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Sample records for chiral eft interactions

  1. Properties of 4He and 6Li with improved chiral EFT interactions

    NASA Astrophysics Data System (ADS)

    Maris, P.; Binder, S.; Calci, A.; Epelbaum, E.; Furnstahl, R. J.; Golak, J.; Hebeler, K.; Kamada, H.; Krebs, H.; Langhammer, J.; Liebig, S.; Meißner, U.-G.; Minossi, D.; Nogga, A.; Potter, H.; Roth, R.; Skibiński, R.; Topolnicki, K.; Vary, J. P.; Witala, H.

    2016-03-01

    We present recent results for 4He and 6Li obtained with improved NN interactions derived from chiral effective field theory up to N4LO. The many-body calculations are performed order-by-order in the chiral expansion. At N3LO and N4LO additional renormalization using the Similarity Renormalization Group is adopted to improve numerical convergence of the many-body calculations. We discuss results for the ground state energies, as well as the magnetic moment and the low-lying spectrum of 6Li.

  2. Chiral EFT based nuclear forces: achievements and challenges

    NASA Astrophysics Data System (ADS)

    Machleidt, R.; Sammarruca, F.

    2016-08-01

    During the past two decades, chiral effective field theory has become a popular tool to derive nuclear forces from first principles. Two-nucleon interactions have been worked out up to sixth order of chiral perturbation theory and three-nucleon forces up to fifth order. Applications of some of these forces have been conducted in nuclear few- and many-body systems—with a certain degree of success. But in spite of these achievements, we are still faced with great challenges. Among them is the issue of a proper uncertainty quantification of predictions obtained when applying these forces in ab initio calculations of nuclear structure and reactions. A related problem is the order by order convergence of the chiral expansion. We start this review with a pedagogical introduction and then present the current status of the field of chiral nuclear forces. This is followed by a discussion of representative examples for the application of chiral two- and three-body forces in the nuclear many-body system including convergence issues.

  3. Nuclear electromagnetic charge and current operators in Chiral EFT

    SciTech Connect

    Girlanda, Luca; Marcucci, Laura Elisa; Pastore, Saori; Piarulli, Maria; Schiavilla, Rocco; Viviani, Michele

    2013-08-01

    We describe our method for deriving the nuclear electromagnetic charge and current operators in chiral perturbation theory, based on time-ordered perturbation theory. We then discuss possible strategies for fixing the relevant low-energy constants, from the magnetic moments of the deuteron and of the trinucleons, and from the radiative np capture cross sections, and identify a scheme which, partly relying on {Delta} resonance saturation, leads to a reasonable pattern of convergence of the chiral expansion.

  4. Chiral symmetry and the nucleon-nucleon interaction

    DOE PAGESBeta

    Machleidt, Ruprecht

    2016-04-20

    We review how nuclear forces emerge from low-energy quantum chromodynamics (QCD) via chiral effective field theory (EFT). During the past two decades, this approach has evolved into a powerful tool to derive nuclear two- and many-body forces in a systematic and model-independent way. We then focus on the nucleon-nucleon (NN) interaction and show in detail how, governed by chiral symmetry, the long- and intermediate-range of the NN potential builds up order by order. We proceed up to sixth order in small momenta, where convergence is achieved. Lastly, the final result allows for a full assessment of the validity of themore » chiral EFT approach to the NN interaction.« less

  5. High-Accuracy Analysis of Compton Scattering in Chiral EFT: Proton and Neutron Polarisabilities

    NASA Astrophysics Data System (ADS)

    Griesshammer, Harald W.; Phillips, Daniel R.; McGovern, Judith A.

    2013-10-01

    Compton scattering from protons and neutrons provides important insight into the structure of the nucleon. A new extraction of the static electric and magnetic dipole polarisabilities αE 1 and βM 1 of the proton and neutron from all published elastic data below 300 MeV in Chiral Effective Field Theory shows that within the statistics-dominated errors, the proton and neutron polarisabilities are identical, i.e. no iso-spin breaking effects of the pion cloud are seen. Particular attention is paid to the precision and accuracy of each data set, and to an estimate of residual theoretical uncertainties. ChiEFT is ideal for that purpose since it provides a model-independent estimate of higher-order corrections and encodes the correct low-energy dynamics of QCD, including, for few-nucleon systems used to extract neutron polarisabilities, consistent nuclear currents, rescattering effects and wave functions. It therefore automatically respects the low-energy theorems for photon-nucleus scattering. The Δ (1232) as active degree of freedom is essential to realise the full power of the world's Compton data.Its parameters are constrained in the resonance region. A brief outlook is provided on what kind of future experiments can improve the database. Supported in part by UK STFC, DOE, NSF, and the Sino-German CRC 110.

  6. The two-nucleon electromagnetic charge operator in chiral effective field theory ($\\chi$EFT) up to one loop

    SciTech Connect

    S. Pastore,L. Girlanda,R. Schiavilla,M. Viviani,S. Pastore,L. Girlanda,R. Schiavilla,M. Viviani

    2011-08-01

    The electromagnetic charge operator in a two-nucleon system is derived in chiral effective field theory ($\\chi$EFT) up to order $e\\, Q$ (or N4LO), where $Q$ denotes the low-momentum scale and $e$ is the electric charge. The specific form of the N3LO and N4LO corrections from, respectively, one-pion-exchange and two-pion-exchange depends on the off-the-energy-shell prescriptions adopted for the non-static terms in the corresponding potentials. We show that different prescriptions lead to unitarily equivalent potentials and accompanying charge operators. Thus, provided a consistent set is adopted, predictions for physical observables will remain unaffected by the non-uniqueness associated with these off-the-energy-shell effects.

  7. A New High-Accuracy Analysis of Compton Scattering in Chiral EFT: Neutron Polarisabilities

    NASA Astrophysics Data System (ADS)

    Griesshammer, Harald W.; McGovern, Judith A.; Phillips, Daniel R.

    2015-04-01

    Low-energy Compton scattering tests the symmetries and interaction strengths of a target's internal degrees of freedom in the electric and magnetic fields of a real, external photon. In the single-nucleon sector, information is often compressed into the static scalar dipole polarisabilities which are experimentally not directly accessible but encode information on the pion cloud and the Δ(1232) excitation. The interaction of the photon with the charged pion-exchange also provides a conceptually clean probe of few-nucleon binding. After demonstrating the statistical consistency of the world's γd dataset including the new data from the MAX-IV collaboration described in the preceding talk, we present a new extraction of the neutron polarisabilities in Chiral Effective Field Theory: αn = [ 11 . 55 +/- 1 . 25(stat) +/- 0 . 2(BSR) +/- 0 . 8(th) ] and βn = [ 3 . 65 -/+ 1 . 25(stat) +/- 0 . 2(BSR) -/+ 0 . 8(th) ] , in 10-4 fm3, with χ2 = 45 . 2 for 44 degrees of freedom. The new data reduced the statistical uncertainties by 30%. We discuss data accuracy and consistency, the role of the Δ(1232) , and an estimate of residual theoretical uncertainties. Within statistical and systematic errors, proton and neutron polarisabilities remain identical. Supported in part by UK STFC and US DOE.

  8. Threshold pion production in proton-proton collisions at NNLO in chiral EFT

    NASA Astrophysics Data System (ADS)

    Baru, V.; Epelbaum, E.; Filin, A. A.; Hanhart, C.; Krebs, H.; Myhrer, F.

    2016-05-01

    The reaction NN → NN π offers a good testing ground for chiral effective field theory at intermediate energies. It challenges our understanding of the first inelastic channel in nucleon-nucleon scattering and of the charge symmetry breaking pattern in hadronic reactions. In our previous studies, we presented a complete calculation of the pion production operator for s -wave pions up-to-and-including next-to-next-to-leading order (NNLO) in the formulation of chiral effective field theory, which includes pions, nucleons and Δ(1232) degrees of freedom. In this paper we calculate the near-threshold cross section for the pp → d π+ reaction by performing the convolution of the obtained operators with nuclear wave functions based on modern phenomenological and chiral potentials. The available chiral NN wave functions are constructed with a cutoff comparable with the momentum transfer scale inherent in pion production reactions. Hence, a significant portion of the dynamical intermediate-range physics is thereby cut off by them. On the other hand, the NNLO amplitudes evaluated with phenomenological wave functions appear to be largely independent of the NN model used and give corrections to the dominant leading-order contributions as expected from dimensional analysis. The result gives support to the counting scheme used to classify the pion production operators, which is a precondition for a reliable investigation of the chirally suppressed neutral pion production. The explicit inclusion of the Δ(1232) is found to be important but smaller than expected due to cancellations.

  9. Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions

    NASA Astrophysics Data System (ADS)

    Carlsson, B. D.; Ekström, A.; Forssén, C.; Strömberg, D. Fahlin; Jansen, G. R.; Lilja, O.; Lindby, M.; Mattsson, B. A.; Wendt, K. A.

    2016-01-01

    Chiral effective field theory (χ EFT ) provides a systematic approach to describe low-energy nuclear forces. Moreover, χ EFT is able to provide well-founded estimates of statistical and systematic uncertainties—although this unique advantage has not yet been fully exploited. We fill this gap by performing an optimization and statistical analysis of all the low-energy constants (LECs) up to next-to-next-to-leading order. Our optimization protocol corresponds to a simultaneous fit to scattering and bound-state observables in the pion-nucleon, nucleon-nucleon, and few-nucleon sectors, thereby utilizing the full model capabilities of χ EFT . Finally, we study the effect on other observables by demonstrating forward-error-propagation methods that can easily be adopted by future works. We employ mathematical optimization and implement automatic differentiation to attain efficient and machine-precise first- and second-order derivatives of the objective function with respect to the LECs. This is also vital for the regression analysis. We use power-counting arguments to estimate the systematic uncertainty that is inherent to χ EFT , and we construct chiral interactions at different orders with quantified uncertainties. Statistical error propagation is compared with Monte Carlo sampling, showing that statistical errors are, in general, small compared to systematic ones. In conclusion, we find that a simultaneous fit to different sets of data is critical to (i) identify the optimal set of LECs, (ii) capture all relevant correlations, (iii) reduce the statistical uncertainty, and (iv) attain order-by-order convergence in χ EFT . Furthermore, certain systematic uncertainties in the few-nucleon sector are shown to get substantially magnified in the many-body sector, in particular when varying the cutoff in the chiral potentials. The methodology and results presented in this paper open a new frontier for uncertainty quantification in ab initio nuclear theory.

  10. Green's Function Monte Carlo Calculations with Two- and Three-Nucleon Interactions from Chiral Effective Field Theory

    NASA Astrophysics Data System (ADS)

    Lynn, J. E.

    2016-03-01

    I discuss our recent work on Green's function Monte Carlo (GFMC) calculations of light nuclei using local nucleon-nucleon interactions derived from chiral effective field theory (EFT) up to next-to-next-to-leading order (N2LO). I present the natural extension of this work to include the consistent three-nucleon (3N) forces at the same order in the chiral expansion. I discuss our choice of observables to fit the two low-energy constants which enter in the 3N sector at N2LO and present some results for light nuclei.

  11. Two- and Three-Nucleon Chiral Interactions in Quantum Monte Carlo Calculations for Nuclear Physics

    NASA Astrophysics Data System (ADS)

    Lynn, Joel; Carlson, Joseph; Gandolfi, Stefano; Gezerlis, Alexandros; Schmidt, Kevin; Schwenk, Achim; Tews, Ingo

    2015-10-01

    I present our recent work on Green's function Monte Carlo (GFMC) calculations of light nuclei using local two- and three-nucleon interactions derived from chiral effective field theory (EFT) up to next-to-next-to-leading order (N2LO). GFMC provides important benchmarking capabilities for other methods which rely on techniques to soften the nuclear interaction and also allows for nonperturbative studies of the convergence of the chiral EFT expansion. I discuss the choice of observables we make to fit the two low-energy constants which enter in the three-nucleon sector at N2LO: the 4He binding energy and n- α elastic scattering P-wave phase shifts. I then show some results for light nuclei. I also show our results for the energy per neutron in pure neutron matter using the auxiliary-field diffusion Monte Carlo method and discuss regulator choices. Finally I discuss some exciting future projects which are now possible. The NUCLEI SciDAC program and the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  12. Long-range interactions between chiral molecules

    SciTech Connect

    Salam, A.

    2015-01-22

    Results of molecular quantum electrodynamics calculations of discriminatory interactions between two chiral molecules undergoing resonance energy transfer, van der Waals dispersion, and optical binding are presented. A characteristic feature of the theory is that the radiation field is quantized with signals consequently propagating between centres at the speed of light. In order to correctly describe optically active chromophores, it is necessary to include magnetic as well as electric dipole coupling terms in the time-dependent perturbation theory computations. Recent work investigating the effect of an absorptive and dispersive chiral medium on the rate of migration of energy will also be discussed.

  13. Chiral Sensitivity in Electron-Molecule Interactions

    NASA Astrophysics Data System (ADS)

    Dreiling, Joan

    2015-09-01

    All molecular forms of life possess a chiral asymmetry, with amino acids and sugars found respectively in L- and D-enantiomers only. The primordial origin of this enantiomeric excess is unknown. One possible explanation is given by the Vester- Ulbricht hypothesis, which suggests that left-handed electrons present in beta-radiation, produced by parity-violating weak decays, interacted with biological precursors and preferentially destroyed one of the two enantiomers. Experimental tests of this idea have thus far yielded inconclusive results. We show direct evidence for chirally-dependent bond breaking through a dissociative electron attachment (DEA) reaction when spin-polarized electrons are incident on gas-phase chiral molecules. This provides unambiguous evidence for a well-defined, chirally-sensitive destructive molecular process and, as such, circumstantial evidence for the Vester-Ulbricht hypothesis. I will also present the results of our systematic study of the DEA asymmetry for different chiral halocamphor molecules. Three halocamphor molecules were investigated: 3-bromocamphor (C10H15BrO), 3-iodocamphor(C10H15IO), and 10-iodocamphor. The DEA asymmetries collected for bromocamphor and iodocamphor are qualitatively different, suggesting that the atomic number of the heaviest atom in the molecule plays a crucial role in the asymmetric interactions. The DEA asymmetry data for 3- and 10-iodocamphor have the same qualitative behavior, but the 10-iodocamphor asymmetry is about twice as large at the lowest energies investigated, so the location of the heavy atom in the camphor molecule also affects the asymmetries. This work was performed at the University of Nebraska-Lincoln. This project is funded by NSF Grant PHY-1206067.

  14. Chirally-modified metal surfaces: energetics of interaction with chiral molecules.

    PubMed

    Dementyev, Petr; Peter, Matthias; Adamovsky, Sergey; Schauermann, Swetlana

    2015-09-21

    Imparting chirality to non-chiral metal surfaces by adsorption of chiral modifiers is a highly promising route to create effective heterogeneously catalyzed processes for the production of enantiopure pharmaceuticals. One of the major current challenges in heterogeneous chiral catalysis is the fundamental-level understanding of how such chirally-modified surfaces interact with chiral and prochiral molecules to induce their enantioselective transformations. Herein we report the first direct calorimetric measurement of the adsorption energy of chiral molecules onto well-defined chirally-modified surfaces. Two model modifiers 1-(1-naphthyl)ethylamine and 2-methylbutanoic acid were used to impart chirality to Pt(111) and their interaction with propylene oxide was investigated by means of single-crystal adsorption calorimetry. Differential adsorption energies and absolute surface uptakes were obtained for the R- and S-enantiomers of propylene oxide under clean ultrahigh vacuum conditions. Two types of adsorption behavior were observed for different chiral modifiers, pointing to different mechanisms of imparting chirality to metal surfaces. The results are analyzed and discussed in view of previously reported stereoselectivity of adsorption processes. PMID:26256836

  15. Uncertainty Quantification for Nuclear Currents: A Bayesian χ-EFT view of the Triton and β- Decay

    NASA Astrophysics Data System (ADS)

    Wendt, Kyle

    2014-09-01

    Chiral Effective Field Theory (χ-EFT) provides a framework for the generation and systematic improvement of model independent inter-nucleon interaction Hamiltonians and nuclear current operators. Within χ-EFT, short and mid distance physics is encoded through a gradient expansion and multiple pion exchange parameterized by a set of low energy constants (LECs). The LECs are often constrained via non-linear least squares using nuclear bound state and scattering observables. This has produced reasonable low-energy descriptions in the past, but has been plagued by LECs that are unnaturally large. Additional issues manifest in medium mass nuclei where the χ-EFT Hamiltonians fail to adequately describe saturation properties. It has been suggested that Bayesian approaches may remedy the unnaturally large LECs using carefully selected priors. Other analyses have suggested that the inclusion and feedback of nuclear currents into the constraints of the LECs may improve saturation properties. We combine these approaches using Markov chain Monte Carlo (MCMC) to study and quantify uncertainties in the Triton and the χ-EFT axial-vector current, with the aim of providing a foundation for quantifying χ-EFT uncertainties for weak processes in nuclei. Chiral Effective Field Theory (χ-EFT) provides a framework for the generation and systematic improvement of model independent inter-nucleon interaction Hamiltonians and nuclear current operators. Within χ-EFT, short and mid distance physics is encoded through a gradient expansion and multiple pion exchange parameterized by a set of low energy constants (LECs). The LECs are often constrained via non-linear least squares using nuclear bound state and scattering observables. This has produced reasonable low-energy descriptions in the past, but has been plagued by LECs that are unnaturally large. Additional issues manifest in medium mass nuclei where the χ-EFT Hamiltonians fail to adequately describe saturation properties. It has

  16. Emergence of Chirality from Isotropic Interactions of Three Length Scales

    NASA Astrophysics Data System (ADS)

    Mkhonta, S. K.; Elder, K. R.; Huang, Zhi-Feng

    2016-05-01

    Chirality is known to play a pivotal role in determining material properties and functionalities. However, it remains a great challenge to understand and control the emergence of chirality and the related enantioselective process particularly when the building components of the system are achiral. Here we explore the generic mechanisms driving the formation of two-dimensional chiral structures in systems characterized by isotropic interactions and three competing length scales. We demonstrate that starting from isotropic and rotationally invariant interactions, a variety of chiral ordered patterns and superlattices with anisotropic but achiral units can self-assemble. The mechanisms for selecting specific states are related to the length-scale coupling and the selection of resonant density wave vectors. Sample phase diagrams and chiral elastic properties are identified. These findings provide a viable route for predicting chiral phases and selecting the desired handedness.

