approach that has been tested against exact diagonalization calculations and calculations based on the density matrix renormalization group is presented. Similar to the conventional FRG, also the ɛ FRG is able to signalize the vicinity of an instability of the Fermi-liquid fixed point via runaway flow of the corresponding interaction vertex. Embarking upon this fact, in an application of ɛ FRG to the spinless disordered Hubbard model we calculate its phase boundary in the plane spanned by the interaction and disorder strength. Finally, an extension of the approach to finite temperatures and spin S =1 /2 is also given.

  12. Acid-base properties and the chemical imaging of surface-bound functional groups studied with scanning force microscopy

    NARCIS (Netherlands)

    van der Vegte, E.W.; Hadziioannou, G

    1997-01-01

    In this paper we present a scanning force microscopy (SFM) study on electrostatic and hydrogen-bonding interactions between chemically modified SFM probes and surface functional groups. pH-dependent adhesion force measurements in aqueous media between various ionizable functional groups showed a

  13. Factors influencing work functioning after cancer diagnosis : a focus group study with cancer survivors and occupational health professionals

    NARCIS (Netherlands)

    Dorland, H. F.; Abma, F. I.; Roelen, C. A. M.; Smink, J. G.; Ranchor, A. V.; Bultmann, U.

    Cancer survivors (CSs) frequently return to work, but little is known about work functioning after return to work (RTW). We aimed to identify barriers and facilitators of work functioning among CSs. Three focus groups were conducted with CSs (n = 6, n = 8 and n = 8) and one focus group with

  14. Mining approximate temporal functional dependencies with pure temporal grouping in clinical databases.

    Science.gov (United States)

    Combi, Carlo; Mantovani, Matteo; Sabaini, Alberto; Sala, Pietro; Amaddeo, Francesco; Moretti, Ugo; Pozzi, Giuseppe

    2015-07-01

    Functional dependencies (FDs) typically represent associations over facts stored by a database, such as "patients with the same symptom get the same therapy." In more recent years, some extensions have been introduced to represent both temporal constraints (temporal functional dependencies - TFDs), as "for any given month, patients with the same symptom must have the same therapy, but their therapy may change from one month to the next one," and approximate properties (approximate functional dependencies - AFDs), as "patients with the same symptomgenerallyhave the same therapy." An AFD holds most of the facts stored by the database, enabling some data to deviate from the defined property: the percentage of data which violate the given property is user-defined. According to this scenario, in this paper we introduce approximate temporal functional dependencies (ATFDs) and use them to mine clinical data. Specifically, we considered the need for deriving new knowledge from psychiatric and pharmacovigilance data. ATFDs may be defined and measured either on temporal granules (e.g.grouping data by day, week, month, year) or on sliding windows (e.g.a fixed-length time interval which moves over the time axis): in this regard, we propose and discuss some specific and efficient data mining techniques for ATFDs. We also developed two running prototypes and showed the feasibility of our proposal by mining two real-world clinical data sets. The clinical interest of the dependencies derived considering the psychiatry and pharmacovigilance domains confirms the soundness and the usefulness of the proposed techniques. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Cost-utility of a specific collaborative group intervention for patients with functional somatic syndromes.

    Science.gov (United States)

    Konnopka, Alexander; König, Hans-Helmut; Kaufmann, Claudia; Egger, Nina; Wild, Beate; Szecsenyi, Joachim; Herzog, Wolfgang; Schellberg, Dieter; Schaefert, Rainer

    2016-11-01

    Collaborative group intervention (CGI) in patients with functional somatic syndromes (FSS) has been shown to improve mental quality of life. To analyse incremental cost-utility of CGI compared to enhanced medical care in patients with FSS. An economic evaluation alongside a cluster-randomised controlled trial was performed. 35 general practitioners (GPs) recruited 300 FSS patients. Patients in the CGI arm were offered 10 group sessions within 3months and 2 booster sessions 6 and 12months after baseline. Costs were assessed via questionnaire. Quality adjusted life years (QALYs) were calculated using the SF-6D index, derived from the 36-item short-form health survey (SF-36). We calculated patients' net-monetary-benefit (NMB), estimated the treatment effect via regression, and generated cost-effectiveness acceptability curves. Using intention-to-treat analysis, total costs during the 12-month study period were 5777EUR in the intervention, and 6858EUR in the control group. Controlling for possible confounders, we found a small, but significant positive intervention effect on QALYs (+0.017; p=0.019) and an insignificant cost saving resulting from a cost-increase in the control group (-10.5%; p=0.278). NMB regression showed that the probability of CGI to be cost-effective was 69% for a willingness to pay (WTP) of 0EUR/QALY, increased to 92% for a WTP of 50,000EUR/QALY and reached the level of 95% at a WTP of 70,375EUR/QALY. Subgroup analyses yielded that CGI was only cost-effective in severe somatic symptom severity (PHQ-15≥15). CGI has a high probability to be a cost-effective treatment for FSS, in particular for patients with severe somatic symptom severity. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. 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...