  17. Emergence of Chirality from Isotropic Interactions of Three Length Scales.

    PubMed

    Mkhonta, S K; Elder, K R; Huang, Zhi-Feng

    2016-05-20

    Chirality is known to play a pivotal role in determining material properties and functionalities. However, it remains a great challenge to understand and control the emergence of chirality and the related enantioselective process particularly when the building components of the system are achiral. Here we explore the generic mechanisms driving the formation of two-dimensional chiral structures in systems characterized by isotropic interactions and three competing length scales. We demonstrate that starting from isotropic and rotationally invariant interactions, a variety of chiral ordered patterns and superlattices with anisotropic but achiral units can self-assemble. The mechanisms for selecting specific states are related to the length-scale coupling and the selection of resonant density wave vectors. Sample phase diagrams and chiral elastic properties are identified. These findings provide a viable route for predicting chiral phases and selecting the desired handedness. PMID:27258877

  18. Renormalization of NN Interaction with Relativistic Chiral Two Pion Exchange

    SciTech Connect

    Higa, R; Valderrama, M Pavon; Arriola, E Ruiz

    2007-06-14

    The renormalization of the NN interaction with the Chiral Two Pion Exchange Potential computed using relativistic baryon chiral perturbation theory is considered. The short distance singularity reduces the number of counter-terms to about a half as those in the heavy-baryon expansion. Phase shifts and deuteron properties are evaluated and a general overall agreement is observed.

  19. Plasmonic enhancement of chiral light-matter interactions

    NASA Astrophysics Data System (ADS)

    Alizadeh, Mohammadhossein

    Plasmonic nanostructures provide unique opportunities to improve the detection limits of chiroptical spectroscopies by enhancing chiral light-matter interactions. The most significant of such interaction occur in ultraviolet (UV) range of the electromagnetic spectrum that remains challenging to access by conventional localized plasmon resonance based sensors. Although Surface Plasmon Polaritons (SPPs) on noble metal films can sustain resonances in the desired spectral range, their transverse magnetic nature has been an obstacle for enhancing chiroptical effects. We demonstrate, both analytically and numerically, that SPPs excited by near-field sources can exhibit rich and non-trivial chiral characteristics. In particular, we show that the excitation of SPPs by a chiral source not only results in a locally enhanced optical chirality but also achieves manifold enhancement of net optical chirality. Our finding that SPPs facilitate a plasmonic enhancement of optical chirality in the UV part of the spectrum is of great interest in chiral bio-sensing. Next we focus on the new concepts of transverse spin angular momentum and Belinfante spin momentum of evanescent waves, which have recently drawn considerable attention. We investigate these novel physical properties of electromagnetic fields in the context of chiral surface plasmon polaritons. We demonstrate, both analytically and numerically, that locally excited surface plasmon polaritons possess transverse Spin angular momentum and Belinfante momentum with rich and non-trivial characteristics. We also show that the transverse spin angular momentum of locally excited surface plasmon polaritons leads to the emergence of transverse chiral forces in opposite directions for chiral objects of different handedness. The magnitude of such a transverse force is comparable to the optical gradient force and scattering forces. This finding may pave the way for realization of optical separation of chiral biomolecules.

  20. Tailoring the chiral magnetic interaction between two individual atoms

    PubMed Central

    Khajetoorians, A. A.; Steinbrecher, M.; Ternes, M.; Bouhassoune, M.; dos Santos Dias, M.; Lounis, S.; Wiebe, J.; Wiesendanger, R.

    2016-01-01

    Chiral magnets are a promising route towards dense magnetic storage technology due to their inherent nano-scale dimensions and energy efficient properties. Engineering chiral magnets requires atomic-level control of the magnetic exchange interactions, including the Dzyaloshinskii–Moriya interaction, which defines a rotational sense for the magnetization of two coupled magnetic moments. Here we show that the indirect conduction electron-mediated Dzyaloshinskii–Moriya interaction between two individual magnetic atoms on a metallic surface can be manipulated by changing the interatomic distance with the tip of a scanning tunnelling microscope. We quantify this interaction by comparing our measurements to a quantum magnetic model and ab-initio calculations yielding a map of the chiral ground states of pairs of atoms depending on the interatomic separation. The map enables tailoring the chirality of the magnetization in dilute atomic-scale magnets. PMID:26902332

  1. Tailoring the chiral magnetic interaction between two individual atoms.

    PubMed

    Khajetoorians, A A; Steinbrecher, M; Ternes, M; Bouhassoune, M; dos Santos Dias, M; Lounis, S; Wiebe, J; Wiesendanger, R

    2016-01-01

    Chiral magnets are a promising route towards dense magnetic storage technology due to their inherent nano-scale dimensions and energy efficient properties. Engineering chiral magnets requires atomic-level control of the magnetic exchange interactions, including the Dzyaloshinskii-Moriya interaction, which defines a rotational sense for the magnetization of two coupled magnetic moments. Here we show that the indirect conduction electron-mediated Dzyaloshinskii-Moriya interaction between two individual magnetic atoms on a metallic surface can be manipulated by changing the interatomic distance with the tip of a scanning tunnelling microscope. We quantify this interaction by comparing our measurements to a quantum magnetic model and ab-initio calculations yielding a map of the chiral ground states of pairs of atoms depending on the interatomic separation. The map enables tailoring the chirality of the magnetization in dilute atomic-scale magnets. PMID:26902332

  2. Tailoring the chiral magnetic interaction between two individual atoms

    NASA Astrophysics Data System (ADS)

    Khajetoorians, A. A.; Steinbrecher, M.; Ternes, M.; Bouhassoune, M.; Dos Santos Dias, M.; Lounis, S.; Wiebe, J.; Wiesendanger, R.

    2016-02-01

    Chiral magnets are a promising route towards dense magnetic storage technology due to their inherent nano-scale dimensions and energy efficient properties. Engineering chiral magnets requires atomic-level control of the magnetic exchange interactions, including the Dzyaloshinskii-Moriya interaction, which defines a rotational sense for the magnetization of two coupled magnetic moments. Here we show that the indirect conduction electron-mediated Dzyaloshinskii-Moriya interaction between two individual magnetic atoms on a metallic surface can be manipulated by changing the interatomic distance with the tip of a scanning tunnelling microscope. We quantify this interaction by comparing our measurements to a quantum magnetic model and ab-initio calculations yielding a map of the chiral ground states of pairs of atoms depending on the interatomic separation. The map enables tailoring the chirality of the magnetization in dilute atomic-scale magnets.

  3. 48 CFR 32.1106 - EFT mechanisms.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... REQUIREMENTS CONTRACT FINANCING Electronic Funds Transfer 32.1106 EFT mechanisms. (a) Domestic EFT mechanisms... payments. (b) Nondomestic EFT mechanisms and other than United States currency. The Government...

  4. Quantum Monte Carlo calculations of neutron matter with chiral three-body forces

    NASA Astrophysics Data System (ADS)

    Tews, I.; Gandolfi, S.; Gezerlis, A.; Schwenk, A.

    2016-02-01

    Chiral effective field theory (EFT) enables a systematic description of low-energy hadronic interactions with controlled theoretical uncertainties. For strongly interacting systems, quantum Monte Carlo (QMC) methods provide some of the most accurate solutions, but they require as input local potentials. We have recently constructed local chiral nucleon-nucleon (NN) interactions up to next-to-next-to-leading order (N2LO ). Chiral EFT naturally predicts consistent many-body forces. In this paper, we consider the leading chiral three-nucleon (3N) interactions in local form. These are included in auxiliary field diffusion Monte Carlo (AFDMC) simulations. We present results for the equation of state of neutron matter and for the energies and radii of neutron drops. In particular, we study the regulator dependence at the Hartree-Fock level and in AFDMC and find that present local regulators lead to less repulsion from 3N forces compared to the usual nonlocal regulators.

  5. Light nuclei with improved order-by-order chiral interactions

    NASA Astrophysics Data System (ADS)

    Maris, Pieter; Vary, James

    2015-10-01

    We present recent results for light nuclei obtained with improved NN interactions derived from chiral effective field theory up to N4LO. The many-body calculations are performed order-by-order in the chiral expansion. We show results for the ground state energies and the low-lying spectrum; in addition we discuss other observables such as magnetic and quadrupole moments. We discuss both the theoretical uncertainties due to the truncation of the chiral expansion, as well as the numerical uncertainties associated with the many-body method. Depending on the value chiral order, additional renormalization using the Similarity Renormalization Group is needed in order to improve numerical convergence of the many-body calculations. Supported by the US DOE grants DESC0008485 (SciDAC/NUCLEI) and DE-FG02-87ER40371. Computational resources provided by NERSC (supported by US DOE contract DE-AC02-05CH11231).

  6. Self-consistent Models of Strong Interaction with Chiral Symmetry

    DOE R&D Accomplishments Database

    Nambu, Y.; Pascual, P.

    1963-04-01

    Some simple models of (renormalizable) meson-nucleon interaction are examined in which the nucleon mass is entirely due to interaction and the chiral ( gamma {sub 5}) symmetry is "broken'' to become a hidden symmetry. It is found that such a scheme is possible provided that a vector meson is introduced as an elementary field. (auth)

  7. Tailoring the chiral magnetic interaction between two individual atoms

    NASA Astrophysics Data System (ADS)

    Wiebe, J.; Khajetoorians, A. A.; Steinbrecher, M.; Ternes, M.; Bouhassoune, M.; Dos Santos Dias, M.; Lounis, S.; Wiesendanger, R.

    Chiral magnets are a promising route toward dense magnetic storage technology due to their inherent nano-scale dimensions and energy efficient properties. Engineering chiral magnets requires atomic-level control of the magnetic exchange interactions, including the Dzyaloshinskii-Moriya interaction, which defines a rotational sense for the magnetization of two coupled magnetic moments. Here we show that the indirect conduction electron mediated Dzyaloshinskii-Moriya interaction between two individual magnetic atoms on a metallic surface can be manipulated by changing the interatomic distance with the tip of a scanning tunneling microscope. We quantify this interaction by comparing our measurements to a quantum magnetic model and ab-initio calculations yielding a map of the chiral ground states of pairs of atoms depending on the interatomic separation. The map enables tailoring the chirality of the magnetization in dilute atomic-scale magnets. Acknowledgements: SFB668, GrK1286, SFB767, LO 1659 5-1, Emmy Noether Program of the DFG, FOM of NWO, VH-NG-717.

  8. Quantum theory of chiral interactions in cholesteric liquid crystals

    NASA Astrophysics Data System (ADS)

    Issaenko, S. A.; Harris, A. B.; Lubensky, T. C.

    1999-07-01

    The effective chiral interaction between molecules arising from long-range quantum interactions between fluctuating charge moments is analyzed in terms of a simple model of chiral molecules. This model is based on the approximations that (a) the dominant excited states of a molecule form a band whose width is small compared to the average energy of excitation above the ground state and (b) biaxial orientational correlation between adjacent molecules can be neglected. Previous treatments of quantum chiral interactions have been based on a multipole expansion of the effective interaction energy within second-order perturbation theory. We consider a system consisting of elongated molecules and, although we invoke the expansion in terms of coordinates transverse to the long axis of constituent molecules, we treat the longitudinal coordinate exactly. Such an approximation is plausible for molecules in real liquid crystals. The macroscopic cholesteric wave vector Q (Q=2π/P, where P is the pitch) is obtained via Q=h/K2, where K2 is the Frank elastic constant for twist and h is the torque field which we calculate from the effective chiral interaction κIJaI×aJ.RIJ, where the unit vector aI specifies the orientation of molecule I and RIJ is the displacement of molecule I relative to molecule J. We identify two distinct physical limits depending on whether one or both of the interacting molecules are excited in the virtual state. When both molecules are excited, we regain the R-8IJ dependence of κIJ on intermolecular separation found previously by Van der Meer et al. [J. Chem. Phys. 65, 3935 (1976)]. The two-molecule, unlike the one-molecule term, can be interpreted in terms of a superposition of pairwise interactions between individual atoms (or local chiral centers) on the two molecules. Contributions to κIJ when one molecule is excited in the virtual state are of order R-7IJ for helical molecules which are assumed not to have a global dipole moment, but whose atoms

  9. Interaction of chiral rafts in self-assembled colloidal membranes

    NASA Astrophysics Data System (ADS)

    Xie, Sheng; Hagan, Michael F.; Pelcovits, Robert A.

    2016-03-01

    Colloidal membranes are monolayer assemblies of rodlike particles that capture the long-wavelength properties of lipid bilayer membranes on the colloidal scale. Recent experiments on colloidal membranes formed by chiral rodlike viruses showed that introducing a second species of virus with different length and opposite chirality leads to the formation of rafts—micron-sized domains of one virus species floating in a background of the other viruses [Sharma et al., Nature (London) 513, 77 (2014), 10.1038/nature13694]. In this article we study the interaction of such rafts using liquid crystal elasticity theory. By numerically minimizing the director elastic free energy, we predict the tilt angle profile for both a single raft and two rafts in a background membrane, and the interaction between two rafts as a function of their separation. We find that the chiral penetration depth in the background membrane sets the scale for the range of the interaction. We compare our results with the experimental data and find good agreement for the strength and range of the interaction. Unlike the experiments, however, we do not observe a complete collapse of the data when rescaled by the tilt angle at the raft edge.

  10. RKKY interaction in a chirally coupled double quantum dot system

    SciTech Connect

    Heine, A. W.; Tutuc, D.; Haug, R. J.; Zwicknagl, G.; Schuh, D.; Wegscheider, W.

    2013-12-04

    The competition between the Kondo effect and the Ruderman-Kittel-Kasuya-Yoshida (RKKY) interaction is investigated in a double quantum dots system, coupled via a central open conducting region. A perpendicular magnetic field induces the formation of Landau Levels which in turn give rise to the so-called Kondo chessboard pattern in the transport through the quantum dots. The two quantum dots become therefore chirally coupled via the edge channels formed in the open conducting area. In regions where both quantum dots exhibit Kondo transport the presence of the RKKY exchange interaction is probed by an analysis of the temperature dependence. The thus obtained Kondo temperature of one dot shows an abrupt increase at the onset of Kondo transport in the other, independent of the magnetic field polarity, i.e. edge state chirality in the central region.

  11. C12 properties with evolved chiral three-nucleon interactions

    NASA Astrophysics Data System (ADS)

    Maris, P.; Vary, J. P.; Calci, A.; Langhammer, J.; Binder, S.; Roth, R.

    2014-07-01

    We investigate selected static and transition properties of C12 using ab initio no-core shell model (NCSM) methods with chiral two- and three-nucleon interactions. We adopt the similarity renormalization group (SRG) to assist convergence including up to three-nucleon (3N) contributions. We examine the dependencies of the 12C observables on the SRG evolution scale and on the model-space parameters. We obtain nearly converged low-lying excitation spectra. We compare results of the full NCSM with the importance truncated NCSM in large model spaces for benchmarking purposes. We highlight the effects of the chiral 3N interaction on several spectroscopic observables. The agreement of some observables with experiment is improved significantly by the inclusion of 3N interactions, e.g., the B (M1) from the first JπT=1+1 state to the ground state. However, in some cases the agreement deteriorates, e.g., for the excitation energy of the first 1+0 state, leaving room for improved next-generation chiral Hamiltonians.

  12. QCD with chiral 4-fermion interactions ({chi}QCD)

    SciTech Connect

    Kogut, J.B.; Sinclair, D.K.

    1996-10-01

    Lattice QCD with staggered quarks is augmented by the addition of a chiral 4-fermion interaction. The Dirac operator is now non-singular at m{sub q}=0, decreasing the computing requirements for light quark simulations by at least an order of magnitude. We present preliminary results from simulations at finite and zero temperatures for m{sub q}=0, with and without gauge fields. Chiral QCD enables simulations at physical u and d quark masses with at least an order of magnitude saving in CPU time. It also enables simulations with zero quark masses which is important for determining the equation of state. A renormalization group analysis will be needed to continue to the continuum limit. 7 refs., 2 figs.

  13. The Soliton-Soliton Interaction in the Chiral Dilaton Model

    NASA Astrophysics Data System (ADS)

    Mantovani-Sarti, Valentina; Park, Byung-Yoon; Vento, Vicente

    2013-10-01

    We study the interaction between two B = 1 states in the Chiral Dilaton Model where baryons are described as nontopological solitons arising from the interaction of chiral mesons and quarks. By using the hedgehog solution for B = 1 states we construct, via a product ansatz, three possible B = 2 configurations to analyse the role of the relative orientation of the hedgehog quills in the dynamics of the soliton-soliton interaction and investigate the behavior of these solutions in the range of long/intermediate distance. One of the solutions is quite binding due to the dynamics of the π and σ fields at intermediate distance and should be used for nuclear matter studies. Since the product ansatz break down as the two solitons get close, we explore the short range distance regime with a model that describes the interaction via a six-quark bag ansatz. We calculate the interaction energy as a function of the inter-soliton distance and show that for small separations the six quarks bag, assuming a hedgehog structure, provides a stable bound state that at large separations connects with a special configuration coming from the product ansatz.

  14. Interaction of Two Filament Channels of Different Chiralities

    NASA Astrophysics Data System (ADS)

    Joshi, Navin Chandra; Filippov, Boris; Schmieder, Brigitte; Magara, Tetsuya; moon, Young-Jae; Uddin, Wahab

    2016-07-01

    We present observations of the interactions between the two filament channels of different chiralities and associated dynamics that occurred during 2014 April 18–20. While two flux ropes of different helicity with parallel axial magnetic fields can only undergo a bounce interaction when they are brought together, the observations at first glance show that the heated plasma is moving from one filament channel to the other. The SDO/AIA 171 Å observations and the potential-field source-surface magnetic field extrapolation reveal the presence of a fan-spine magnetic configuration over the filament channels with a null point located above them. Three different events of filament activations, partial eruptions, and associated filament channel interactions have been observed. The activation initiated in one filament channel seems to propagate along the neighboring filament channel. We believe that the activation and partial eruption of the filaments brings the field lines of flux ropes containing them closer to the null point and triggers the magnetic reconnection between them and the fan-spine magnetic configuration. As a result, the hot plasma moves along the outer spine line toward the remote point. Utilizing the present observations, for the first time we have discussed how two different-chirality filament channels can interact and show interrelation.

  15. Peripheral NN scattering from subtractive renormalization of chiral interactions

    SciTech Connect

    Batista, E. F.; Szpigel, S.; Timóteo, V. S.

    2014-11-11

    We apply five subtractions in the Lippman-Schwinger (LS) equation in order to perform a non-perturbative renormalization of chiral N3LO nucleon-nucleon interactions. Here we compute the phase shifts for the uncoupled peripheral waves at renormalization scales between 0.1 fm{sup −1} and 1 fm{sup −1}. In this range, the results are scale invariant and provide an overall good agreement with the Nijmegen partial wave analysis up to at least E{sub lab} = 150 MeV, with a cutoff at Λ = 30 fm{sup −1}.

  16. Distinguishability and chiral stability in solution: Effects of decoherence and intermolecular interactions

    SciTech Connect

    Han, Heekyung; Wardlaw, David M.; Frolov, Alexei M.

    2014-05-28

    We examine the effect of decoherence and intermolecular interactions (chiral discrimination energies) on the chiral stability and the distinguishability of initially pure versus mixed states in an open chiral system. Under a two-level approximation for a system, intermolecular interactions are introduced by a mean-field theory, and interaction between a system and an environment is modeled by a continuous measurement of a population difference between the two chiral states. The resultant equations are explored for various parameters, with emphasis on the combined effects of the initial condition of the system, the chiral discrimination energies, and the decoherence in determining: the distinguishability as measured by a population difference between the initially pure and mixed states, and the decoherence process; the chiral stability as measured by the purity decay; and the stationary state of the system at times long relative to the time scales of the system dynamics and of the environmental effects.

  17. Accurate nuclear radii and binding energies from a chiral interaction

    DOE PAGESBeta

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shellmore » nuclei are in reasonable agreement with experiment.« less

  18. Accurate nuclear radii and binding energies from a chiral interaction

    SciTech Connect

    Ekstrom, Jan A.; Jansen, G. R.; Wendt, Kyle A.; Hagen, Gaute; Papenbrock, Thomas F.; Carlsson, Boris; Forssen, Christian; Hjorth-Jensen, M.; Navratil, Petr; Nazarewicz, Witold

    2015-05-01

    With the goal of developing predictive ab initio capability for light and medium-mass nuclei, two-nucleon and three-nucleon forces from chiral effective field theory are optimized simultaneously to low-energy nucleon-nucleon scattering data, as well as binding energies and radii of few-nucleon systems and selected isotopes of carbon and oxygen. Coupled-cluster calculations based on this interaction, named NNLOsat, yield accurate binding energies and radii of nuclei up to 40Ca, and are consistent with the empirical saturation point of symmetric nuclear matter. In addition, the low-lying collective Jπ=3- states in 16O and 40Ca are described accurately, while spectra for selected p- and sd-shell nuclei are in reasonable agreement with experiment.

  19. Plasmon-induced strong interaction between chiral molecules and orbital angular momentum of light

    PubMed Central

    Wu, Tong; Wang, Rongyao; Zhang, Xiangdong

    2015-01-01

    Whether or not chiral interaction exists between the optical orbital angular momentum (OAM) and a chiral molecule remains unanswered. So far, such an interaction has not been observed experimentally. Here we present a T-matrix method to study the interaction between optical OAM and the chiral molecule in a cluster of nanoparticles. We find that strong interaction between the chiral molecule and OAM can be induced by the excitation of plasmon resonances. An experimental scheme to observe such an interaction has been proposed. Furthermore, we have found that the signal of the OAM dichroism can be either positive or negative, depending on the spatial positions of nanocomposites in the cross-sections of OAM beams. The cancellation between positive and negative signals in the spatial average can explain why the interaction has not been observed in former experiments. PMID:26656892

  20. Plasmon-induced strong interaction between chiral molecules and orbital angular momentum of light

    NASA Astrophysics Data System (ADS)

    Wu, Tong; Wang, Rongyao; Zhang, Xiangdong

    2015-12-01

    Whether or not chiral interaction exists between the optical orbital angular momentum (OAM) and a chiral molecule remains unanswered. So far, such an interaction has not been observed experimentally. Here we present a T-matrix method to study the interaction between optical OAM and the chiral molecule in a cluster of nanoparticles. We find that strong interaction between the chiral molecule and OAM can be induced by the excitation of plasmon resonances. An experimental scheme to observe such an interaction has been proposed. Furthermore, we have found that the signal of the OAM dichroism can be either positive or negative, depending on the spatial positions of nanocomposites in the cross-sections of OAM beams. The cancellation between positive and negative signals in the spatial average can explain why the interaction has not been observed in former experiments.

  1. Optimized Chiral Nucleon-Nucleon Interaction at Next-to-Next-to-Leading Order

    SciTech Connect

    Nazarewicz, Witold; Hagen, Gaute; Papenbrock, T.; Sarich, J.; Wild, S.; Baardsen, G.; Hjorth-Jensen, Morten; Jansen, G. R.

    2013-01-01

    We optimize the nucleon-nucleon interaction from chiral effective field theory at next-to-next-toleading order (NNLO). The resulting new chiral force NNLOopt yields 2 1 per degree of freedom for laboratory energies below approximately 125 MeV. In the A 3, 4 nucleon systems, the contributions of three-nucleon forces are smaller than for previous parametrizations of chiral interactions. We use NNLOopt to study properties of key nuclei and neutron matter, and we demonstrate that many aspects of nuclear structure can be understood in terms of this nucleon-nucleon interaction, without explicitly invoking three-nucleon forces.

  2. Chiral magnetic conductivity in an interacting lattice model of parity-breaking Weyl semimetal

    NASA Astrophysics Data System (ADS)

    Buividovich, P. V.; Puhr, M.; Valgushev, S. N.

    2015-11-01

    We report on the mean-field study of the chiral magnetic effect (CME) in static magnetic fields within a simple model of parity-breaking Weyl semimetal given by the lattice Wilson-Dirac Hamiltonian with constant chiral chemical potential. We consider both the mean-field renormalization of the model parameters and nontrivial corrections to the CME originating from resummed ladder diagrams with arbitrary number of loops. We find that onsite repulsive interactions affect the chiral magnetic conductivity almost exclusively through the enhancement of the renormalized chiral chemical potential. Our results suggest that nontrivial corrections to the chiral magnetic conductivity due to interfermion interactions are not relevant in practice since they only become important when the CME response is strongly suppressed by the large gap in the energy spectrum.

  3. Formation of Coaxial Nanocables with Amplified Supramolecular Chirality through an Interaction between Carbon Nanotubes and a Chiral π-Gelator.

    PubMed

    Vedhanarayanan, Balaraman; Nair, Vishnu S; Nair, Vijayakumar C; Ajayaghosh, Ayyappanpillai

    2016-08-22

    In an attempt to gather experimental evidence for the influence of carbon allotropes on supramolecular chirality, we found that carbon nanotubes (CNTs) facilitate amplification of the molecular chirality of a π-gelator (MC-OPV) to supramolecular helicity at a concentration much lower than that required for intermolecular interaction. For example, at a concentration 1.8×10(-4)  m, MC-OPV did not exhibit a CD signal; however, the addition of 0-0.6 mg of SWNTs resulted in amplified chirality as evident from the CD spectrum. Surprisingly, AFM analysis revealed the formation of thick helical fibers with a width of more than 100 nm. High-resolution TEM analysis and solid-state UV/Vis/NIR spectroscopy revealed that the thick helical fibers were cylindrical cables composed of individually wrapped and coaxially aligned SWNTs. Such an impressive effect of CNTs on supramolecular chirality and cylindrical-cable formation has not been reported previously. PMID:27461073

  4. Spontaneous chiral resolution directed by symmetry restriction and π-π interaction

    NASA Astrophysics Data System (ADS)

    Yu, Jin-Tao; Shi, Yan-Yan; Sun, Junliang; Lin, Jianhua; Huang, Zhi-Tang; Zheng, Qi-Yu

    2013-10-01

    In order to understand and rationally construct homochiral self-assembled structures from racemic molecules, two novel crystalline metal-organic frameworks with chiral cavities were developed. The homochirality of the layers in both MOFs was achieved by forming strong coordinate bonds between the C3-symmetric cyclotriveratrylene and Zn4O(CO2)6 cluster. By changing weak π-π interactions between organic building blocks, the achiral assembly of ZnCTV-1 was successfully transformed into a chiral assembly in ZnCTV-2. This study demonstrated a possible route for designing the synthesis of chiral MOF through weak interactions.

  5. Uncertainty analysis of 208Pb neutron skin predictions with chiral interactions

    SciTech Connect

    Sammarruca, Francesca

    2015-09-14

    Here, we report predictions for the neutron skin in 208Pb using chiral two- and three-body interactions at increasing orders of chiral effective field theory and varying resolution scales. Closely related quantities, such as the slope of the symmetry energy, are also discussed. As a result, the sensitivity of the skin to just pure neutron matter pressure when going from order 2 to order 4 of chiral effective theory is singled out in a set of calculations that employ an empirical equation of state for symmetric nuclear matter.

  6. Friction-induced enhancement in the optical activity of interacting chiral molecules

    NASA Astrophysics Data System (ADS)

    Bargueño, Pedro; Peñate-Rodríguez, Helen C.; Gonzalo, Isabel; Sols, Fernando; Miret-Artés, Salvador

    2011-11-01

    The stability of chiral molecules described by a non-linear two-state system which accounts for mean-field interactions between different isomers, including any external chiral influence (in particular, the parity violating energy difference) is investigated. By introducing the population and phase difference of the chiral states as a pair of canonical variables, driving an analogy to a bosonic Josephson junction, our study to include dissipative effects in condensed phase described by a Caldeira-Leggett like Hamiltonian is extended using the Langevin formalism. Dissipative effects produce an enhancement in the population difference, not leading to racemization.

  7. Uncertainty analysis of 208Pb neutron skin predictions with chiral interactions

    DOE PAGESBeta

    Sammarruca, Francesca

    2015-09-14

    Here, we report predictions for the neutron skin in 208Pb using chiral two- and three-body interactions at increasing orders of chiral effective field theory and varying resolution scales. Closely related quantities, such as the slope of the symmetry energy, are also discussed. As a result, the sensitivity of the skin to just pure neutron matter pressure when going from order 2 to order 4 of chiral effective theory is singled out in a set of calculations that employ an empirical equation of state for symmetric nuclear matter.

  8. Nematicons deflection through interaction with disclination lines in chiral nematic liquid crystals

    SciTech Connect

    Laudyn, Urszula A.; Karpierz, Miroslaw A.

    2013-11-25

    In this work, we study experimentally the interaction of spatial optical soliton in chiral nematic liquid crystals with disclination line created in a wedge shaped cell. We show that in most cases the self-confined beam preserves this interaction. We demonstrate that this interaction can be employed for efficient bending of the soliton trajectory, as a result of reflection and refraction.

  9. Surface mediated chiral interactions between cyclodextrins and propranolol enantiomers: a SERS and DFT study.

    PubMed

    Stiufiuc, Rares; Iacovita, Cristian; Stiufiuc, Gabriela; Bodoki, Ede; Chis, Vasile; Lucaciu, Constantin M

    2015-01-14

    The nanoparticles mediated enantioselective recognition of propranolol enantiomers through native cyclodextrin complexation has been investigated by using surface-enhanced Raman spectroscopy (SERS). The highly efficient chiral recognition mechanism is based on a synergistic interaction between spherical noble metal nanoparticles, propranolol enantiomers and native cyclodextrins (CDs). Amongst the native cyclodextrins, β-CD has the highest chiral recognition ability for propranolol enantiomers, due to its specific shape and cavity size, thus producing the largest difference between the recorded SERS spectra of the two hosted enantiomers. The molecular interaction mechanism responsible for enantioselectivity was furthermore proven by quantum chemical calculations based on density functional theory (DFT). The theoretical calculations and experimental SER spectra allowed the assignment of functional moieties involved in the chiral recognition mechanism. The most important factors governing the highly efficient chiral probing by SERS are the fundamentally different mechanism of interaction between the R- and S-enantiomers and β-CD and the strength of interaction between the nanoparticle surface and the two propranolol-CD complexes. The role of metallic nanoparticles in the enantioselective recognition process has been experimentally evaluated by using silver and gold nanoparticles as SERS substrates, given their ability to interact differently with the complexes. The viability of this new method for chiral discrimination has been demonstrated for both substrates and could open new avenues for these kinds of applications. PMID:25420457

  10. Sensitivities and correlations of nuclear structure observables emerging from chiral interactions

    NASA Astrophysics Data System (ADS)

    Calci, Angelo; Roth, Robert

    2016-07-01

    Starting from a set of different two- and three-nucleon interactions from chiral effective field theory, we use the importance-truncated no-core shell model for ab initio calculations of excitation energies as well as electric quadrupole (E 2 ) and magnetic dipole (M 1 ) moments and transition strengths for selected p -shell nuclei. We explore the sensitivity of the excitation energies to the chiral interactions as a first step towards and systematic uncertainty propagation from chiral inputs to nuclear structure observables. The uncertainty band spanned by the different chiral interactions is typically in agreement with experimental excitation energies, but we also identify observables with notable discrepancies beyond the theoretical uncertainty that reveal insufficiencies in the chiral interactions. For electromagnetic observables we identify correlations among pairs of E 2 or M 1 observables based on the ab initio calculations for the different interactions. We find extremely robust correlations for E 2 observables and illustrate how these correlations can be used to predict one observable based on an experimental datum for the second observable. In this way we circumvent convergence issues and arrive at far more accurate results than any direct ab initio calculation. A prime example for this approach is the quadrupole moment of the first 2+ state in 12C, which is predicted with an drastically improved accuracy.

  11. Optical Activity of Chiral Nanomaterials: Effects of Short Range and Long Range Electromagnetic Interactions

    NASA Astrophysics Data System (ADS)

    Fan, Zhiyuan

    In this dissertation, chiral nanomaterials with new plasmonic properties have been investigated. Electromagnetic interactions between well-defined building blocks in nanomaterials are modeled using classical and quantum mechanical theories. We predict several new mechanisms of plasmonic circular dichroism (CD) signals in chiral nanomaterials. The predicted CD mechanisms include plasmon-plasmon interactions of nanoparticle assemblies, plasmon-exciton interactions of molecule-nanoparticle conjugates, multipole plasmon mixing in chiral metal nanocrystals and electrodynamic effect of long range plasmon-exciton interactions. It is efficient and accurate to simulate light-matter interactions with analytic solutions. However, only a limited number of geometries can be solved analytically. Many numerical tools based on finite element methods, discrete dipole approximation or finite-difference time-domain methods are available currently. These methods are capable of simulating nanostructures with arbitrary shapes. Numerical simulations using such software have shown agreements with analytical results of our models. Hence, this study may offer a new approach to design of complex nanostructures for sensing of chiral molecules. This dissertation also reviews several experimental papers that have demonstrated successful fabrications of chiral nanostructures and nano-assemblies with new plasmonic CD signals. Our theories strongly motivated the field and have been used in many experimental studies for interpretation and understanding of observations.

  12. 48 CFR 32.1104 - Protection of EFT information.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... GENERAL CONTRACTING REQUIREMENTS CONTRACT FINANCING Electronic Funds Transfer 32.1104 Protection of EFT information. The Government shall protect against improper disclosure of contractors' EFT information....

  13. Three-dimensional chiral skyrmions with attractive interparticle interactions.

    PubMed

    Leonov, A O; Monchesky, T L; Loudon, J C; Bogdanov, A N

    2016-09-01

    We introduce a new class of isolated three-dimensional skyrmion that can occur within the cone phase of chiral magnetic materials. These novel solitonic states consist of an axisymmetric core separated from the host phase by an asymmetric shell. These skyrmions attract one another. We derive regular solutions for isolated skyrmions arising in the cone phase of cubic helimagnets and investigate their bound states. PMID:27365366

  14. Three-dimensional chiral skyrmions with attractive interparticle interactions

    NASA Astrophysics Data System (ADS)

    Leonov, A. O.; Monchesky, T. L.; Loudon, J. C.; Bogdanov, A. N.

    2016-09-01

    We introduce a new class of isolated three-dimensional skyrmion that can occur within the cone phase of chiral magnetic materials. These novel solitonic states consist of an axisymmetric core separated from the host phase by an asymmetric shell. These skyrmions attract one another. We derive regular solutions for isolated skyrmions arising in the cone phase of cubic helimagnets and investigate their bound states.

  15. 48 CFR 832.1106 - EFT mechanisms.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false EFT mechanisms. 832.1106 Section 832.1106 Federal Acquisition Regulations System DEPARTMENT OF VETERANS AFFAIRS GENERAL CONTRACTING REQUIREMENTS CONTRACT FINANCING Electronic Funds Transfer 832.1106 EFT mechanisms. (a) The Assistant...

  16. Manifestations of electron interactions in photogalvanic effect in chiral nanotubes

    NASA Astrophysics Data System (ADS)

    Matthews, Raphael; Agam, Oded; Andreev, Anton; Spivak, Boris

    2012-05-01

    Carbon nanotubes provide one of the most accessible experimental realizations of one-dimensional electron systems. In the experimentally relevant regime of low doping, the Luttinger liquid formed by electrons may be approximated by a Wigner crystal. The crystal-like electronic order suggests that nanotubes exhibit effects similar to the Mössbauer effect where the momentum of an emitted photon is absorbed by the whole crystal. We show that the circular photovoltaic effect in chiral nanotubes is of the same nature. We obtain the frequency dependence of the photovoltage and characterize its singularities in a broad frequency range where the electron correlations are essential. Our predictions provide a basis for using the photogalvanic effect as a new experimental probe of electron correlations in nanotubes.

  17. Testing semilocal chiral two-nucleon interaction in selected electroweak processes

    NASA Astrophysics Data System (ADS)

    Skibiński, R.; Golak, J.; Topolnicki, K.; Witała, H.; Epelbaum, E.; Krebs, H.; Kamada, H.; Meißner, Ulf-G.; Nogga, A.

    2016-06-01

    The recently developed semilocal improved chiral nucleon-nucleon interaction is used for the first time to study several electromagnetic and weak processes at energies below the pion production threshold. Cross sections and selected polarization observables for deuteron photodisintegration, nucleon-deuteron radiative capture, three-body 3He photodisintegration, as well as capture rates for decays of the muonic 2H and 3He atoms are calculated. The Lippmann-Schwinger and Faddeev equations in momentum space are solved to obtain nuclear states. The electromagnetic current operator is taken as a single nucleon current supplemented by many-body contributions induced via the Siegert theorem. For muon capture processes the nonrelativistic weak current together with the dominant relativistic corrections is used. Our results compare well with experimental data, demonstrating the same quality as is observed for the semiphenomenological Argonne V18 potential. Compared to the older version of the chiral potential with a nonlocal regularization, a much smaller cut-off dependence is found for the state-of-art chiral local interaction employed in this paper. Finally, estimates of errors due to the truncation of the chiral expansion are given.

  18. Chiral Three-Nucleon Interactions in Light Nuclei, Neutron-α Scattering, and Neutron Matter

    NASA Astrophysics Data System (ADS)

    Lynn, J. E.; Tews, I.; Carlson, J.; Gandolfi, S.; Gezerlis, A.; Schmidt, K. E.; Schwenk, A.

    2016-02-01

    We present quantum Monte Carlo calculations of light nuclei, neutron-α scattering, and neutron matter using local two- and three-nucleon (3 N ) interactions derived from chiral effective field theory up to next-to-next-to-leading order (N2LO ). The two undetermined 3 N low-energy couplings are fit to the 4He binding energy and, for the first time, to the spin-orbit splitting in the neutron-α P -wave phase shifts. Furthermore, we investigate different choices of local 3 N -operator structures and find that chiral interactions at N2LO are able to simultaneously reproduce the properties of A =3 ,4 ,5 systems and of neutron matter, in contrast to commonly used phenomenological 3 N interactions.

  19. Nuclear saturation in lowest-order Brueckner theory with two- and three-nucleon forces in view of chiral effective field theory

    NASA Astrophysics Data System (ADS)

    Kohno, M.