  17. The sensitivity of income polarization

    DEFF Research Database (Denmark)

    Hussain, Azhar

    2009-01-01

    This study looks at polarization and its components' sensitivity to assumptions about equivalence scales, income definition, ethical income distribution parameters, and the income accounting period. A representative sample of Danish individual incomes from 1984 to 2002 is utilised. Results show....... Increasing the accounting period confirms the reduction in inequality found for shorter periods, but polarization is virtually unchanged, because income group identification increases. Applying different equivalence scales does not change polarization ranking for different years, but identification ranks...

  18. Polarization Stability of Amorphous Piezoelectric Polyimides

    Science.gov (United States)

    Park, C.; Ounaies, Z.; Su, J.; Smith, J. G., Jr.; Harrison, J. S.

    2000-01-01

    Amorphous polyimides containing polar functional groups have been synthesized and investigated for potential use as high temperature piezoelectric sensors. The thermal stability of the piezoelectric effect of one polyimide was evaluated as a function of various curing and poling conditions under dynamic and static thermal stimuli. First, the polymer samples were thermally cycled under strain by systematically increasing the maximum temperature from 50 C to 200 C while the piezoelectric strain coefficient was being measured. Second, the samples were isothermally aged at an elevated temperature in air, and the isothermal decay of the remanent polarization was measured at room temperature as a function of time. Both conventional and corona poling methods were evaluated. This material exhibited good thermal stability of the piezoelectric properties up to 100 C.

  19. Biological Studies with Laser-Polarized ^129Xe

    Science.gov (United States)

    Tseng, C. H.; Oteiza, E. R.; Wong, G. A.; Walsworth, R. L.; Albert, M. S.; Nascimben, L.; Peled, S.; Sakai, K.; Jolesz, F. A.

    1996-05-01

    We have studied several biological systems using laser-polarized ^129Xe. In certain tissues magnetic resonance imaging (MRI) using inhaled laser-polarized noble gases may provide images superior to those from conventional proton MRI. High resolution laser-polarized ^3He images of air spaces in the human lung were recently obtained by the Princeton/Duke group. However, ^3He is not very soluble in tissue. Therefore, we are using laser polarized ^129Xe (tissue-soluble), with the long term goal of biomedical functional imaging. We have investigated multi-echo and multi-excitation magnetic resonance detection schemes to exploit the highly non-thermal ^129Xe magnetization produced by the laser polarization technique. We have inhalated live rats with laser-polarized ^129Xe gas and measured three distinct ^129Xe tissue resonances that last 20 to 40 sec. As a demonstration, we obtained a laser polarized ^129Xe image of the human oral cavity. Currently we are measuring the polarization lifetime of ^129Xe dissolved in human blood, the biological transporting medium. These studies and other recent developments will be reported.

  20. Sources of polarized neutrons

    International Nuclear Information System (INIS)

    Walter, L.

    1983-01-01

    Various sources of polarized neutrons are reviewed. Monoenergetic source produced with unpolarized or polarized beams, white sources of polarized neutrons, production by transmissions through polarized hydrogen targets and polarized thermal neutronsare discussed, with appropriate applications included. (U.K.)

  1. Enhancing the intestinal absorption of molecules containing the polar guanidino functionality: a double-targeted prodrug approach.

    Science.gov (United States)

    Sun, Jing; Dahan, Arik; Amidon, Gordon L

    2010-01-28

    A prodrug strategy was applied to guanidino-containing analogues to increase oral absorption via hPEPT1 and hVACVase. l-Valine, l-isoleucine, and l-phenylalanine esters of [3-(hydroxymethyl)phenyl]guanidine (3-HPG) were synthesized and evaluated for transport and activation. In HeLa/hPEPT1 cells, Val-3-HPG and Ile-3-HPG exhibited high affinity to hPEPT1 (IC(50): 0.65 and 0.63 mM, respectively), and all three l-amino acid esters showed higher uptake (2.6- to 9-fold) than the parent compound 3-HPG. Val-3-HPG and Ile-3-HPG demonstrated remarkable Caco-2 permeability enhancement, and Val-3-HPG exhibited comparable permeability to valacyclovir. In rat perfusion studies, Val-3-HPG and Ile-3-HPG permeabilities were significantly higher than 3-HPG and exceeded/matched the high-permeability standard metoprolol, respectively. All the l-amino acid 3-HPG esters were effectively activated in HeLa and Caco-2 cell homogenates and were found to be good substrates of hVACVase (k(cat)/K(m) in mM(-1) x s(-1): Val-3-HPG, 3370; Ile-3-HPG, 1580; Phe-3-HPG, 1660). In conclusion, a prodrug strategy is effective at increasing the intestinal permeability of polar guanidino analogues via targeting hPEPT1 for transport and hVACVase for activation.