    2015-12-01

    The nuclear saturation mechanism is discussed in terms of two-nucleon and three-nucleon interactions in chiral effective field theory (Ch-EFT), using the framework of lowest-order Brueckner theory. After the Coester band, which is observed in calculating saturation points with various nucleon-nucleon (NN) forces, is revisited using modern NN potentials and their low-momentum equivalent interactions, a detailed account of the saturation curve of the Ch-EFT interaction is presented. The three-nucleon force (3NF) is treated by reducing it to an effective two-body interaction by folding the third nucleon degrees of freedom. Uncertainties due to the choice of the 3NF low-energy constants c_D and c_E are discussed. The reduction of the cutoff-energy dependence of the NN potential is explained by demonstrating the effect of the 3NF in the ^1S_0 and ^3S_1 states.

  20. Self-Assembly of Hierarchical Chiral Nanostructures Based on Metal-Benzimidazole Interactions: Chiral Nanofibers, Nanotubes, and Microtubular Flowers.

    PubMed

    Zhou, Xiaoqin; Jin, Qingxian; Zhang, Li; Shen, Zhaocun; Jiang, Long; Liu, Minghua

    2016-09-01

    Controlled hierarchical self-assembly of synthetic molecules into chiral nanoarchitectures to mimic those biological chiral structures is of great importance. Here, a low-molecular-weight organogelator containing a benzimidazole moiety conjugated with an amphiphilic l-glutamic amide has been designed and its self-assembly into various hierarchical chiral nanostructures is investigated. Upon gel formation in organic solvents, 1D chiral nanostructure such as nanofiber and nanotube are obtained depending on the solvents. In the presence of transition and rare earth metal ions, hierarchical chiral nanostructures are formed. Specifically, the addition of TbCl3 , EuCl3 , and AgNO3 leads to nanofiber structures, while the addition of Cu(NO3 )2 , Tb(NO3 )3 , or Eu(NO3 )3 provides the microflower structures and microtubular flower structures, respectively. While Eu(III) and Tb(III)-containing microtubular flowers keep the chirality, the Cu(II)-coordinated microflowers lose chirality. More interestingly, the nanofibers formed by the gelator coordinated with Eu(III) or Tb(III) ions show not only the supramolecular chirality but also the circularly polarized luminescence. PMID:27248367

  1. Chiral superfluidity with p-wave symmetry from an interacting s-wave atomic Fermi gas.

    PubMed

    Liu, Bo; Li, Xiaopeng; Wu, Biao; Liu, W Vincent

    2014-01-01

    Chiral p-wave superfluids are fascinating topological quantum states of matter that have been found in the liquid (3)He-A phase and arguably in the electronic Sr2RuO4 superconductor. They are fundamentally related to the fractional 5/2 quantum Hall state, which supports fractional exotic excitations. Past studies show that they require spin-triplet pairing of fermions by p-wave interaction. Here we report that a p-wave chiral superfluid state can arise from spin-singlet pairing for an s-wave interacting atomic Fermi gas in an optical lattice. This p-wave state is conceptually distinct from all previous conventional p-wave states as it is for the centre-of-mass motion, instead of the relative motion. It leads to spontaneous generation of angular momentum, finite Chern numbers and topologically protected chiral fermionic zero modes bounded to domain walls, all occuring at a higher critical temperature in relative scales. Signature quantities are predicted for the cold atom experimental condition. PMID:25266996

  2. Possible chirality in the doubly-odd {sup 198}Tl nucleus: Residual interaction at play

    SciTech Connect

    Lawrie, E. A.; Lawrie, J. J.; Bark, R. A.; Mullins, S. M.; Murray, S. H. T.; Vymers, P. A.; Maliage, S. M.; Masiteng, P. L.; Ramashidzha, T. M.; Sharpey-Schafer, J. F.; Shirinda, O.; Vieu, Ch.; Schueck, C.; Lindsay, R.; Mabala, G. K.; Ragnarsson, I.

    2008-08-15

    A candidate for chiral bands was found in {sup 198}Tl for the first time in a mass region of oblate (or nonaxial with {gamma}{>=}30 deg.) deformed nuclei. Two bands show very similar quasiparticle alignments, moments of inertia, and B(M1)/B(E2) ratios. They have a relative excitation energy of about 500 keV and different patterns of energy staggering. Calculations using the two-quasiparticle-plus-triaxial-rotor model with residual proton-neutron interaction included show that a triaxial deformation with {gamma}{approx}44 deg. agrees very well with all the experimental observations. Furthermore, considerable energy staggering for both partner bands was calculated for this {pi}h{sub 9/2} x {nu}i{sub 13/2}{sup -1} configuration at {gamma}{approx}30 deg., suggesting that chiral bands may have substantial energy staggering.

  3. Chiral magnetism and spontaneous spin Hall effect of interacting Bose superfluids

    NASA Astrophysics Data System (ADS)

    Li, Xiaopeng; Natu, Stefan; Paramekanti, Arun

    2015-03-01

    Recent experiments on ultracold atoms in optical lattices have synthesized a variety of tunable bands with degenerate double-well structures in momentum space. Such degeneracies in the single particle spectrum strongly enhance quantum fluctuations, and may lead to exotic many-body ground states. We consider weakly interacting spinor Bose gases in such bands, and discover a universal quantum ``order by disorder'' phenomenon which selects a novel chiral spin superfluid with remarkable properties such as spontaneous anomalous spin Hall effect and momentum space antiferromagnetism. For bosons in the excited Dirac band of a hexagonal lattice, such a state supports staggered spin loop currents in real space. We show that Bloch oscillations provide a powerful dynamical route to quantum state preparation of such a chiral spin superfluid. Our predictions can be readily tested in spin resolved time-of-flight experiments. JQI-NSF-PFC, ARO-Atomtronics-MURI, NSERC of Canada.

  4. Chiral magnetism and spontaneous spin Hall effect of interacting Bose superfluids

    NASA Astrophysics Data System (ADS)

    Li, Xiaopeng; Natu, Stefan S.; Paramekanti, Arun; Sarma, S. Das

    2014-10-01

    Recent experiments on ultracold atoms in optical lattices have synthesized a variety of tunable bands with degenerate double-well structures in momentum space. Such degeneracies in the single-particle spectrum strongly enhance quantum fluctuations, and often lead to exotic many-body ground states. Here we consider weakly interacting spinor Bose gases in such bands, and discover a universal quantum ‘order by disorder’ phenomenon which selects a novel superfluid with chiral spin order displaying remarkable properties such as spontaneous spin Hall effect and momentum space antiferromagnetism. For bosons in the excited Dirac band of a hexagonal lattice, such a state supports staggered spin loop currents in real space. We show that Bloch oscillations provide a powerful dynamical route to quantum state preparation of such a chiral spin superfluid. Our predictions can be readily tested in spin-resolved time-of-flight experiments.

  5. Chiral magnetism and spontaneous spin Hall effect of interacting Bose superfluids.

    PubMed

    Li, Xiaopeng; Natu, Stefan S; Paramekanti, Arun; Das Sarma, S

    2014-01-01

    Recent experiments on ultracold atoms in optical lattices have synthesized a variety of tunable bands with degenerate double-well structures in momentum space. Such degeneracies in the single-particle spectrum strongly enhance quantum fluctuations, and often lead to exotic many-body ground states. Here we consider weakly interacting spinor Bose gases in such bands, and discover a universal quantum 'order by disorder' phenomenon which selects a novel superfluid with chiral spin order displaying remarkable properties such as spontaneous spin Hall effect and momentum space antiferromagnetism. For bosons in the excited Dirac band of a hexagonal lattice, such a state supports staggered spin loop currents in real space. We show that Bloch oscillations provide a powerful dynamical route to quantum state preparation of such a chiral spin superfluid. Our predictions can be readily tested in spin-resolved time-of-flight experiments. PMID:25300774

  6. Asymmetric nuclear matter based on chiral two- and three-nucleon interactions

    NASA Astrophysics Data System (ADS)

    Drischler, C.; Hebeler, K.; Schwenk, A.

    2016-05-01

    We calculate the properties of isospin-asymmetric nuclear matter based on chiral nucleon-nucleon (NN) and three-nucleon (3N) interactions. To this end, we develop an improved normal-ordering framework that allows us to include general 3N interactions starting from a plane-wave partial-wave-decomposed form. We present results for the energy per particle for general isospin asymmetries based on a set of different Hamiltonians, study their saturation properties, the incompressibility, symmetry energy, and also provide an analytic parametrization for the energy per particle as a function of density and isospin asymmetry.

  7. Chirally selective, intramolecular interaction observed in an aminoacyl adenylate anhydride

    NASA Technical Reports Server (NTRS)

    Lacey, J. C., Jr.; Hall, L. M.; Mullins, D. W., Jr.; Watkins, C. L.

    1985-01-01

    The interaction between amino acids and nucleotide bases is studied. The proton NMR spectrum of N-acetylphenylalanyl-AMP-anhydride is analyzed H8 and H2 signals, two upfield signals of equal size, and five phenylalanine ring proton signals are observed in the spectrum; the upfield movement of the proton and the racemization of the N-acetyl L-phenylalanine material are examined. The differences in the position of the signals due to the diastereoisomers are investigated. The separation of the D and L amino acyl adenylates using HPLC is described. H-1 NMR spectra of the isomers are examined in order to determine which isomer displays the strongest interaction between the phenyl ring and the adenine ring. The spectra reveal that the L isomer shows the highest upfield change of both H8 and H2 signals. It is noted that the phenyl ring lies over C2 of the adenine ring with the phenyl meta and para protons extended past the adenine ring and the phenyl ortho protons.

  8. Capacitance-modulated transistor detects odorant binding protein chiral interactions.

    PubMed

    Mulla, Mohammad Yusuf; Tuccori, Elena; Magliulo, Maria; Lattanzi, Gianluca; Palazzo, Gerardo; Persaud, Krishna; Torsi, Luisa

    2015-01-01

    Peripheral events in olfaction involve odorant binding proteins (OBPs) whose role in the recognition of different volatile chemicals is yet unclear. Here we report on the sensitive and quantitative measurement of the weak interactions associated with neutral enantiomers differentially binding to OBPs immobilized through a self-assembled monolayer to the gate of an organic bio-electronic transistor. The transduction is remarkably sensitive as the transistor output current is governed by the small capacitance of the protein layer undergoing minute changes as the ligand-protein complex is formed. Accurate determination of the free-energy balances and of the capacitance changes associated with the binding process allows derivation of the free-energy components as well as of the occurrence of conformational events associated with OBP ligand binding. Capacitance-modulated transistors open a new pathway for the study of ultra-weak molecular interactions in surface-bound protein-ligand complexes through an approach that combines bio-chemical and electronic thermodynamic parameters. PMID:25591754

  9. Capacitance-modulated transistor detects odorant binding protein chiral interactions

    PubMed Central

    Mulla, Mohammad Yusuf; Tuccori, Elena; Magliulo, Maria; Lattanzi, Gianluca; Palazzo, Gerardo; Persaud, Krishna; Torsi, Luisa

    2015-01-01

    Peripheral events in olfaction involve odorant binding proteins (OBPs) whose role in the recognition of different volatile chemicals is yet unclear. Here we report on the sensitive and quantitative measurement of the weak interactions associated with neutral enantiomers differentially binding to OBPs immobilized through a self-assembled monolayer to the gate of an organic bio-electronic transistor. The transduction is remarkably sensitive as the transistor output current is governed by the small capacitance of the protein layer undergoing minute changes as the ligand–protein complex is formed. Accurate determination of the free-energy balances and of the capacitance changes associated with the binding process allows derivation of the free-energy components as well as of the occurrence of conformational events associated with OBP ligand binding. Capacitance-modulated transistors open a new pathway for the study of ultra-weak molecular interactions in surface-bound protein–ligand complexes through an approach that combines bio-chemical and electronic thermodynamic parameters. PMID:25591754

  10. Capacitance-modulated transistor detects odorant binding protein chiral interactions

    NASA Astrophysics Data System (ADS)

    Mulla, Mohammad Yusuf; Tuccori, Elena; Magliulo, Maria; Lattanzi, Gianluca; Palazzo, Gerardo; Persaud, Krishna; Torsi, Luisa

    2015-01-01

    Peripheral events in olfaction involve odorant binding proteins (OBPs) whose role in the recognition of different volatile chemicals is yet unclear. Here we report on the sensitive and quantitative measurement of the weak interactions associated with neutral enantiomers differentially binding to OBPs immobilized through a self-assembled monolayer to the gate of an organic bio-electronic transistor. The transduction is remarkably sensitive as the transistor output current is governed by the small capacitance of the protein layer undergoing minute changes as the ligand-protein complex is formed. Accurate determination of the free-energy balances and of the capacitance changes associated with the binding process allows derivation of the free-energy components as well as of the occurrence of conformational events associated with OBP ligand binding. Capacitance-modulated transistors open a new pathway for the study of ultra-weak molecular interactions in surface-bound protein-ligand complexes through an approach that combines bio-chemical and electronic thermodynamic parameters.

  11. Spectroscopic investigations of the chiral interactions between lipase and the herbicide dichlorprop.

    PubMed

    Wen, Yue-Zhong; Yuan, Yu-Li; Shen, Chen-Si; Liu, Hui-Jun; Liu, Wei-Ping

    2009-03-01

    The enantioselective interaction between penicillium expansum alkaline lipase and chiral phenoxypropionic acid herbicide dichlorprop was studied by using UV differential spectrophotometry and fluorescence spectrophotometry in the presence of a pH 8, phosphate buffer solution. Chiral differences in the UV absorption and fluorescence spectra of lipase with dichlorprop were detected. (R)-Dichlorprop interacted the strongest with lipase as measured by both UV absorption and fluorescence spectrophotometry, followed by (Rac)-dichlorprop, while (S)-dichlorprop had the weakest interaction. The hydrophobic interaction seem to play the dominant role in the interactions and the (R)-enantiomer needed the minimum put of energy to drive the endothermic reaction, while the Rac-type and S-type compounds needed more for the reaction to take place. In the meantime, the catalytic hydrolysis of FDA with lipase show that (R)-DCPP could inhibit lipase the most strongly relatively at the same condition, perhaps because (R)-DCPP had a stronger combining effect and high enantiomeric selectivity on lipase than (Rac)-DCPP and (S)-DCPP. PMID:18570309

  12. Chirally selective, intramolecular interaction observed in an aminoacyl adenylate anhydride

    NASA Astrophysics Data System (ADS)

    Lacey, James C.; Hall, Leo M.; Mullins, Dail W.; Watkins, Charles L.

    1985-06-01

    All earthly creatures use only L-amino acids in template directed protein synthesis. The reason for this exclusive use of the L-isomer is not yet apparent, although recent experiments by Usher and his colleagues have shown some stereoselctivity in the aminoacylation of di- and polynucleotides [1 3]. We have separately reported on intramolecular interactions between hydrophobic amino acid side chains and the adenine ring in aminoacyl adenylates [4]. There was a preferential association of Phe > Leu = Ile > Val with the adenine in these studies, but we made no attempts to address the question of D, L selectivity. Recently, in1H NMR studies of N-acetylphenylalanyl adenylate anhydride, we noticed evidence that both D- and L-isomers of the amino acid were present and, furthermore, that one isomer seemed to be associating with the adenine ring more strongly than the other. Using HPLC, we have separated the two diastereoisomers and have enzymatically determined that the isomer which associates more strongly is the biologically important one, the L-isomer. We present those studies here and discuss the evolutionary significance of this finding.

  13. Stereoselectivity of chiral drug transport: a focus on enantiomer-transporter interaction.

    PubMed

    Zhou, Quan; Yu, Lu-Shan; Zeng, Su

    2014-08-01

    Drug transporters and drug metabolism enzymes govern drug absorption, distribution, metabolism and elimination. Many literature works presenting important aspects related to stereochemistry of drug metabolism are available. However, there is very little literature on stereoselectivity of chiral drug transport and enantiomer-transporter interaction. In recent years, the experimental research within this field showed good momentum. Herein, an up-to-date review on this topic was presented. Breast Cancer Resistance Protein (BCRP), Multidrug Resistance Proteins (MRP), P-glycoprotein (P-gp), Organic Anion Transporters (OATs), Organic Anion Transporting Polypeptides (OATPs), Organic Cation Transporters (OCTs), Peptide Transport Proteins (PepTs), Human Proton-Coupled Folate Transporter (PCFT) and Multidrug and Toxic Extrusion Proteins (MATEs), have been reported to exhibit either positive or negative enantio-selective substrate recognition. The approaches utilized to study chirality in enantiomer-transporter interaction include inhibition experiments of specific transporters in cell models (e.g. Caco-2 cells), transport study using drug resistance cell lines or transgenic cell lines expressing transporters in wild type or variant, the use of transporter knockout mice, pharmacokinetics association of single nucleotide polymorphism in transporters, pharmacokinetic interaction study of racemate in the presence of specific transporter inhibitor or inducer, molecule cellular membrane affinity chromatography and pharmacophore modeling. Enantiomer-enantiomer interactions exist in chiral transport. The strength and/or enantiomeric preference of stereoselectivity may be species or tissue-specific, concentration-dependent and transporter family member-dependent. Modulation of specific drug transporter by pure enantiomers might exhibit opposite stereoselectivity. Further studies with integrated approaches will open up new horizons in stereochemistry of pharmacokinetics. PMID:24796860

  14. Exploring Enantiospecific Ligand-Protein Interactions Using Cellular Membrane Affinity Chromatography: Chiral Recognition as a Dynamic Process

    PubMed Central

    Jozwiak, Krzysztof; Moaddel, Ruin; Ravichandran, Sarangan; Plazinska, Anita; Kozak, Joanna; Patel, Sharvil; Yamaguchi, Rika; Wainer, Irving

    2008-01-01

    The chiral recognition mechanisms responsible for the enantioselective binding on the α3β4 nicotinic acetyl choline receptor (α3β4 nAChR) and human organic cation transporter 1 (hOCT1) have been reviewed. The results indicate that chiral recognition on the α3β4 nAChR is a process involving initial tethering of dextromethorphan and levomethorphan at hydrophobic pockets within the central lumen followed by hydrogen bonding interactions favoring dextromethorphan. The second step is the defining enantioselective step. Studies with the hOCT1 indentified four binding sites within the transporter that participated in chiral recognition. Each of the enantiomers of the compounds used in the study interacted with three of these sites, while (R)-verapamil interacted with all four. Chiral recognition arose from the conformational adjustments required to produce optimum interactions. With respect to the prevailing interaction-based models, the data suggest that chiral recognition is a dynamic process and that the static point-based models should be amended to reflect this. PMID:18723411

  15. Constraints on Neutron Star Radii Based on Chiral Effective Field Theory Interactions

    SciTech Connect

    Hebeler, K.; Lattimer, J. M.; Pethick, C. J.; Schwenk, A.