  2. Modes of interaction between nanostructured metal and a conducting mirror as a function of separation and incident polarization

    Science.gov (United States)

    Bonnie, F.; Arnold, M. D.; Smith, G. B.; Gentle, A. R.

    2013-09-01

    The optical resonances that occur in nanostructured metal layers are modulated in thin film stacks if the nanostructured layer is separated from a reflecting conducting layer by various thicknesses of thin dielectric. We have measured and modeled the optical response of interacting silver layers, with alumina spacer thickness ranging from a few nm to 50 nm, for s- and p-polarized incident light, and a range of incident angles. Standard thin film models, including standard effective medium models for the nanostructured layer, will break down for spacer thickness below a critical threshold. For example, with polarisation in the film plane and some nano-islands, it may occur at around 10 nm depending on spacer refractive index. Of particular interest here are novel effects observed with the onset of percolation in the nanolayer. Hot spot effects can be modified by nearby mirrors. Other modes to consider include (a) a two-particle mode involving a particle and its mirror image (b) A Fano resonance from hybridisation of localized and de-localised plasmon modes (c) a Babinet's core-(partial) shell particle with metal core-dielectric shell in metal (d) spacing dependent phase modulation (e) the impact of field gradients induced by the mirror at the nano-layer.

  3. MR image enhancement as a function of tissue gadolinium concentration, measured with polarized X-ray fluorescence analysis

    International Nuclear Information System (INIS)

    Wang, S.C.; Morita, Y.; White, D.L.; Kaufman, L.; Brasch, R.C.

    1988-01-01

    MR imaging contrast agents alter intensities nonlinearly relative to their tissue concentrations. To extract Gd concentrations from image intensity data, a 13-tube phantom (Gd-DTPA dilutions, 0-10/sup -2/M) was imaged (2 T, 3 mm, spin echo, 300 = msec repetition time, 15 = msec echo time, 128 X 256, four excitations). Also, 18 rats were studied with Gd-DTPA or albumin-(Gd-DTPA)/sub 19/ (nine each, three doses). Liver and renal cortex were imaged before and 10 minutes after contrast material administration, with immediate killing and harvesting, and enhancement was calculated. These samples were assayed by x-ray fluorescent excitation analysis (150-kVp beam, B/sub 4/C ceramic polarizer, Mo-Cu-Ni filter, Si[Li] detector). Gd levels as low as 0.5 ppm (--3.18 x 10/sup -6/M) could be detected in liquid or solid samples. Enhancement increased with a nonlinear relationship to Gd in the range measured. This assay for Gd permits empiric assessment of the relationship between pulse variables, intensity, and paramagnet concentration, allowing Gd values to be estimated from image intensities

  4. Microtribological study of perfluoropolyether with different functional groups coated on hydrogen terminated Si

    Energy Technology Data Exchange (ETDEWEB)

    Minn, Myo; Satyanarayana, Nalam [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore); Sinha, Sujeet K., E-mail: mpesks@nus.edu.sg [Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore 117576 (Singapore); Kondo, Hirofumi [Sony Chemical and Information Device Corporation, R and D Division, 1078 Kamiishikawa, Kanuma 322-8503 (Japan)

    2012-01-15

    Friction and wear properties of different perfluoropolyether (PFPE) films with and without hydrogen termination on Si (Si-H) were studied using a ball-on-disk tribometer. The physical and chemical properties of the films were evaluated using contact angle measurement, atomic force microscopy and X-ray photoelectron spectroscopy. Coating of PFPEs onto bare Si has lowered the coefficient of friction (from 0.6 for Si to {approx}0.05 with PFPE) and enhanced the wear durability (20,000 times) in comparison with those for bare Si which failed immediately. The introduction of hydrogen termination onto Si prior to PFPE coating has further increased the wear durability of PFPE with different functional groups several times (>5 times) under a normal load of 30 mN and a sliding speed of 0.052 m/s.