    2010-10-15

    We show that microscopic calculations based on chiral effective field theory interactions constrain the properties of neutron-rich matter below nuclear densities to a much higher degree than is reflected in commonly used equations of state. Combined with observed neutron star masses, our results lead to a radius R=9.7-13.9 km for a 1.4M{sub {center_dot}} star, where the theoretical range is due, in about equal amounts, to uncertainties in many-body forces and to the extrapolation to high densities.

  16. Chiral phase from three-spin interactions in an optical lattice

    SciTech Connect

    D'Cruz, Christian; Pachos, Jiannis K.

    2005-10-15

    A spin-1/2 chain model that includes three-spin interactions can effectively describe the dynamics of two species of bosons trapped in an optical lattice with a triangular-ladder configuration. A perturbative theoretical approach and numerical study of its ground state is performed that reveals a rich variety of phases and criticalities. We identify phases with periodicity one, two, or three, as well as critical points that belong in the same universality class as the Ising or the three-state Potts model. We establish a range of parameters, corresponding to a large degeneracy present between phases with period 2 and 3, that nests a gapless incommensurate chiral phase.

  17. Nuclear matter saturation with chiral three-nucleon interactions fitted to light nuclei properties

    NASA Astrophysics Data System (ADS)

    Logoteta, Domenico; Bombaci, Ignazio; Kievsky, Alejandro

    2016-07-01

    The energy per particle of symmetric nuclear matter and pure neutron matter is calculated using the many-body Brueckner-Hartree-Fock approach and employing the Chiral Next-to-next-to-next-to leading order (N3LO) nucleon-nucleon (NN) potential, supplemented with various parametrizations of the Chiral Next-to-next-to leading order (N2LO) three-nucleon interaction. Such combination is able to reproduce several observables of the physics of light nuclei for suitable choices of the parameters entering in the three-nucleon interaction. We find that some of these parametrizations provide a satisfactory saturation point of symmetric nuclear matter and values of the symmetry energy and its slope parameter L in very good agreement with those extracted from various nuclear experimental data. Thus, our results represent a significant step toward a unified description of few- and many-body nuclear systems starting from two- and three-nucleon interactions based on the symmetries of QCD.

  18. Uncertainty quantification for proton-proton fusion in chiral effective field theory

    NASA Astrophysics Data System (ADS)

    Acharya, B.; Carlsson, B. D.; Ekström, A.; Forssén, C.; Platter, L.

    2016-09-01

    We compute the S-factor of the proton-proton (pp) fusion reaction using chiral effective field theory (χEFT) up to next-to-next-to-leading order (NNLO) and perform a rigorous uncertainty analysis of the results. We quantify the uncertainties due to (i) the computational method used to compute the pp cross section in momentum space, (ii) the statistical uncertainties in the low-energy coupling constants of χEFT, (iii) the systematic uncertainty due to the χEFT cutoff, and (iv) systematic variations in the database used to calibrate the nucleon-nucleon interaction. We also examine the robustness of the polynomial extrapolation procedure, which is commonly used to extract the threshold S-factor and its energy-derivatives. By performing a statistical analysis of the polynomial fit of the energy-dependent S-factor at several different energy intervals, we eliminate a systematic uncertainty that can arise from the choice of the fit interval in our calculations. In addition, we explore the statistical correlations between the S-factor and few-nucleon observables such as the binding energies and point-proton radii of 2,3H and 3He as well as the D-state probability and quadrupole moment of 2H, and the β-decay of 3H. We find that, with the state-of-the-art optimization of the nuclear Hamiltonian, the statistical uncertainty in the threshold S-factor cannot be reduced beyond 0.7%.

  19. Magnetic field instability in a neutron star driven by the electroweak electron-nucleon interaction versus the chiral magnetic effect

    NASA Astrophysics Data System (ADS)

    Dvornikov, Maxim; Semikoz, Victor B.

    2015-03-01

    We show that the Standard Model electroweak interaction of ultrarelativistic electrons with nucleons (the e N interaction) in a neutron star (NS) permeated by a seed large-scale helical magnetic field provides its growth up to ≳1 015 G during a time comparable with the ages of young magnetars ˜1 04 yr . The magnetic field instability originates from the parity violation in the e N interaction entering the generalized Dirac equation for right and left massless electrons in an external uniform magnetic field. We calculate the average electric current given by the solution of the modified Dirac equation containing an extra current for right and left electrons (positrons), which turns out to be directed along the magnetic field. Such a current includes both a changing chiral imbalance of electrons and the e N potential given by a constant neutron density in a NS. Then we derive the system of the kinetic equations for the chiral imbalance and the magnetic helicity which accounts for the e N interaction. By solving this system, we show that a sizable chiral imbalance arising in a neutron protostar due to the Urca process eL-+p →N +νeL diminishes very rapidly because of a huge chirality-flip rate. Thus the e N term prevails over the chiral effect, providing a huge growth of the magnetic helicity and the helical magnetic field.

  20. Enhanced Flight Termination System (EFTS): Flight Demonstration and Results

    NASA Technical Reports Server (NTRS)

    Tow, David; Arce, Dennis

    2008-01-01

    The Enhanced Flight Termination System (EFTS) program was initiated and propelled due to the inadvertent terminations of Global Hawk and the Strategic Target System and the NASA Inspector General's assessment letter and recommendations regarding the exploration of low-cost, lightweight space COMSEC for FTS. Additionally, the standard analog and high alphabet systems most commonly used in FTS are secure, but not encrypted. A study group was initiated to select and document a robust, affordable, reliable technology that provides encrypted FTS capability. A flight demonstration was conducted to gain experience using EFTS in an operational environment, provide confidence in the use of the EFTS components, integrate EFTS into an existing range infrastructure to demonstrate the scalability of system components, to provide a command controller that generated the EFTS waveform using an existing range infrastructure, and to provide a report documenting the results of the demonstration. The primary goal of the demonstration was to obtain operational experience with EFTS. Areas of operational experience include: mission planning, pre-flight configuration and testing, mission monitoring and recording, vehicle termination, developing mission procedures. and post mission data reduction and other post mission activities. An Advanced Medium-Range Air-to-Air Missile (AMRAAM) was selected to support the EFTS demonstration due to interest in future use of EFTS by the AMRAAM program, familiarity of EFTS by range personnel, and the availability of existing operational environment to support EFTS testing with available program funding. For demonstration purposes, the AMRAAM was successfully terminated using an EFTS receiver and successfully demonstrating EFTS. The EFTS monitoring software with spectrum analyzer and digital graphical display of aircraft, missile, and target were also demonstrated.

  1. Thermodynamics of lattice QCD with massless quarks and chiral 4-fermion interactions.

    SciTech Connect

    Kogut, J. B.

    1998-10-30

    N{sub f} = 2 lattice QCD with massless quarks and a weak 4-fermion interaction appears to have the expected second order transition, at least for N{sub t} {ge} 6. More work is needed to clarify the N{sub t} = 4 case. With more statistics the N{sub t} = 6 simulations should produce an accurate determination of the critical exponent {beta}{sub m}. Moving to finite mass at {beta} = {beta}{sub c} should allow an accurate determination of {sigma}. Hadronic screening masses need further analysis. Other order parameters remain to be analyzed. Unfortunately, there is no obvious way to include 4-fermion interactions with full SU(2) x SU(2) chiral flavor symmetry.

  2. Dynamical Casimir-Polder interaction between a chiral molecule and a surface

    NASA Astrophysics Data System (ADS)

    Barcellona, Pablo; Passante, Roberto; Rizzuto, Lucia; Buhmann, Stefan Yoshi

    2016-03-01

    We develop a dynamical approach to study the Casimir-Polder force between an initially bare molecule and a magnetodielectric body at finite temperature, valid for arbitrary magnetodielectric properties and also in the presence of chiral effects. Switching on the interaction between the molecule and the field at a particular time, we study the resulting temporal evolution of the Casimir-Polder interaction. The dynamical self-dressing of the molecule and its population-induced dynamics are accounted for and discussed. In particular, we find that the Casimir-Polder force between a molecule and a surface oscillates in time with a frequency related to the molecular transition frequency. We verify that the dynamical force converges to the static result for time much larger than the inverse of the transition frequency, and it is particularly strong around the back-reaction time t =2 d /c , the time needed for the molecule to emit and reabsorb a photon reflected by the surface.

  3. EFT-1 Heatshield Aerothermal Environment Reconstruction

    NASA Technical Reports Server (NTRS)

    Oliver, A. Brandon; Amar, Adam J.; Droba, Justin; Lessard, Victor; Mahzari, Milad

    2016-01-01

    The EFT-1 Avcoat heatshield was instrumented with 34 plugs containing multiple thermocouples in-depth with an objective being to measure the flight aerothermal environment. This paper presents a discussion of the instrumentation and the techniques used to reconstruct the heating environment from the measured in-depth temperatures. The inverse heat transfer problem algorithms, models and assumptions will be outlined, and available results will be presented.

  4. Dynamical breakdown of Abelian gauge chiral symmetry by strong Yukawa interactions

    SciTech Connect

    Benes, Petr; Brauner, Tomas; Hosek, Jiri

    2007-03-01

    We consider a model with anomaly-free Abelian gauge axial-vector symmetry, which is intended to mimic the standard electroweak gauge chiral SU(2){sub L}xU(1){sub Y} theory. Within this model we demonstrate: (1) Strong Yukawa interactions between massless fermion fields and a massive scalar field carrying the axial charge generate dynamically the fermion and boson proper self-energies, which are ultraviolet-finite and chirally noninvariant. (2) Solutions of the underlying Schwinger-Dyson equations found numerically exhibit a huge amplification of the fermion mass ratios as a response to mild changes of the ratios of the Yukawa couplings. (3) The 'would-be' Nambu-Goldstone boson is a composite of both the fermion and scalar fields, and it gives rise to the mass of the axial-vector gauge boson. (4) Spontaneous breakdown of the gauge symmetry further manifests by mass splitting of the complex scalar and by new symmetry-breaking vertices, generated at one loop. In particular, we work out in detail the cubic vertex of the Abelian gauge boson.

  5. Nuclear-matter equation of state with consistent two- and three-body perturbative chiral interactions

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Holt, J. W.; Itaco, N.; Machleidt, R.; Marcucci, L. E.; Sammarruca, F.

    2014-04-01

    We compute the energy per particle of infinite symmetric nuclear matter from chiral NLO3 (next-to-next-to-next-to-leading order) two-body potentials plus NLO2 three-body forces. The low-energy constants of the chiral three-nucleon force that cannot be constrained by two-body observables are fitted to reproduce the triton binding energy and the H3-He3 Gamow-Teller transition matrix element. In this way, the saturation properties of nuclear matter are reproduced in a parameter-free approach. The equation of state is computed up to third order in many-body perturbation theory, with special emphasis on the role of the third-order particle-hole diagram. The dependence of these results on the cutoff scale and regulator function is studied. We find that the inclusion of three-nucleon forces consistent with the applied two-nucleon interaction leads to a reduced dependence on the choice of the regulator only for lower values of the cutoff.

  6. Electromagnetic Currents and Magnetic Moments in $\\chi$EFT

    SciTech Connect

    Saori Pastore, Luca Girlanda, Rocco Schiavilla, Michele Viviani, Robert Wiringa

    2009-09-01

    A two-nucleon potential and consistent electromagnetic currents are derived in chiral effective field theory ($\\chi$EFT) at, respectively, $Q^{\\, 2}$ (or N$^2$LO) and $e\\, Q$ (or N$^3$LO), where $Q$ generically denotes the low-momentum scale and $e$ is the electric charge. Dimensional regularization is used to renormalize the pion-loop corrections. A simple expression is derived for the magnetic dipole ($M1$) operator associated with pion loops, consisting of two terms, one of which is determined, uniquely, by the isospin-dependent part of the two-pion-exchange potential. This decomposition is also carried out for the $M1$ operator arising from contact currents, in which the unique term is determined by the contact potential. Finally, the low-energy constants (LEC's) entering the N$^2$LO potential are fixed by fits to the $np$ S- and P-wave phase shifts up to 100 MeV lab energies. Three additional LEC's are needed to completely specify the $M1$ operator at N$^3$L

  7. A = 10 nuclei and 12C with SRG evolved chiral three-nucleon interactions

    NASA Astrophysics Data System (ADS)

    Maris, Pieter; Vary, James; Calci, Angelo; Langhammer, Joachim; Binder, Sven; Roth, Robert

    2014-09-01

    We investigate selected static and transition properties of A = 10 nuclei and 12C using ab initio No-Core Shell Model (NCSM) methods with chiral two- and SRG-evolved three-nucleon interactions. We examine the dependences of observables on the SRG evolution scale and on the model-space parameters. We obtain nearly converged low-lying excitation spectra for 12C. We compare results of the full NCSM with the Importance Truncated NCSM in large model spaces for benchmarking purposes in 12C. The agreement of some observables with experiment is improved significantly by the inclusion of 3N interactions, e.g., the B(M1) from the first (Jπ , T) = (1+ , 1) state to the ground state of 12C. However, in some cases the agreement deteriorates, e.g., for the excitation energy of the first (1+ , 0) state, leaving room for improved next-generation chiral Hamiltonians. On the other hand, the excitation energies of 10C, 10B, and 10Be are not as well converged as those of 12C. In particular the lowest two (1+ , 0) states of 10B are sensitive to both the basis truncation parameters and the 3N interaction. We investigate selected static and transition properties of A = 10 nuclei and 12C using ab initio No-Core Shell Model (NCSM) methods with chiral two- and SRG-evolved three-nucleon interactions. We examine the dependences of observables on the SRG evolution scale and on the model-space parameters. We obtain nearly converged low-lying excitation spectra for 12C. We compare results of the full NCSM with the Importance Truncated NCSM in large model spaces for benchmarking purposes in 12C. The agreement of some observables with experiment is improved significantly by the inclusion of 3N interactions, e.g., the B(M1) from the first (Jπ , T) = (1+ , 1) state to the ground state of 12C. However, in some cases the agreement deteriorates, e.g., for the excitation energy of the first (1+ , 0) state, leaving room for improved next-generation chiral Hamiltonians. On the other hand, the excitation

  8. Intershell Interaction in a Double Wall Carbon Nanotube with Determined Chiral Indices under a Torsional Strain

    NASA Astrophysics Data System (ADS)

    Lin, Letian; Cui, Taoran; Washburn, Sean; Qin, Lu-Chang

    2011-03-01

    We have used a double wall carbon nanotube to build a torsional pendulum. The nanotube worked as a torsional bearing for a metal block. An external electric field was used to rotate the metal block to cause a fully elastic torsional deformation on the nanotube. Nano-beam electron diffraction patterns were taken before and while the nanotube was twisted. By analysis of the shift of the diffraction patterns, we were able to determine the nanotube chiral indices and measure the inner-shell torisonal responses to the torsional stress applied on the outer-shell. The inter-shell interactions and nanotube shear modulus were also calculated and discussed in connection to the theoretical estimations.

  9. Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.

    PubMed

    Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi

    2016-03-01

    Hexaarylbenzenes (HABs) have greatly attracted much attention due to their unique propeller-shaped structure and potential application in materials science, such as liquid crystals, molecular capsules/rotors, redox materials, nonlinear optical materials, as well as molecular wires. Less attention has however been paid to their propeller chirality. By introducing small point-chiral group(s) at the periphery of HABs, propeller chirality was effectively induced, provoking strong Cotton effects in the circular dichroism (CD) spectrum. Temperature and solvent polarity manipulate the dynamics of propeller inversion in solution. As such, whizzing toroids become more substantial in polar solvents and at an elevated temperature, where radial aromatic rings (propeller blades) prefer orthogonal alignment against the central benzene ring (C6 core), maximizing toroidal interactions. PMID:26882341

  10. Chirality of Viral Capsids

    NASA Astrophysics Data System (ADS)

    Dharmavaram, Sanjay; Xie, Fangming; Bruinsma, Robijn; Klug, William; Rudnick, Joseph

    Most icosahedral viruses are classified by their T-number which identifies their capsid in terms of the number of capsomers and their relative arrangement. Certain T-numbers (T = 7 for instance) are inherently chiral (with no reflection planes) while others (e.g. T = 1) are achiral. We present a Landau-Brazovskii (LB) theory for weak crystallization in which a scalar order parameter that measures density of capsid proteins successfully predicts the various observed T-numbers and their respective chiralities. We find that chiral capsids gain stability by spontaneously breaking symmetry from an unstable chiral state. The inherently achiral LB-free energy does not preferentially select a particular chiral state from its mirror reflection. Based on the physical observation that proteins are inherently chiral molecules with directional interactions, we propose a new chiral term to the LB energy as a possible selection mechanism for chirality.

  11. Chiral Effective Field Theory in the $\\Delta$-resonance region

    SciTech Connect

    Vladimir Pascalutsa

    2006-09-18

    I discuss the problem of constructing an effective low-energy theory in the vicinity of a resonance or a bound state. The focus is on the example of the $\\Delta(1232)$, the lightest resonance in the nucleon sector. Recent developments of the chiral effective-field theory in the $\\Delta$-resonance region are briefly reviewed. I conclude with a comment on the merits of the manifestly covariant formulation of chiral EFT in the baryon sector.

  12. Spectroscopic investigations of the chiral interactions of metolachlor and its (S)-isomer with lipase and phosphatase.