  5. Magnetic and optical bistability in tetrairon(III) single molecule magnets functionalized with azobenzene groups.

    Science.gov (United States)

    Prasad, Thazhe Kootteri; Poneti, Giordano; Sorace, Lorenzo; Rodriguez-Douton, Maria Jesus; Barra, Anne-Laure; Neugebauer, Petr; Costantino, Luca; Sessoli, Roberta; Cornia, Andrea

    2012-07-21

    Tetrairon(III) complexes known as "ferric stars" have been functionalized with azobenzene groups to investigate the effect of light-induced trans-cis isomerization on single-molecule magnet (SMM) behaviour. According to DC magnetic data and EPR spectroscopy, clusters dispersed in polystyrene (4% w/w) exhibit the same spin (S = 5) and magnetic anisotropy as bulk samples. Ligand photoisomerization, achieved by irradiation at 365 nm, has no detectable influence on static magnetic properties. However, it induces a small but significant acceleration of magnetic relaxation as probed by AC susceptometry. The pristine behaviour can be almost quantitatively recovered by irradiation with white light. Our studies demonstrate that magnetic and optical bistability can be made to coexist in SMM materials, which are of current interest in molecular spintronics.

  6. Effects on functional groups and zeta potential of SAP1pulsed electric field technology.

    Science.gov (United States)

    Liang, Rong; Li, Xuenan; Lin, Songyi; Wang, Jia

    2017-01-01

    SAP 1 pulsed electric field (PEF) technology. The effects of electric field intensity and pulse frequency on SAP 1 electric field intensity 15 kV cm -1 , pulse frequency 1600 Hz and flow velocity 2.93 mL min -1 ). Furthermore, the PEF-treated SAP 1 < MW < 3kDa under optimal conditions lacked the characteristic absorbance of N-H, C = C and the amide band and the zeta potential was reduced to -18.0 mV. Overall, the results of the present study suggest that the improvement of antioxidant activity of SAP 1 < MW < 3kDa is a result of the contribution of the functional groups and the change in zeta potential when treated with PEF. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  7. Detailed grouping and functional composition of neutral substances in low-temperature tar

    Energy Technology Data Exchange (ETDEWEB)

    Kalechits, I V; Salimgareeva, F G; Popova, N I; Kurbangaleeva, D K; Klykova, G G

    1955-01-01

    The grouping and the functional composition of the neutral substances in coal tar were characterized by means of adsorption on silica gel with subsequent chemical analysis of each fraction. The neutral materials were obtained by consecutive treatment of a C/sub 6/H/sub 6/ solution of coal tar with 10 percent alkali and 5 percent H/sub 2/SO/sub 4/ to remove the phenols and the bases. The data show that of the neutral substances (only 75% were identified) 40.5% were aromatic hydrocarbons. Based on a study of all of the data, it was proposed that 90% of the composition of coal tars is aromatic. The physical constants of the separated fractions were determined and are presented in tabular form.

  8. The nuts and bolts of pills and portions: the functions of a drug safety working group.

    Science.gov (United States)

    Nath, Noleen S; Jones, Ellen H; Stride, Peter; Premaratne, Manuja; Thaker, Darshit; Lim, Ivan

    2011-11-01

    Hospitalised patients commonly experience adverse drug events (ADEs) and medication errors. Runciman reported that ADEs in hospitals account for 20% of reported adverse events and contribute to 27% of deaths where death followed an adverse event. Hughes recommends multidisciplinary hospital drug committees to assess performance and raise standards. The new Code of Conduct of the Medical Board of Australia recommends participation in systems for surveillance and monitoring of adverse events, and to improve patient safety. We describe the functions and role of a Drug Safety Working Group (DSWG) in a suburban hospital, which aims to audit and promote a culture of prescribing and medication administration that is prudent and cautious to minimise the risk of harm to patients. We believe that regular prescription monitoring and feedback to Resident Medical Officers (RMOs) improves medication management in our hospital.

  9. Expansion and Functional Divergence of AP2 Group Genes in Spermatophytes Determined by Molecular Evolution and Arabidopsis Mutant Analysis

    Directory of Open Access Journals (Sweden)

    Pengkai Wang

    2016-09-01

    Full Text Available The APETALA2 (AP2 genes represent the AP2 group within a large group of DNA-binding proteins called AP2/EREBP. The AP2 gene is functional and necessary for flower development, stem cell maintenance, and seed development, whereas the other members of AP2 group redundantly affect flowering time. Here we study the phylogeny of AP2 group genes in spermatophytes. Spermatophyte AP2 group genes can be classified into AP2 and TOE types, six clades, and we found that the AP2 group homologs in gymnosperms belong to the AP2 type, whereas TOE types are absent, which indicates the AP2 type gene are more ancient and TOE type was split out of AP2 type and losing the major function. In Brassicaceae, the expansion of AP2 and TOE type lead to the gene number of AP2 group were up to six. Purifying selection appears to have been the primary driving force of spermatophyte AP2 group evolution, although positive selection occurred in the AP2 clade. The transition from exon to intron of AtAP2 in Arabidopsis mutant leads to the loss of gene function and the same situation was found in AtTOE2. Combining this evolutionary analysis and published research, the results suggest that typical AP2 group genes may first appear in gymnosperms and diverged in angiosperms, following expansion of group members and functional differentiation. In angiosperms, AP2 genes (AP2 clade inherited key functions from ancestors and other genes of AP2 group lost most function but just remained flowering time controlling in gene formation. In this study, the phylogenies of AP2 group genes in spermatophytes was analyzed, which supported the evidence for the research of gene functional evolution of AP2 group.

  10. Soil surface protection by Biocrusts: effects of functional groups on textural properties

    Science.gov (United States)

    Concostrina-Zubiri, Laura; Huber-Sannwald, Elisabeth; Martínez, Isabel; Flores Flores, José Luis; Escudero, Adrián

    2015-04-01

    In drylands, where vegetation cover is commonly scarce, soil surface is prone to wind and water soil erosion, with the subsequent loss of topsoil structure and chemical properties. These processes are even more pronounced in ecosystems subjected to extra erosive forces, such as grasslands and rangelands that support livestock production. However, some of the physiological and functional traits of biocrusts (i.e., complex association of cyanobacteria, lichens, mosses, fungi and soil particles) make them ideal to resist in disturbed environments and at the same time to protect soil surface from mechanical perturbations. In particular, the filaments and exudates of soil cyanobacteria and the rhizines of lichen can bind together soil particles, forming soil aggregates at the soil surface and thus enhancing soil stability. Also, they act as "biological covers" that preserve the most vulnerable soil layer from wind and runoff erosion and raindrop impact, maintaining soil structure and composition. In this work, we evaluated soil textural properties and organic matter content under different functional groups of biocrusts (i.e., cyanobacteria crust, 3 lichen species, 1 moss species) and in bare soil. In order to assess the impact of livestock trampling on soil properties and on Biocrust function, we sampled three sites conforming a disturbance gradient (low, medium and high impact sites) and a long-term livestock exclusion as control site. We found that the presence of biocrusts had little effects on soil textural properties and organic matter content in the control site, while noticeable differences were found between bare soil and soil under biocrusts (e.g., up to 16-37% higher clay content, compared to bare soil and up to 10% higher organic matter content). In addition, we found that depending on morphological traits and grazing regime, the effects of biocrusts changed along the gradient. For example, soil under the lichen Diploschistes diacapsis, with thick thallus

  11. Tuning inner-layer oxygen functional groups of reduced graphene oxide by potentiostatic oxidation for high performance electrochemical energy storage devices

    International Nuclear Information System (INIS)

    Wang, Huixin; Feng, Bingmei; Ye, Yifan; Guo, Jinghua; Fang, Hai-Tao

    2017-01-01

    Graphical abstract: Tuning inner-layer oxygen functional groups of reduced graphene oxide by potentiostatic oxidation in carbonate-based electrolyte improves the electrochemical performance. - Abstract: The electrochemical lithiation/delithiation of oxygen-containing functional groups (OCFGs) of nanocarbon materials, particularly graphene, have attracted intensive interest in recent years. Here, we propose a controllable potentiostatic oxidation approach to tune the OCFGs of as-prepared reduced graphene oxide (rGO) in a carbonate-based electrolyte to improve the specific capacity and rate capability. By X-Ray absorption spectroscopy in total fluorescence yield mode and X-Ray diffraction, we confirm that potentiostatic oxidations generate new OCFGs in the inner-layer of rGO. The content of OCFGs increases as oxidation potential being elevated. Such increasing of OCFGs in quantity significantly enhances the capacity. For instance, the specific capacity of 170.4 mAh g −1 for pristine rGO electrode is increased to 290.5 mAh g −1 after the oxidation at 5.0 V. We demonstrate that oxidations at moderate potentials can reduce the electrochemical and ohmic polarizations of rGO electrodes without deteriorating diffusion dynamic, thereby improving rate capability. After the optimal oxidation at 4.7 V, rGO electrode exhibits an excellent rate capability, delivering 58.4 mAh g −1 at 20 A g −1 .