    PubMed

    Wen, Yue Z; Yuan, Yu L; Chen, Hui; Wang, He L; Liu, Hui J; Kang, Xiao D; Fu, Liu S

    2010-04-01

    Metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl) acetamide] is a chiral acetanilide herbicide. We investigated its enantioselective interactions, and that of its (S)-isomer, with Penicillium expansum alkaline lipase and phosphatase. UV differential spectroscopy and fluorescence spectrophotometry studies were conducted in phosphate buffered solution at pH 7. Chiral differences in the UV absorption and fluorescence spectra of lipase and phosphatase with metolachlor and its (S)-isomer were detected. The results showed that the interactions of metolachlor and its (S)-isomer with lipase and phosphatase occur statically through complex formation, and enantioselectivity was clearly observed. In addition, both UV absorption and fluorescence spectrophotometry showed that the (S)-isomer interacted more strongly with lipase and phosphatase than metolachlor. PMID:20390958

  13. The Ξ* and Ωη Interaction Within a Chiral Unitary Approach

    NASA Astrophysics Data System (ADS)

    Si-Qi, Xu; Ju-Jun, Xie; Xu-Rong, Chen; Duo-Jie, Jia

    2016-01-01

    In this work we study the interaction of the coupled channels Ωη and {\\Xi}\\ast\\bar{K} within the chiral unitary approach. The systems under consideration have total isospins 0, strangeness S = -3, and spin 3/2. We study the s wave interaction which implies that the possible resonances generated in the system can have spin-parity JP = 3/2-. The unitary amplitudes in coupled channels develop poles that can be associated with some known baryonic resonances. We find there is a dynamically generated 3/2- Ω state with mass around 1800 MeV, which is in agreement with the predictions of the five-quark model. Supported by the National Basic Research Program (973 Program Grant No. 2014CB845406), and the National Natural Science Foundation of China under Grant Nos. 11475227, 11265014, and the Open Project Program of State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, China No. Y5KF151CJ1

  14. Chiral effective field theory analysis of hadronic parity violation in few-nucleon systems

    SciTech Connect

    Viviani, Michele; Baroni, Alessandro; Girlanda, Luca; Kievsky, Alejandro; Marcucci, Laura E.; Schiavilla, Rocco

    2014-06-01

    Background: Weak interactions between quarks induce a parity-violating (PV) component in the nucleonnucleon potential, whose effects are currently being studied in a number of experiments involving few-nucleon systems. In the present work, we reconsider the derivation of this PV component within a chiral effective field theory (chiEFT) framework. Purpose: The objectives of the present work are twofold. The first is to perform a detailed analysis of the PV nucleon-nucleon potential up to next-to-next-to-leading (N2LO) order in the chiral expansion, in particular, by determining the number of independent low-energy constants (LECs) at N2LO. The second objective is to investigate PV effects in a number of few-nucleon observables, including the p-p longitudinal asymmetry, the neutron spin rotation in n-p and n-d scattering, and the longitudinal asymmetry in the {sup 3}He( {vector n},p){sup 3}H chargeexchange reaction. Methods: The chiEFT PV potential includes one-pion-exchange, two-pion-exchange, and contact terms as well as 1/M (M being the nucleon mass) nonstatic corrections. Dimensional regularization is used to renormalize pion loops. The wave functions for the A = 2–-4 nuclei are obtained by using strong two- and three-body potentials also derived, for consistency, from chiEFT. In the case of the A = 3–-4 systems, the wave functions are computed by expanding on a hyperspherical harmonics functions basis. Results: We find that the PV potential at N2LO depends on six LECs: the pion-nucleon PV coupling constant h^1_pi and five parameters multiplying contact interactions. An estimate for the range of values of the various LECs is provided by using available experimental data, and these values are used to obtain predictions for the other PV observables. Conclusions: The chiEFT approach provides a very satisfactory framework to analyze PV effects in few-nucleon systems.

  15. All-optical and electro-optical switches based on the interaction with disclination lines in chiral nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Laudyn, U. A.; Kwasny, M.; Sala, F. A.; Karpierz, M. A.

    2016-05-01

    We outline the main features of spatial solitons called nematicons in chiral nematic liquid crystal confined in a wedge cell. We focus on electro-optic readdressing via the interaction with the disclination line to obtain highly steerable beam propagation. Nematicons can be effectively deviated by using the electro-optics response of the medium leading to voltage-control reconfiguration of light-induced guided-wave circuits and signal readdressing.

  16. Pseudomonas aeruginosa EftM Is a Thermoregulated Methyltransferase.

    PubMed

    Owings, Joshua P; Kuiper, Emily G; Prezioso, Samantha M; Meisner, Jeffrey; Varga, John J; Zelinskaya, Natalia; Dammer, Eric B; Duong, Duc M; Seyfried, Nicholas T; Albertí, Sebastián; Conn, Graeme L; Goldberg, Joanna B

    2016-02-12

    Pseudomonas aeruginosa is a Gram-negative opportunistic pathogen that trimethylates elongation factor-thermo-unstable (EF-Tu) on lysine 5. Lysine 5 methylation occurs in a temperature-dependent manner and is generally only seen when P. aeruginosa is grown at temperatures close to ambient (25 °C) but not at higher temperatures (37 °C). We have previously identified the gene, eftM (for EF-Tu-modifying enzyme), responsible for this modification and shown its activity to be associated with increased bacterial adhesion to and invasion of respiratory epithelial cells. Bioinformatic analyses predicted EftM to be a Class I S-adenosyl-l-methionine (SAM)-dependent methyltransferase. An in vitro methyltransferase assay was employed to show that, in the presence of SAM, EftM directly trimethylates EF-Tu. A natural variant of EftM, with a glycine to arginine substitution at position 50 in the predicted SAM-binding domain, lacks both SAM binding and enzyme activity. Mass spectrometry analysis of the in vitro methyltransferase reaction products revealed that EftM exclusively methylates at lysine 5 of EF-Tu in a distributive manner. Consistent with the in vivo temperature dependence of methylation of EF-Tu, preincubation of EftM at 37 °C abolished methyltransferase activity, whereas this activity was retained when EftM was preincubated at 25 °C. Irreversible protein unfolding at 37 °C was observed, and we propose that this instability is the molecular basis for the temperature dependence of EftM activity. Collectively, our results show that EftM is a thermolabile, SAM-dependent methyltransferase that directly trimethylates lysine 5 of EF-Tu in P. aeruginosa. PMID:26677219

  17. G-Quadruplex binding enantiomers show chiral selective interactions with human telomere

    PubMed Central

    Wang, Jiasi; Chen, Yong; Ren, Jinsong; Zhao, Chuanqi; Qu, Xiaogang

    2014-01-01

    Chiral recognition of DNA molecules is important because DNA chiral transition and its different conformations are involved in a series of important life events. Among them, polymorphic human telomere DNA has attracted great interests in recent years because of its important roles in chromosome structural integrity. In this report, we examine the short-term effect of chiral metallo-supramolecular complex enantiomers treatment on tumor cells, and find that a zinc-finger-like alpha helical chiral metallo-supramolecular complex, [Ni2L3]4+-P enantiomer (NiP), can selectively provoke the rapid telomere uncapping, trigger DNA damage responses at telomere and degradation of G-overhang and the delocalization of telomeric protein from telomeres. Further studies indicate that NiP can induce an acute cellular apoptosis and senescence in cancer cells rather than normal cells. These results are further evidenced by the upregulation of p21 and p16 proteins. Moreover, NiP can cause translocation of hTERT from nuclear to cytoplasm through Tyr 707 phosphorylation. While its enantiomer, [Ni2L3]4+-M (NiM), has no such mentioned effects, these results clearly demonstrate the compound’s chiral selectivity in cancer cells. Our work will shed light on design of chiral anticancer drugs targeting G-quadruplex DNA, and developing telomere and telomerase modulation agents. PMID:24413564

  18. Interplay between interaction and chiral anomaly: Anisotropy in the electrical resistivity of interacting Weyl metals

    NASA Astrophysics Data System (ADS)

    Jho, Yong-Soo; Kim, Ki-Seok

    2013-05-01

    We predict that long-range interactions give rise to anisotropy in the electrical resistivity of Weyl metals at low temperatures, where the electrical resistivity becomes much reduced when electric fields are applied to the direction of the momentum vector to connect two paired Weyl points. Performing the renormalization group analysis, we find that the distance between two Weyl points becomes enhanced logarithmically at low temperatures although the coupling constant of such interactions vanishes inverse-logarithmically. Considering the Adler-Bell-Jackiw anomaly, scattering between these two Weyl points becomes suppressed to increase electrical conductivity in the “longitudinal” direction, counter intuitive in the respect that interactions are expected to reduce metallicity. We also propose that the anomalous contribution in the Hall effect shows the logarithmic enhancement as a function of temperature, originating from the fact that the anomalous Hall coefficient turns out to be proportional to the distance between two paired Weyl points. Correlations with topological constraints allow unexpected and exotic transport properties.

  19. Three-Nucleon Low-Energy Constants from the Consistency of Interactions and Currents in Chiral Effective Field Theory

    SciTech Connect

    Gazit, Doron; Quaglioni, Sofia; Navratil, Petr

    2009-09-04

    The chiral low-energy constants c{sub D} and c{sub E} are constrained by means of accurate ab initio calculations of the A=3 binding energies and, for the first time, of the triton {beta} decay. We demonstrate that these low-energy observables allow a robust determination of the two undetermined constants, a result of the surprising fact that the determination of c{sub D} depends weakly on the short-range correlations in the wave functions. These two- plus three-nucleon interactions, originating in chiral effective field theory and constrained by properties of the A=2 system and the present determination of c{sub D} and c{sub E}, are successful in predicting properties of the A=3 and 4 systems.

  20. Advanced Command Destruct System (ACDS) Enhanced Flight Termination System (EFTS)

    NASA Technical Reports Server (NTRS)

    Tow, David K.

    2011-01-01

    This presentation provides information on the development, integration, and operational usage of the Enhanced Flight Termination System (EFTS) at NASA Dryden Flight Research Center and Air Force Flight Test Center. The presentation will describe the efforts completed to certify the system and acquire approval for operational usage, the efforts to integrate the system into the NASA Dryden existing flight termination infrastructure, and the operational support of aircraft with EFTS at Edwards AFB.

  1. Combined analysis of ferromagnetic materials using the Heisenberg Green functions and Ising EFT methods

    NASA Astrophysics Data System (ADS)

    Moujaes, Elie A.; Khater, A.; Abou Ghantous, M.

    2015-10-01

    Ferromagnetic phase diagrams were, for a long time, unsuccessfully determined theoretically, despite the important Callen's 1963 [21] theoretical model. A great variety of experimental data for the magnetization over the entire range of temperature defining the ordered phase compared well with an empirical formula recently determined by Kuz'min (2005) [22]. Nonetheless, the Ising effective field theory (EFT), which can be of enormous support to both methods, was never given attention. The present work intends to show how the Ising EFT technique, when combined with the Green functions in Callen's work, is able to reconcile theoretical work with experimental data. The ratio kTc / JZS(S + 1) plays an important role in finding values for the exchange parameter J, whose first-principles calculation, often depending on the package used, is not properly done. J can be determined for a variety of ferromagnetic materials represented by general spin systems S with a number of nearest neighbours Z and critical temperature Tc, even for models including a percolative feature, characteristic of diluted interactive systems. We demonstrate that EFT is capable of estimating a value of J, which can substitute the use of more complex theoretical models or the performance of ab initio/DFT calculations.

  2. Strong superchiral field in hot spots and its interaction with chiral molecules

    NASA Astrophysics Data System (ADS)

    Liu, Yineng

    We have found that strong superchiral fields created by surface plasmon resonance exist in hot spots of nonchiral plasmonic structure, which showed a chiral density greater than that of circularly polarized light by hundreds of times. We have demonstrated a direct correlation between the chirality of the local field and the circular dichroism (CD) response at the plasmon resonance bands induced by chiral molecules in the hot spots. Our results reveal that the wavelength-dependent superchiral fields in the hot spots can play a crucial role in the determination of the plasmonic CD effect. This finding is in contrast to the currently accepted physical model in which the electromagnetic field intensity in hot spots is a key factor to determine the peak intensity of the plasmonic CD spectrum. Some related experimental phenomena have been explained by using our theoretical analysis. The work was supported by the China National Natural Science Foundation (Grant No. 11504306).

  3. Chiral Nanostructures from Helical Copolymer-Metal Complexes: Tunable Cation-π Interactions and Sergeants and Soldiers Effect.

    PubMed

    Arias, Sandra; Bergueiro, Julián; Freire, Félix; Quiñoá, Emilio; Riguera, Ricardo

    2016-01-13

    Poly(phenylacetylene) (PPA) copolymers containing (R)- or (S)-MPA as minor chiral pendant can be forced to selectively adopt the right- o left-handed helix, in the presence of small amounts of Na(+) or Ag(+) ("Sergeants and Soldiers Effect") by addition of a donor cosolvent. The helical sense depends exclusively on the chiral monomer/donor cosolvent ratio, and this allows a perfect on/off tuning of the helicity of the copolymer. When the amount of the donor cosolvent is low, the metal ion complex is stabilized by a cation-π interaction, which is selectively cleaved when the amount of cosolvent is higher. Macroscopically chiral nanospheres and nanotubes composed by helical copolymers with P or M helical sense are also described. Our results demonstrate that it is possible to obtain the two enantiomeric helical structures (P and M helicities) and the corresponding nanospheres and nanotubes from a single helical copolymer, by controlled activation/deactivation of the Sergeant and Soldiers Effect with a donor cosolvent. PMID:26578292

  4. Chiral symmetry and chiral-symmetry breaking

    SciTech Connect

    Peskin, M.E.

    1982-12-01

    These lectures concern the dynamics of fermions in strong interaction with gauge fields. Systems of fermions coupled by gauge forces have a very rich structure of global symmetries, which are called chiral symmetries. These lectures will focus on the realization of chiral symmetries and the causes and consequences of thier spontaneous breaking. A brief introduction to the basic formalism and concepts of chiral symmetry breaking is given, then some explicit calculations of chiral symmetry breaking in gauge theories are given, treating first parity-invariant and then chiral models. These calculations are meant to be illustrative rather than accurate; they make use of unjustified mathematical approximations which serve to make the physics more clear. Some formal constraints on chiral symmetry breaking are discussed which illuminate and extend the results of our more explicit analysis. Finally, a brief review of the phenomenological theory of chiral symmetry breaking is presented, and some applications of this theory to problems in weak-interaction physics are discussed. (WHK)

  5. Spontaneous chirality in simple systems

    PubMed

    Pickett; Gross; Okuyama

    2000-10-23

    Two simple examples of spontaneous chiral symmetry breaking are presented. The first is close-packed cylindrically confined spheres. As the cylinder diameter is varied, one obtains a variety of chiral phases. The second example involves unconfined dipolar particles with an isotropic attraction, which also exhibits chiral ground states. We speculate that a dilute magnetorheological fluid film, with the addition of smaller particles to provide an attractive entropic interaction, will exhibit a chiral columnar ground state. PMID:11030973

  6. Incoherent neutrinoproduction of photons and pions in a chiral effective field theory for nuclei

    NASA Astrophysics Data System (ADS)

    Zhang, Xilin; Serot, Brian D.

    2012-09-01

    We study the incoherent neutrinoproduction of photons and pions with neutrino energy Eν⩽0.5GeV. These processes are relevant to the background analysis in neutrino-oscillation experiments [for example, MiniBooNE; A. A. Aquilar-Arevalo (MiniBooNE Collaboration), Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.032301 100, 032301 (2008)]. The calculations are carried out using a Lorentz-covariant effective field theory (EFT), which contains nucleons, pions, the Delta (1232) (Δ), isoscalar scalar (σ) and vector (ω) fields, and isovector vector (ρ) fields, and has SU(2)L⊗SU(2)R chiral symmetry realized nonlinearly. The contributions of one-body currents are studied in the local Fermi gas approximation. The current form factors are generated by meson dominance in the EFT Lagrangian. The conservation of the vector current and the partial conservation of the axial current are satisfied automatically, which is crucial for photon production. The Δ dynamics in nuclei, as a key component in the study, is explored. Introduced Δ-meson couplings explain the Δ spin-orbit coupling in nuclei, and this leads to interesting constraints on the theory. Meanwhile, a phenomenological approach is applied to parametrize the Δ width. To benchmark our approximations, we calculate the differential cross sections for quasielastic scattering and incoherent electroproduction of pions without a final-state interaction (FSI). The FSI can be ignored for photon production.

  7. Chiral streamers

    SciTech Connect

    Zou, Dandan; Cao, Xin; Lu, Xinpei; Ostrikov, Kostya

    2015-10-15

    The interaction of time-varying electromagnetic fields and solid, liquid, and gaseous matter may lead to electrical breakdown phenomena through the excitation of ionization waves or streamers that control the dynamics of localized plasma propagation through the media. The streamers usually propagate along straight lines, either between random points in space or along a certain direction in a guided mode. Here, we report on a new type of plasma discharges with the regular helical propagation pattern driven by a pulsed dc voltage in nitrogen at sub-atmospheric-pressure conditions. The helical guided streamers, named chiral streamers or chi-streamers, are excited without any external magnetic fields, which commonly cause helical plasma motions. We also demonstrate a hybrid propagation mode involving the interchangeable chiral streamers and the straight-line propagating plasmas. High-speed, time-resolved optical imaging reveals that the chiral streamers and the hybrid patterns are made of spatially localized discrete plasma bullets, similar to the straight-line guided streamers. These results may enable effective control of propagation of confined plasmas and electromagnetic energy along pre-determined, potentially deterministic paths, which have important implications for the development of next-generation plasma-based radiation sources, communication devices, and medical treatments.

  8. Chiral streamers

    NASA Astrophysics Data System (ADS)

    Zou, Dandan; Cao, Xin; Lu, Xinpei; Ostrikov, Kostya Ken

    2015-10-01

    The interaction of time-varying electromagnetic fields and solid, liquid, and gaseous matter may lead to electrical breakdown phenomena through the excitation of ionization waves or streamers that control the dynamics of localized plasma propagation through the media. The streamers usually propagate along straight lines, either between random points in space or along a certain direction in a guided mode. Here, we report on a new type of plasma discharges with the regular helical propagation pattern driven by a pulsed dc voltage in nitrogen at sub-atmospheric-pressure conditions. The helical guided streamers, named chiral streamers or chi-streamers, are excited without any external magnetic fields, which commonly cause helical plasma motions. We also demonstrate a hybrid propagation mode involving the interchangeable chiral streamers and the straight-line propagating plasmas. High-speed, time-resolved optical imaging reveals that the chiral streamers and the hybrid patterns are made of spatially localized discrete plasma bullets, similar to the straight-line guided streamers. These results may enable effective control of propagation of confined plasmas and electromagnetic energy along pre-determined, potentially deterministic paths, which have important implications for the development of next-generation plasma-based radiation sources, communication devices, and medical treatments.

  9. Electron-deuteron scattering based on the Chiral Effective Field Theory

    NASA Astrophysics Data System (ADS)

    Rozpȩdzik, Dagmara

    2014-06-01

    Based on the Chiral Effective Field Theory (ChEFT) dynamical picture of the two-pion exchange (TPE) contributions to the nuclear current operator which appear at higher order chiral expansions were considered. Their role in the electron-deuteron scattering reactions was studied and chiral predictions were compared with those obtained in the conventional framework. Results for cross section and various polarization observables are presented. The bound and scattering states were calculated with five different chiral nucleon-nucleon (NN) potentials which leads to the so-called theoretical uncertainty bands for the predicted results.

  10. 77 FR 71035 - Financial Management Service; Proposed Collection of Information: Electronic Funds Transfer (EFT...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-11-28

    ... Transfer (EFT) Market Research Study AGENCY: Financial Management Service, Fiscal Service, Treasury. ACTION... Financial Management Service solicits comments concerning the ``Electronic Funds Transfer (EFT) Market Research Study.'' DATES: Written comments should be received on or before January 28, 2013....

  11. The importance of attractive three-point interaction in enantioselective surface chemistry: stereospecific adsorption of serine on the intrinsically chiral Cu{531} surface.