  12. Density functional study of the group II phosphide semiconductor compounds under hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Mokhtari, Ali [Simulation Laboratory, Department of Physics, Faculty of Science, Shahrekord University, PB 115, Shahrekord (Iran, Islamic Republic of)], E-mail: mokhtari@sci.sku.ac.ir

    2008-04-02

    The full-potential all-electron linearized augmented plane wave plus local orbital (FP-LAPW+lo) method, as implemented in the suite of software WIEN2k, has been used to systematically investigate the structural and electronic properties of the group II phosphide semiconductor compounds M{sub 3}P{sub 2} (M = Be, Mg and Ca). The exchange-correlation functional was approximated as a generalized gradient functional introduced by Perdew-Burke-Ernzerhof (GGA96) and Engel-Vosko (EV-GGA). Internal parameters were optimized by relaxing the atomic positions in the force directions using the Hellman-Feynman approach. The structural parameters, bulk modules, cohesive energy, band structures and density of states have been calculated and compared to the available experimental and theoretical results. These compounds are predicted to be semiconductors with the direct band gap of about 1.60, 2.55 and 2.62 eV for Be{sub 3}P{sub 2}, Mg{sub 3}P{sub 2} and Ca{sub 3}P{sub 2}, respectively. The effects of hydrostatic pressure on the behavior of band parameters such as band gap, valence bandwidths and anti-symmetric gap (the energy gap between two parts of the valence bands) are investigated using both GGA96 and EV-GGA. The contribution of s, p and d orbitals of different atoms to the density of states is discussed in detail.

  13. Density functional study of the group II phosphide semiconductor compounds under hydrostatic pressure

    International Nuclear Information System (INIS)

    Mokhtari, Ali

    2008-01-01

    The full-potential all-electron linearized augmented plane wave plus local orbital (FP-LAPW+lo) method, as implemented in the suite of software WIEN2k, has been used to systematically investigate the structural and electronic properties of the group II phosphide semiconductor compounds M 3 P 2 (M = Be, Mg and Ca). The exchange-correlation functional was approximated as a generalized gradient functional introduced by Perdew-Burke-Ernzerhof (GGA96) and Engel-Vosko (EV-GGA). Internal parameters were optimized by relaxing the atomic positions in the force directions using the Hellman-Feynman approach. The structural parameters, bulk modules, cohesive energy, band structures and density of states have been calculated and compared to the available experimental and theoretical results. These compounds are predicted to be semiconductors with the direct band gap of about 1.60, 2.55 and 2.62 eV for Be 3 P 2 , Mg 3 P 2 and Ca 3 P 2 , respectively. The effects of hydrostatic pressure on the behavior of band parameters such as band gap, valence bandwidths and anti-symmetric gap (the energy gap between two parts of the valence bands) are investigated using both GGA96 and EV-GGA. The contribution of s, p and d orbitals of different atoms to the density of states is discussed in detail

  14. Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound

    International Nuclear Information System (INIS)

    Freitas, Vera L.S.; Gomes, Jose R.B.; Ribeiro da Silva, Maria D.M.C.

    2010-01-01

    The energetic effects caused by replacing one of the methylene groups in the 9,10-dihydroanthracene by ether or ketone functional groups yielding xanthene and anthrone species, respectively, were determined from direct comparison of the standard (p o = 0.1 MPa) molar enthalpies of formation in the gaseous phase, at T = 298.15 K, of these compounds. The experimental static-bomb combustion calorimetry and Calvet microcalorimetry and the computational G3(MP2)//B3LYP method were used to get the standard molar gas-phase enthalpies of formation of xanthene, (41.8 ± 3.5) kJ . mol -1 , and anthrone, (31.4 ± 3.2) kJ . mol -1 . The enthalpic increments for the substitution of methylene by ether and ketone in the parent polycyclic compound (9,10-dihydroanthracene) are -(117.9 ± 5.5) kJ . mol -1 and -(128.3 ± 5.4) kJ . mol -1 , respectively.

  15. Regulation of metabolic health and adipose tissue function by group 2 innate lymphoid cells.

    Science.gov (United States)

    Cautivo, Kelly M; Molofsky, Ari B

    2016-06-01

    Adipose tissue (AT) is home to an abundance of immune cells. With chronic obesity, inflammatory immune cells accumulate and promote insulin resistance and the progression to type 2 diabetes mellitus. In contrast, recent studies have highlighted the regulation and function of immune cells in lean, healthy AT, including those associated with type 2 or "allergic" immunity. Although traditionally activated by infection with multicellular helminthes, AT type 2 immunity is active independently of infection, and promotes tissue homeostasis, AT "browning," and systemic insulin sensitivity, protecting against obesity-induced metabolic dysfunction and type 2 diabetes mellitus. In particular, group 2 innate lymphoid cells (ILC2s) are integral regulators of AT type 2 immunity, producing the cytokines interleukin-5 and IL-13, promoting eosinophils and alternatively activated macrophages, and cooperating with and promoting AT regulatory T (Treg) cells. In this review, we focus on the recent developments in our understanding of group 2 innate lymphoid cell cells and type 2 immunity in AT metabolism and homeostasis. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. AFM imaging and analysis of local mechanical properties for detection of surface pattern of functional groups

    Energy Technology Data Exchange (ETDEWEB)

    Knotek, Petr, E-mail: petr.knotek@upce.cz [University of Pardubice, Faculty of Chemical Technology, Joint Laboratory of Solid State Chemistry of IMC ASCR and University of Pardubice, Studentska 573, 532 10 Pardubice (Czech Republic); Chanova, Eliska; Rypacek, Frantisek [Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovskeho sq. 2, 162 06 Prague (Czech Republic)

    2013-05-01

    In this work we evaluate the applicability of different atomic force microscopy (AFM) modes, such as Phase Shift Imaging, Atomic Force Acoustic Microscopy (AFAM) and Force Spectroscopy, for mapping of the distribution pattern of low-molecular-weight biomimetic groups on polymer biomaterial surfaces. Patterns with either random or clustered spatial distribution of bioactive peptide group derived from fibronectin were prepared by surface deposition of functional block copolymer nano-colloids and grafted with RGDS peptide containing the sequence of amino acids arginine–glycine–aspartic acid–serine (conventionally labeled as RGDS) and carrying biotin as a tag. The biotin-tagged peptides were labeled with 40 nm streptavidin-modified Au nanospheres. The peptide molecules were localized through the detection of bound Au nanospheres by AFM, and thus, the surface distribution of peptides was revealed. AFM techniques capable of monitoring local mechanical properties of the surface were proved to be the most efficient for identification of Au nano-markers. The efficiency was successfully demonstrated on two different patterns, i.e. random and clustered distribution of RGDS peptides on structured surface of the polymer biomaterial. Highlights: ► Bioactive peptides for cell adhesion on PLA-b-PEO biomimetic surface were visualized. ► The biotin-tagged RGDS peptides were labeled with streptavidin-Au nanospheres. ► The RGDS pattern was detected using different atomic force microscopy (AFM) modes. ► Phase Shift Image was proved to be suitable method for studying peptide distribution.

  17. Separation of Trace Amount Zn (II Using Additional Carbonyl and Carboxyl Groups Functionalized-Nano Graphene

    Directory of Open Access Journals (Sweden)

    A. Moghimi

    2013-01-01

    Full Text Available A novel and selective method for the fast determination of trace amounts of Zn(IIions in water samples has been developed.  The first additional carbonyl and carboxyl functionalized-nano graphene (SPFNano graphene. The presence of additional carbonyl and carboxyl groups located at the edge of the sheets makes GO sheets strongly hydrophilic, allowing them to readily swell and disperse in water. Based on these oxygen functionalities, different model structures of GO were used as absorbent for extraction of Zn (II   ions by solid phase extraction method. The complexes were eluted with HNO3 (2M10% V.V-1 methanol in acetone and determined the analyte by flame atomic absorption spectrometry.  The procedure is based on the selective formation of Zn (II at optimum pH by elution with organic eluents and determination by flame atomic absorption spectrometry. The method is based on complex formation on the surface of the ENVI-18 DISKTM disks modified carbonyl and carboxyl functionalized-nano graphene oxide molecules covalently bonded together followed by stripping of the retained species by minimum amounts of appropriate organic solvents. The elution is efficient and quantitative. The effect of potential interfering ions, pH, SPFNano graphene, amount, stripping solvent, and sample flow rate were also investigated. Under the optimal experimental conditions, the break-through volume was found to about 1000mL providing a preconcentration factor of 500. The maximum capacity of the disks was found to be 456± 3 µg for Zn2+.The limit of detection of the proposed method is 5ng per 1000mL.The method was applied to the extraction and recovery of Zn in different water samples.

  18. The role of test-retest reliability in measuring individual and group differences in executive functioning.

    Science.gov (United States)