    PubMed

    Eralp, Tugce; Ievins, Alex; Shavorskiy, Andrey; Jenkins, Stephen J; Held, Georg

    2012-06-13

    Both enantiomers of serine adsorb on the intrinsically chiral Cu{531} surface in two different adsorption geometries, depending on the coverage. At saturation, substrate bonds are formed through the two oxygen atoms of the carboxylate group and the amino group (μ3 coordination), whereas at lower coverage, an additional bond is formed through the deprotonated β-OH group (μ4 coordination). The latter adsorption geometry involves substrate bonds through three side groups of the chiral center, respectively, which leads to significantly larger enantiomeric differences in adsorption geometries and energies compared to the μ3 coordination, which involves only two side groups. This relatively simple model system demonstrates, in direct comparison, that attractive interactions of three side groups with the substrate are much more effective in inducing strong enantiomeric differences in heterogeneous chiral catalyst systems than hydrogen bonds or repulsive interactions. PMID:22582880

  12. Line Shifts in Rotational Spectra of Polyatomic Chiral Molecules Caused by the Parity Violating Electroweak Interaction

    NASA Astrophysics Data System (ADS)

    Stohner, J.; Quack, M.

    2009-06-01

    Are findings in high-energy physics of any importance in molecular spectroscopy ? The answer is clearly `yes'. Energies of enantiomers were considered as exactly equal in an achiral environment, e.g. the gas phase. Today, however, it is well known that this is not valid. The violation of mirror-image symmetry (suggested theoretically and confirmed experimentally in 1956/57) was established in the field of nuclear, high-energy, and atomic physics since then, and it is also the cause for a non-zero energy difference between enantiomers. We expect today that the violation of mirror-image symmetry (parity violation) influences chemistry of chiral molecules as well as their spectroscopy. Progress has been made in the quantitative theoretical prediction of possible spectroscopic signatures of molecular parity violation. The experimental confirmation of parity violation in chiral molecules is, however, still open. Theoretical studies are helpful for the planning and important for a detailed analysis of rovibrational and tunneling spectra of chiral molecules. We report results on frequency shifts in rotational, vibrational and tunneling spectra of some selected chiral molecules which are studied in our group. If time permits, we shall also discuss critically some recent claims of experimental observations of molecular parity violation in condensed phase systems. T. D. Lee, C. N. Yang, Phys. Rev., 104, 254 (1956) C. S. Wu, E. Ambler, R. W. Hayward, D. D. Hoppes, R. P. Hudson, Phys. Rev., 105, 1413 (1957) M. Quack, Angew. Chem. Intl. Ed., 28, 571 (1989) Angew. Chem. Intl. Ed., 41, 4618 (2002) M. Quack, J. Stohner, Chimia, 59, 530 (2005) M. Quack, J. Stohner, M. Willeke, Ann Rev. Phys. Chem. 59, 741 (2008) M. Quack, J. Stohner, Phys. Rev. Lett., 84, 3807 (2000) M. Quack, J. Stohner, J. Chem. Phys., 119, 11228 (2003) J. Stohner, Int. J. Mass Spectrometry 233, 385 (2004) M. Gottselig, M. Quack, J. Stohner, M. Willeke, Int. J. Mass Spectrometry 233, 373 (2004) R. Berger, G

  13. Interactions of vinca alkaloid subunits with chiral amido[4]resorcinarenes: a dynamic, kinetic, and spectroscopic study.

    PubMed

    Botta, Bruno; Fraschetti, Caterina; Novara, Francesca R; Tafi, Andrea; Sacco, Fabiola; Mannina, Luisa; Sobolev, Anatoli P; Mattay, Jochen; Letzel, Matthias C; Speranza, Maurizio

    2009-05-01

    The stereoselectivity of the reaction between (R)-(-)-2-butylamine and the diastereomeric proton-bound complexes of (+)-catharanthine (C) or (-)-vindoline (V) with some chiral amido[4]resorcinarenes has been investigated in the gas phase by ESI-FT-ICR-MS. The reaction stereoselectivity (0.56 < k(homo)/k(hetero) < 16.9) is found to depend critically on the functional groups present in the chiral pendants of the hosts. Rationalisation of the kinetic results is based on careful computational and spectroscopic studies of the most stable conformations of (+)-catharanthine and its protonated form in the isolated state and in water, as well as in a representative host structure. The emerging picture points to the relevant diastereomeric proton-bound complexes as quasi-degenerate, thus suggesting that their stereoselectivity in the guest exchange reaction is mostly due to kinetic factors. The results of this study may represent a starting point for a deeper comprehension of the intrinsic factors that endow these molecules, and their dimeric forms, with their biochemical properties. PMID:19590774

  14. Search for Asymmetric Interactions between Chiral Molecules and Spin-Polarized Electrons

    NASA Astrophysics Data System (ADS)

    Dreiling, Joan; Litaker, Eric; Gay, Timothy

    2013-05-01

    We present our preliminary asymmetry results for the transmission of longitudinally spin-polarized electrons through a vapor of chirally-pure bromocamphor (C10H15BrO) molecules. We define the asymmetry for transmission as A = [(I ↑-I ↓) /(I ↑ + I ↓) ]R- [(I ↑-I ↓) /(I ↑ + I ↓) ]L, where I ↑ (I ↓) is the transmitted current measured for spin-up (spin-down) electrons and the ``L'' and ``R'' subscripts correspond to the left- and right-handed chirality of the molecules. At present, we have measured A at 1.5 eV electron scattering energy to be 5.4(2.5)*10-5 when the transmitted, magnetically collimated electron beam is attenuated to 10% of its initial value, corresponding to a pressure of a few millitorr in a cell of length 2.54 cm. This should be compared with the measurements of Mayer et al., where they report an asymmetry (by our definition) of about 3.4(0.2)*10-4 for the same incident energy and electron beam attenuation. We discuss possible reasons for this discrepancy.

  15. New chiral fermions, a new gauge interaction, Dirac neutrinos, and dark matter

    NASA Astrophysics Data System (ADS)

    de Gouvêa, André; Hernández, Daniel

    2015-10-01

    We propose that all light fermionic degrees of freedom, including the Standard Model (SM) fermions and all possible light beyond-the-standard-model fields, are chiral with respect to some spontaneously broken abelian gauge symmetry. Hypercharge, for example, plays this role for the SM fermions. We introduce a new symmetry, U(1) ν , for all new light fermionic states. Anomaly cancellations mandate the existence of several new fermion fields with nontrivial U(1) ν charges. We develop a concrete model of this type, for which we show that (i) some fermions remain massless after U(1) ν breaking — similar to SM neutrinos — and (ii) accidental global symmetries translate into stable massive particles — similar to SM protons. These ingredients provide a solution to the dark matter and neutrino mass puzzles assuming one also postulates the existence of heavy degrees of freedom that act as "mediators" between the two sectors. The neutrino mass mechanism described here leads to parametrically small Dirac neutrino masses, and the model also requires the existence of at least four Dirac sterile neutrinos. Finally, we describe a general technique to write down chiral-fermions-only models that are at least anomaly-free under a U(1) gauge symmetry.

  16. HCFA proposal takes zip out of EFTs (electronic fund transfers).

    PubMed

    Gardner, E

    1991-09-01

    HCFA recently proposed reimbursing providers through electronic fund transfer, a low-cost, fast, efficient means of deposit and payment now commonplace throughout the country. EFTs promise hospitals benefits such as clerical savings through computerization, but regulations proposed by HCFA would inhibit the increased efficiency and cash flow such transactions also can offer. PMID:10112504

  17. 48 CFR 32.1109 - EFT information submitted by offerors.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false EFT information submitted by offerors. 32.1109 Section 32.1109 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION GENERAL CONTRACTING REQUIREMENTS CONTRACT FINANCING Electronic Funds Transfer 32.1109...

  18. Chirality-related interactions and a mirror symmetry violation in handed nano structures

    NASA Astrophysics Data System (ADS)

    Gabuda, S. P.; Kozlova, S. G.

    2014-07-01

    Hindering of inversion transitions and a violation of mirror symmetry of the right- and left-handed configurations of diazabizyclooctane (dabco, N2C6H12) enantiomers has been studied with low-temperature adiabatic calorimetry. The dabco molecules were sandwiched in a high-porous layered structure of a metal organic framework (MOF) compound. We show from the data of low-temperature adiabatic calorimetry and 1H NMR spin relaxation method that hindering of inversion transitions of dabco molecules cannot be associated with the influence of the intracrystalline self-consistent molecular field as a continuously monitoring environment within the quantum Zeno effect. In addition, lack of another manifestation of this effect associated with the collisional suppression of the inversion transitions in MOF samples impregnated by helium has been shown. These results lead to the conclusion that chiral polarization is related to the fundamental effect of parity nonconservation.

  19. Chirality-related interactions and a mirror symmetry violation in handed nano structures

    SciTech Connect

    Gabuda, S. P.; Kozlova, S. G.

    2014-07-28

    Hindering of inversion transitions and a violation of mirror symmetry of the right- and left-handed configurations of diazabizyclooctane (dabco, N{sub 2}C{sub 6}H{sub 12}) enantiomers has been studied with low-temperature adiabatic calorimetry. The dabco molecules were sandwiched in a high-porous layered structure of a metal organic framework (MOF) compound. We show from the data of low-temperature adiabatic calorimetry and {sup 1}H NMR spin relaxation method that hindering of inversion transitions of dabco molecules cannot be associated with the influence of the intracrystalline self-consistent molecular field as a continuously monitoring environment within the quantum Zeno effect. In addition, lack of another manifestation of this effect associated with the collisional suppression of the inversion transitions in MOF samples impregnated by helium has been shown. These results lead to the conclusion that chiral polarization is related to the fundamental effect of parity nonconservation.

  20. Chirality-related interactions and a mirror symmetry violation in handed nano structures.

    PubMed

    Gabuda, S P; Kozlova, S G

    2014-07-28

    Hindering of inversion transitions and a violation of mirror symmetry of the right- and left-handed configurations of diazabizyclooctane (dabco, N2C6H12) enantiomers has been studied with low-temperature adiabatic calorimetry. The dabco molecules were sandwiched in a high-porous layered structure of a metal organic framework (MOF) compound. We show from the data of low-temperature adiabatic calorimetry and (1)H NMR spin relaxation method that hindering of inversion transitions of dabco molecules cannot be associated with the influence of the intracrystalline self-consistent molecular field as a continuously monitoring environment within the quantum Zeno effect. In addition, lack of another manifestation of this effect associated with the collisional suppression of the inversion transitions in MOF samples impregnated by helium has been shown. These results lead to the conclusion that chiral polarization is related to the fundamental effect of parity nonconservation. PMID:25084931

  1. Investigation of the interaction between a novel unnatural chiral ligand and reactant on palladium for asymmetric hydrogenation.

    PubMed

    Jeon, Eun Hee; Yang, Sena; Kang, Sung Ho; Kim, Sehun; Lee, Hangil

    2015-07-21

    We report about the mechanistic studies of the reaction between a newly synthesized (S)-2-((R)-3H-dinaphtho[2,1-c:1',2'-e]azepin-4(5H)-yl)-2-phenylethanol based on the binaphthyl skeleton and (E)-2-methyl-5-phenylpent-2-enoic acid for the asymmetric hydrogenation of α,β-unsaturated acids with heterogeneous palladium catalysts. The specific interactions between the chiral ligand and reactant were investigated in solution with palladium nanoparticles, as well as under ultrahigh vacuum (UHV) conditions on the palladium metal surface in the absence of hydrogen. The reactions were explored using nuclear magnetic resonance (NMR) spectroscopy, scanning tunneling microscopy (STM), and high-resolution photoemission spectroscopy (HRPES) combined with density functional theory (DFT) calculations. A NMR study identified the interaction between both molecules with palladium nanoparticles in solution. In addition, STM and HRPES studies revealed the spatial distribution and configuration of both compounds on the palladium metal surface under UHV conditions. The theoretical results support the experimental results with respect to the interaction energy value. It was found that the reaction between the ligand and reactant occurs with hydrogen bonding on palladium surface, simultaneously. The present study provides mechanistic details of the asymmetric hydrogenation reaction, which bears a correlation between the ligand, reactant, and catalyst during the reaction. PMID:26084713

  2. Site and chirality selective chemical modifications of boron nitride nanotubes (BNNTs) via Lewis acid-base interactions.

    PubMed

    Sundaram, Rajashabala; Scheiner, Steve; Roy, Ajit K; Kar, Tapas

    2015-02-01

    The pristine BNNTs contain both Lewis acid (boron) and Lewis base (nitrogen) centers at their surface. Interactions of ammonia and borane molecules, representatives of Lewis base and acid as adsorbates respectively, with matching sites at the surface of BNNTs, have been explored in the present DFT study. Adsorption energies suggest stronger chemisorption (about 15-20 kcal mol(-1)) of borane than ammonia (about 5-10 kcal mol(-1)) in both armchair (4,4) and zigzag (8,0) variants of the tube. NH3 favors (8,0) over the (4,4) tube, whereas BH3 exhibits the opposite preference, indicating some chirality dependence on acid-base interactions. A new feature of bonding is found in BH3/AlH3-BNNTs (at the edge site) complexes, where one hydrogen of the guest molecule is involved in three-center two-electron bonding, in addition to dative covalent bond (N: → B). This interaction causes a reversal of electron flow from borane/alane to BNNT, making the tube an electron acceptor, suggesting tailoring of electronic properties could be possible by varying strength of incoming Lewis acids. On the contrary, BNNTs always behave as electron acceptor in ammonia complexes. IR, XPS and NMR spectra show some characteristic features of complexes and can help experimentalists to identify not only structures of such complexes but also the location of the guest molecules and design second functionalizations. Interaction with several other neutral BF3, BCl3, BH2CH3 and ionic CH3(+) acids as well as amino group (CH3NH2 and NH2COOH) were also studied. The strongest interaction (>100 kcal mol(-1)) is found in BNNT-CH3(+) complexes and H-bonds are the only source of stability of NH2COOH-BNNT complexes. PMID:25559141

  3. CHARACTERIZATION OF INTERACTION KINETICS BETWEEN CHIRAL SOLUTES AND HUMAN SERUM ALBUMIN BY USING HIGH-PERFORMANCE AFFINITY CHROMATOGRAPHY AND PEAK PROFILING

    PubMed Central

    Tong, Zenghan; Hage, David S.

    2011-01-01

    Peak profiling and high-performance columns containing immobilized human serum albumin (HSA) were used to study the interaction kinetics of chiral solutes with this protein. This approach was tested using the phenytoin metabolites 5-(3-hydroxyphenyl)-5-phenylhydantoin (m-HPPH) and 5-(4-hydroxyphenyl)-5-phenylhydantoin (p-HPPH) as model analytes. HSA columns provided some resolution of the enantiomers for each phenytoin metabolite, which made it possible to simultaneously conduct kinetic studies on each chiral form. The dissociation rate constants for these interactions were determined by using both the single flow rate and multiple flow rate peak profiling methods. Corrections for non-specific interactions with the support were also considered. The final estimates obtained at pH 7.4 and 37°C for the dissociation rate constants of these interactions were 8.2–9.6 s−1 for the two enantiomers of m-HPPH and 3.2–4.1 s−1 for the enantiomers of p-HPPH. These rate constants agreed with previous values that have been reported for other drugs and solutes that have similar affinities and binding regions on HSA. The approach used in this report was not limited to phenytoin metabolites or HSA but could be applied to a variety of other chiral solutes and proteins. This method could also be adopted for use in the rapid screening of drug-protein interactions. PMID:21872871

  4. Orion Exploration Flight Test-1 (EFT-1) Absolute Navigation Performance

    NASA Technical Reports Server (NTRS)

    Zanetti, Renato

    2015-01-01

    The Orion vehicle, being design to take men back to the Moon and beyond, successfully completed its first flight test, EFT-1 (Exploration Flight Test-1), on December 5th, 2014. The main objective of the test was to demonstrate the capability of re-enter into the Earth's atmosphere and safely splash-down into the pacific ocean. This un-crewed mission completes two orbits around Earth, the second of which is highly elliptical with an apogee of approximately 5908 km, higher than any vehicle designed for humans has been since the Apollo program. The trajectory was designed in order to test a high-energy re-entry similar to those crews will undergo during lunar missions. The mission overview is shown in Figure 1. The objective of this paper is to document the performance of the absolute navigation system during EFT-1 and to present its design.

  5. SRAG Measurements Performed During the Orion EFT-1 Mission

    NASA Technical Reports Server (NTRS)

    Gaza, Ramona

    2015-01-01

    The Exploration Flight Test 1 (EFT-1) was the first flight of the Orion Multi-Purpose Crew Vehicle (MPCV). The flight was launched on December 5, 2014, by a Delta IV Heavy rocket and lasted 4.5 hours. The EFT-1 trajectory involved one low altitude orbit and one high altitude orbit with an apogee of almost 6000 km. As a result of this particular flight profile, the Orion MPCV passed through intense regions of trapped protons and electron belts. In support of the radiation measurements aboard the EFT-1, the Space Radiation Analysis Group (SRAG) provided a Battery-operated Independent Radiation Detector (BIRD) based on Timepix radiation monitoring technology similar to that employed by the ISS Radiation Environmental Monitors (REM). In addition, SRAG provided a suite of optically and thermally stimulated luminescence detectors, with 2 Radiation Area Monitor (RAM) units collocated with the BIRD instrument for comparison purposes, and 6 RAM units distributed at different shielding configurations within the Orion MPCV. A summary of the EFT-1 Radiation Area Monitors (RAM) mission dose results obtained from measurements performed in the Space Radiation Dosimetry Laboratory at the NASA Johnson Space Center will be presented. Each RAM included LiF:Mg,Ti (TLD-100), (6)LiF:Mg,Ti (TLD-600), (7)LiF:Mg,Ti (TLD-700), Al2O3:C (Luxel trademark), and CaF2:Tm (TLD-300). The RAM mission dose values will be compared with the BIRD instrument total mission dose. In addition, a similar comparison will be shown for the ISS environment by comparing the ISS RAM data with data from the six Timepix-based REM units deployed on ISS as part of the NASA REM Technology Demonstration.