    Paap, Kenneth R; Sawi, Oliver

    2016-12-01

    Studies testing for individual or group differences in executive functioning can be compromised by unknown test-retest reliability. Test-retest reliabilities across an interval of about one week were obtained from performance in the antisaccade, flanker, Simon, and color-shape switching tasks. There is a general trade-off between the greater reliability of single mean RT measures, and the greater process purity of measures based on contrasts between mean RTs in two conditions. The individual differences in RT model recently developed by Miller and Ulrich was used to evaluate the trade-off. Test-retest reliability was statistically significant for 11 of the 12 measures, but was of moderate size, at best, for the difference scores. The test-retest reliabilities for the Simon and flanker interference scores were lower than those for switching costs. Standard practice evaluates the reliability of executive-functioning measures using split-half methods based on data obtained in a single day. Our test-retest measures of reliability are lower, especially for difference scores. These reliability measures must also take into account possible day effects that classical test theory assumes do not occur. Measures based on single mean RTs tend to have acceptable levels of reliability and convergent validity, but are "impure" measures of specific executive functions. The individual differences in RT model shows that the impurity problem is worse than typically assumed. However, the "purer" measures based on difference scores have low convergent validity that is partly caused by deficiencies in test-retest reliability. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Anderson-Type Polyoxometalates Functionalized by Tetrathiafulvalene Groups: Synthesis, Electrochemical Studies, and NLO Properties.

    Science.gov (United States)

    Boulmier, Amandine; Vacher, Antoine; Zang, Dejin; Yang, Shu; Saad, Ali; Marrot, Jérôme; Oms, Olivier; Mialane, Pierre; Ledoux, Isabelle; Ruhlmann, Laurent; Lorcy, Dominique; Dolbecq, Anne

    2018-04-02

    Three polyoxometalates (POMs) functionalized by tetrathiafulvalene (TTF) molecules have been synthesized by a coupling reaction between the Anderson-type POMs [MnMo 6 O 18 {(OCH 2 ) 3 CNH 2 } 2 ] 3- or [AlMo 6 O 18 (OH) 3 {(OCH 2 ) 3 CNH 2 }] 3- and the TTF carboxylic acid derivative (MeS) 3 TTF(S-CH 2 -CO 2 H). The monofunctionalized TTF-AlMo 6 POM contains one TTF group covalently grafted on an Al Anderson platform. The symmetrical TTF-MnMo 6 -TTF POM possesses two TTF groups grafted on each side of a Mn Anderson derivative while the asymmetrical TTF-MnMo 6 -SP POM contains a TTF and a spiropyran groups. These three trianionic species have been characterized by elemental analysis, 1 H and 13 C NMR, FT-IR spectroscopy, ESI-MS spectrometry, and single-crystal X-ray diffraction (for TTF-MnMo 6 -TTF). In the solid state, the grafted TTF molecules of TTF-MnMo 6 -TTF POMs interact via S···S and π···π interactions and form chains. The electrochemical properties of the complexes reflect the contributions of both the inorganic POM and the TTF moieties. Despite adsorption of the oxidized hybrid species on the Pt grid working electrode, UV-vis-NIR spectroelectrochemical investigations evidence peaks characteristic of the oxidation of the TTF units. Finally, hyper-Rayleigh scattering (HRS) measurements show that the three novel TTF derivatives exhibit β values between 20 and 37 × 10 -30 esu. Moreover it is observed that the oxidation of the TTF moieties by Fe 3+ ions increases the NLO response. These values are in the order of magnitude of that found for the well-known 4-dimethylamino- N-methyl-4-stilbazolium (DAS + ) cation (β = 60 × 10 -30 esu).

  20. Biosynthesis of gold and silver nanoparticles by natural precursor clove and their functionalization with amine group

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Ashwani Kumar; Talat, Mahe [Banaras Hindu University, Nanoscience and Nanotechnology Unit, Department of Physics (India); Singh, D. P. [Southern Illinois University Carbondale, Department of Physics (United States); Srivastava, O. N., E-mail: hepons@yahoo.co [Banaras Hindu University, Nanoscience and Nanotechnology Unit, Department of Physics (India)

    2010-06-15

    We report a simple and cost effective way for synthesis of metallic nanoparticles (Au and Ag) using natural precursor clove. Au and Ag nanoparticles have been synthesized by reducing the aqueous solution of AuCl{sub 4} and AgNO{sub 3} with clove extract. One interesting aspect here is that reduction time is quite small (few minutes instead of hours as compared to other natural precursors). We synthesized gold and silver nanoparticles of different shape and size by varying the ratio of AuCl{sub 4} and AgNO{sub 3} with respect to clove extract, where the dominant component is eugenol. The evolution of Au and Ag nanoparticles from the reduction of different ratios of AuCl{sub 4} and AgNO{sub 3} with optimised concentration of the clove extract has been evaluated through monitoring of surface plasmon behaviour as a function of time. The reduction of AuCl{sub 4} and AgNO{sub 3} by eugenol is because of the inductive effect of methoxy and allyl groups which are present at ortho and para positions of proton releasing -OH group as two electrons are released from one molecule of eugenol. This is followed by the formation of resonating structure of the anionic form of eugenol. The presence of methoxy and allyl groups has been confirmed by FTIR. To the best of our knowledge, use of clove as reducing agent, the consequent ve