  6. Chirality and equilibrium biopolymer bundles.

    PubMed

    Grason, Gregory M; Bruinsma, Robijn F

    2007-08-31

    We use continuum theory to show that chirality is a key thermodynamic control parameter for the aggregation of biopolymers: chirality produces a stable disperse phase of hexagonal bundles under moderately poor solvent conditions, as has been observed in in vitro studies of F actin [O. Pelletier et al., Phys. Rev. Lett. 91, 148102 (2003)]. The large characteristic radius of these chiral bundles is not determined by a mysterious long-range molecular interaction but by in-plane shear elastic stresses generated by the interplay between a chiral torque and an unusual, but universal, nonlinear gauge term in the strain tensor of ordered chains that is imposed by rotational invariance. PMID:17931038

  7. Fine structures in vibrational circular dichroism spectra of chiral molecules with rotatable hydroxyl groups and their application in the analysis of local intermolecular interactions

    NASA Astrophysics Data System (ADS)

    Konno, Kohzo; Shiina, Isamu; Yui, Hiroharu

    2013-03-01

    The effect of hydroxyl group on vibrational circular dichroism is addressed. (-)-Menthol is investigated as a representative chiral molecule which has been widely used as a chiral starting material. Free rotation of the hydroxyl group in (-)-menthol allows it to exist in various conformations in solution. The variety of conformations inevitably affects local intermolecular interactions and the resultant efficiency of asymmetric syntheses. However, the precise relationship between the conformations and intermolecular interactions arising from rotation of the hydroxyl group has remained an unsolved issue despite the molecule's importance. Here, the conformations and interactions are investigated using vibrational circular dichroism (VCD). VCD is quite sensitive to slight differences in the conformation of chiral molecules and their local environment. We examined various conformers in (-)-menthol and compared the VCD spectrum with that of (-)-menthone. It revealed the rotation of the polar hydroxyl group sensitively affects the VCD activity, resulting in the emergence of various patterns in the corresponding VCD spectra, especially in the wavenumber regions at around 1064 cm-1 and 1254 cm-1. Among these regions, the latter one is further investigated to examine the feasibility of applying the sensitive response to the analysis on the local intermolecular environment. It includes solute-solvent interactions via hydroxyl groups, which is important for biomacromolecule structural stability and efficient stereoselective syntheses. As a consequence, distinctive fine structures in the VCD spectra, including an unpredicted band, are observed when varying temperature and concentration. Their possible assignment is also discussed.

  8. Chiral Sensor for Enantiodiscrimination of Varied Acids.

    PubMed

    Huang, Huayin; Bian, Guangling; Zong, Hua; Wang, Yabai; Yang, Shiwei; Yue, Huifeng; Song, Ling; Fan, Hongjun

    2016-06-01

    A chiral thiophosphoroamide 4 derived from (1R,2R)-1,2-diaminocyclohexane is used as a highly effective chiral sensor for the chiral recognition of varied acids via ion-pairing and hydrogen-bonding interactions using (1)H, (19)F and (31)P NMR. PMID:27192021

  9. Consistency of the {pi}{delta} interaction in chiral perturbation theory

    SciTech Connect

    Wies, N.; Scherer, S.; Gegelia, J.

    2006-05-01

    We analyze the constraint structure of a spin-3/2 particle interacting with a pseudoscalar. Requiring the self consistency of the considered effective field theory imposes restrictions on the possible interaction terms. In the present case we derive two constraints among the three lowest-order {pi}{delta} interaction terms. From these constraints we find that the total Lagrangian is invariant under the so-called point transformation. On the other hand, demanding the invariance under the point transformation alone is less stringent and produces only classes of relations among the coupling constants.

  10. Chiral superconductors.

    PubMed

    Kallin, Catherine; Berlinsky, John

    2016-05-01

    Chiral superconductivity is a striking quantum phenomenon in which an unconventional superconductor spontaneously develops an angular momentum and lowers its free energy by eliminating nodes in the gap. It is a topologically non-trivial state and, as such, exhibits distinctive topological modes at surfaces and defects. In this paper we discuss the current theory and experimental results on chiral superconductors, focusing on two of the best-studied systems, Sr2RuO4, which is thought to be a chiral triplet p-wave superconductor, and UPt3, which has two low-temperature superconducting phases (in zero magnetic field), the lower of which is believed to be chiral triplet f-wave. Other systems that may exhibit chiral superconductivity are also discussed. Key signatures of chiral superconductivity are surface currents and chiral Majorana modes, Majorana states in vortex cores, and the possibility of half-flux quantum vortices in the case of triplet pairing. Experimental evidence for chiral superconductivity from μSR, NMR, strain, polar Kerr effect and Josephson tunneling experiments are discussed. PMID:27088452

  11. Chiral squaring

    NASA Astrophysics Data System (ADS)

    Nagy, S.

    2016-07-01

    We construct the states and symmetries of N = 4 super-Yang-Mills by tensoring two N = 1 chiral multiplets and introducing two extra SUSY generators. This allows us to write the maximal N = 8 supergravity as four copies of the chiral multiplet. We extend this to higher dimensions and discuss applications to scattering amplitudes.

  12. Chiral superconductors

    NASA Astrophysics Data System (ADS)

    Kallin, Catherine; Berlinsky, John

    2016-05-01

    Chiral superconductivity is a striking quantum phenomenon in which an unconventional superconductor spontaneously develops an angular momentum and lowers its free energy by eliminating nodes in the gap. It is a topologically non-trivial state and, as such, exhibits distinctive topological modes at surfaces and defects. In this paper we discuss the current theory and experimental results on chiral superconductors, focusing on two of the best-studied systems, Sr2RuO4, which is thought to be a chiral triplet p-wave superconductor, and UPt3, which has two low-temperature superconducting phases (in zero magnetic field), the lower of which is believed to be chiral triplet f-wave. Other systems that may exhibit chiral superconductivity are also discussed. Key signatures of chiral superconductivity are surface currents and chiral Majorana modes, Majorana states in vortex cores, and the possibility of half-flux quantum vortices in the case of triplet pairing. Experimental evidence for chiral superconductivity from μSR, NMR, strain, polar Kerr effect and Josephson tunneling experiments are discussed.

  13. Repulsive Casimir force in chiral metamaterials.

    PubMed

    Zhao, R; Zhou, J; Koschny, Th; Economou, E N; Soukoulis, C M

    2009-09-01

    We demonstrate theoretically that one can obtain repulsive Casimir forces and stable nanolevitations by using chiral metamaterials. By extending the Lifshitz theory to treat chiral metamaterials, we find that a repulsive force and a minimum of the interaction energy possibly exist for strong chirality, under realistic frequency dependencies and correct limiting values (for zero and infinite frequencies) of the permittivity, permeability, and chiral coefficients. PMID:19792309

  14. Chirality of weakly bound complexes: The potential energy surfaces for the hydrogen-peroxide−noble-gas interactions

    SciTech Connect

    Roncaratti, L. F. Leal, L. A.; Silva, G. M. de; Pirani, F.; Aquilanti, V.; Gargano, R.

    2014-10-07

    We consider the analytical representation of the potential energy surfaces of relevance for the intermolecular dynamics of weakly bound complexes of chiral molecules. In this paper we study the H{sub 2}O{sub 2}−Ng (Ng=He, Ne, Ar, Kr, and Xe) systems providing the radial and the angular dependence of the potential energy surface on the relative position of the Ng atom. We accomplish this by introducing an analytical representation which is able to fit the ab initio energies of these complexes in a wide range of geometries. Our analysis sheds light on the role that the enantiomeric forms and the symmetry of the H{sub 2}O{sub 2} molecule play on the resulting barriers and equilibrium geometries. The proposed theoretical framework is useful to study the dynamics of the H{sub 2}O{sub 2} molecule, or other systems involving O–O and S–S bonds, interacting by non-covalent forces with atoms or molecules and to understand how the relative orientation of the O–H bonds changes along collisional events that may lead to a hydrogen bond formation or even to selectivity in chemical reactions.

  15. Light-front representation of chiral dynamics with Δ isobar and large- N c relations

    NASA Astrophysics Data System (ADS)

    Granados, C.; Weiss, C.

    2016-06-01

    Transverse densities describe the spatial distribution of electromagnetic current in the nucleon at fixed light-front time. At peripheral distances b = O( M π - 1 ) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). Recent work has shown that the EFT results can be represented in first-quantized form, as overlap integrals of chiral light-front wave functions describing the transition of the nucleon to soft-pion-nucleon intermediate states, resulting in a quantum-mechanical picture of the peripheral transverse densities. We now extend this representation to include intermediate states with Δ isobars and implement relations based on the large- N c limit of QCD. We derive the wave function overlap formulas for the Δ contributions to the peripheral transverse densities by way of a three-dimensional reduction of relativistic chiral EFT expressions. Our procedure effectively maintains rotational invariance and avoids the ambiguities with higher-spin particles in the light-front time-ordered approach. We study the interplay of π N and πΔ intermediate states in the quantum-mechanical picture of the densities in a transversely polarized nucleon. We show that the correct N c -scaling of the charge and magnetization densities emerges as the result of the particular combination of currents generated by intermediate states with degenerate N and Δ. The off-shell behavior of the chiral EFT is summarized in contact terms and can be studied easily. The methods developed here can be applied to other peripheral densities and to moments of the nucleon's generalized parton distributions.

  16. Self-assembled cyclodextrin-modified gold nanoparticles on silica beads as stationary phase for chiral liquid chromatography and hydrophilic interaction chromatography.

    PubMed

    Li, Yuanyuan; Wei, Manman; Chen, Tong; Zhu, Nan; Ma, Yulong

    2016-11-01

    A facile strategy based on self-assembly of Au nanoparticles (AuNPs) (60±10nm in size) on the surfaces of amino-functionalized porous silica spheres under mild conditions was proposed. The resulting material possessed a core-shell structure in which AuNPs were the shell and silica spheres were the core. Then, thiolated-β-cyclodextrin (SH-β-CD) was covalently attached onto the AuNPs as chiral selector for the enantioseparation. The resultant packing material was evaluated by high-performance liquid chromatography (HPLC). The separations of nine pairs of enantiomers were achieved by using the new chiral stationary phase (CSP) in the reversed-phase liquid chromatography (RPLC) mode, respectively. The results showed the new CSP have more sufficient interaction with the analytes due to the existence of AuNPs on silica surfaces, resulting in faster mass transfer rate, compared with β-CD modified silica column. The result shed light on potential usage of chemical modified NPs as chiral selector for enantioseparation based on HPLC. In addition, the new phase was also used in hydrophilic interaction liquid chromatography (HILIC) to separate polar compounds and highly hydrophilic compounds. PMID:27591589

  17. Chiral Graphene Quantum Dots.

    PubMed

    Suzuki, Nozomu; Wang, Yichun; Elvati, Paolo; Qu, Zhi-Bei; Kim, Kyoungwon; Jiang, Shuang; Baumeister, Elizabeth; Lee, Jaewook; Yeom, Bongjun; Bahng, Joong Hwan; Lee, Jaebeom; Violi, Angela; Kotov, Nicholas A

    2016-02-23

    Chiral nanostructures from metals and semiconductors attract wide interest as components for polarization-enabled optoelectronic devices. Similarly to other fields of nanotechnology, graphene-based materials can greatly enrich physical and chemical phenomena associated with optical and electronic properties of chiral nanostructures and facilitate their applications in biology as well as other areas. Here, we report that covalent attachment of l/d-cysteine moieties to the edges of graphene quantum dots (GQDs) leads to their helical buckling due to chiral interactions at the "crowded" edges. Circular dichroism (CD) spectra of the GQDs revealed bands at ca. 210-220 and 250-265 nm that changed their signs for different chirality of the cysteine edge ligands. The high-energy chiroptical peaks at 210-220 nm correspond to the hybridized molecular orbitals involving the chiral center of amino acids and atoms of graphene edges. Diverse experimental and modeling data, including density functional theory calculations of CD spectra with probabilistic distribution of GQD isomers, indicate that the band at 250-265 nm originates from the three-dimensional twisting of the graphene sheet and can be attributed to the chiral excitonic transitions. The positive and negative low-energy CD bands correspond to the left and right helicity of GQDs, respectively. Exposure of liver HepG2 cells to L/D-GQDs reveals their general biocompatibility and a noticeable difference in the toxicity of the stereoisomers. Molecular dynamics simulations demonstrated that d-GQDs have a stronger tendency to accumulate within the cellular membrane than L-GQDs. Emergence of nanoscale chirality in GQDs decorated with biomolecules is expected to be a general stereochemical phenomenon for flexible sheets of nanomaterials. PMID:26743467

  18. Light-front representation of chiral dynamics in peripheral transverse densities

    DOE PAGESBeta

    Granados, Carlos G.; Weiss, Christian

    2015-07-31

    The nucleon's electromagnetic form factors are expressed in terms of the transverse densities of charge and magnetization at fixed light-front time. At peripheral transverse distances b = O(M_pi^{-1}) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). We represent the leading-order chiral EFT results for the peripheral transverse densities as overlap integrals of chiral light-front wave functions, describing the transition of the initial nucleon to soft pion-nucleon intermediate states and back. The new representation (a) explains the parametric order of the peripheral transverse densities; (b) establishes an inequality between the spin-independentmore » and -dependent densities; (c) exposes the role of pion orbital angular momentum in chiral dynamics; (d) reveals a large left-right asymmetry of the current in a transversely polarized nucleon and suggests a simple interpretation. The light-front representation enables a first-quantized, quantum-mechanical view of chiral dynamics that is fully relativistic and exactly equivalent to the second-quantized, field-theoretical formulation. It relates the charge and magnetization densities measured in low-energy elastic scattering to the generalized parton distributions probed in peripheral high-energy scattering processes. The method can be applied to nucleon form factors of other operators, e.g. the energy-momentum tensor.« less

  19. Light-front representation of chiral dynamics in peripheral transverse densities

    SciTech Connect

    Granados, Carlos G.; Weiss, Christian

    2015-07-31

    The nucleon's electromagnetic form factors are expressed in terms of the transverse densities of charge and magnetization at fixed light-front time. At peripheral transverse distances b = O(M_pi^{-1}) the densities are governed by chiral dynamics and can be calculated model-independently using chiral effective field theory (EFT). We represent the leading-order chiral EFT results for the peripheral transverse densities as overlap integrals of chiral light-front wave functions, describing the transition of the initial nucleon to soft pion-nucleon intermediate states and back. The new representation (a) explains the parametric order of the peripheral transverse densities; (b) establishes an inequality between the spin-independent and -dependent densities; (c) exposes the role of pion orbital angular momentum in chiral dynamics; (d) reveals a large left-right asymmetry of the current in a transversely polarized nucleon and suggests a simple interpretation. The light-front representation enables a first-quantized, quantum-mechanical view of chiral dynamics that is fully relativistic and exactly equivalent to the second-quantized, field-theoretical formulation. It relates the charge and magnetization densities measured in low-energy elastic scattering to the generalized parton distributions probed in peripheral high-energy scattering processes. The method can be applied to nucleon form factors of other operators, e.g. the energy-momentum tensor.

  20. Isotopic chirality

    SciTech Connect

    Floss, H.G.

    1994-12-01

    This paper deals with compounds that are chiral-at least in part, due to isotope substitution-and their use in tracing the steric course of enzyme reaction in vitro and in vivo. There are other applications of isotopically chiral compounds (for example, in analyzing the steric course of nonenzymatic reactions and in probing the conformation of biomolecules) that are important but they will not be discussed in this context.

  1. Additive interfacial chiral interaction in multilayers for stabilization of small individual skyrmions at room temperature

    NASA Astrophysics Data System (ADS)

    Moreau-Luchaire, C.; Moutafis, C.; Reyren, N.; Sampaio, J.; Vaz, C. A. F.; van Horne, N.; Bouzehouane, K.; Garcia, K.; Deranlot, C.; Warnicke, P.; Wohlhüter, P.; George, J.-M.; Weigand, M.; Raabe, J.; Cros, V.; Fert, A.

    2016-05-01

    Facing the ever-growing demand for data storage will most probably require a new paradigm. Nanoscale magnetic skyrmions are anticipated to solve this issue as they are arguably the smallest spin textures in magnetic thin films in nature. We designed cobalt-based multilayered thin films in which the cobalt layer is sandwiched between two heavy metals and so provides additive interfacial Dzyaloshinskii–Moriya interactions (DMIs), which reach a value close to 2 mJ m–2 in the case of the Ir|Co|Pt asymmetric multilayers. Using a magnetization-sensitive scanning X-ray transmission microscopy technique, we imaged small magnetic domains at very low fields in these multilayers. The study of their behaviour in a perpendicular magnetic field allows us to conclude that they are actually magnetic skyrmions stabilized by the large DMI. This discovery of stable sub-100 nm individual skyrmions at room temperature in a technologically relevant material opens the way for device applications in the near future.

  2. Additive interfacial chiral interaction in multilayers for stabilization of small individual skyrmions at room temperature.

    PubMed

    Moreau-Luchaire, C; Mouta S, C; Reyren, N; Sampaio, J; Vaz, C A F; Van Horne, N; Bouzehouane, K; Garcia, K; Deranlot, C; Warnicke, P; Wohlhüter, P; George, J-M; Weigand, M; Raabe, J; Cros, V; Fert, A

    2016-05-01

    Facing the ever-growing demand for data storage will most probably require a new paradigm. Nanoscale magnetic skyrmions are anticipated to solve this issue as they are arguably the smallest spin textures in magnetic thin films in nature. We designed cobalt-based multilayered thin films in which the cobalt layer is sandwiched between two heavy metals and so provides additive interfacial Dzyaloshinskii-Moriya interactions (DMIs), which reach a value close to 2 mJ m(-2) in the case of the Ir|Co|Pt asymmetric multilayers. Using a magnetization-sensitive scanning X-ray transmission microscopy technique, we imaged small magnetic domains at very low fields in these multilayers. The study of their behaviour in a perpendicular magnetic field allows us to conclude that they are actually magnetic skyrmions stabilized by the large DMI. This discovery of stable sub-100 nm individual skyrmions at room temperature in a technologically relevant material opens the way for device applications in the near future. PMID:26780660

  3. Orion EFT-1 Cavity Heating Tile Experiments and Environment Reconstruction

    NASA Technical Reports Server (NTRS)

    Salazar, Giovanni; Amar, Adam; Oliver, Brandon; Hyatt, Andrew; Rezin, Marc

    2016-01-01

    Developing aerothermodynamic environments for deep cavities, such as those produced by micrometeoroids and orbital debris impacts, poses a great challenge for engineers. In order to assess existing cavity heating models, two one-inch diameter cavities were flown on the Orion Multi-Purpose Crew Vehicle during Exploration Flight Test 1 (EFT1). These cavities were manufactured with depths of 1.0 in and 1.4 in, and they were both instrumented. Instrumentation included surface thermocouples upstream, downstream and within the cavities, and additional thermocouples at the TPS-structure interface. This paper will present the data obtained, and comparisons with computational predictions will be shown. Additionally, the development of a 3D material thermal model will be described, which will be used to account for the three-dimensionality of the problem when interpreting the data. Furthermore, using a multi-dimensional inverse heat conduction approach, a reconstruction of a time- and space-dependent flight heating distribution during EFT1 will be presented. Additional discussions will focus on instrumentation challenges and calibration techniques specific to these experiments. The analysis shown will highlight the accuracies and/or deficiencies of current computational techniques to model cavity flows during hypersonic re-entry.

  4. Orion EFT-1 Catalytic Tile Experiment Overview and Flight Measurements

    NASA Technical Reports Server (NTRS)

    Salazar, Giovanni; Amar, Adam; Hyatt, Andrew; Rezin, Marc D.

    2016-01-01

    This paper describes the design and results of a surface catalysis flight experiment flown on the Orion Multipurpose Crew Vehicle during Exploration Flight Test 1 (EFT1). Similar to previous Space Shuttle catalytic tile experiments, the present test consisted of a highly catalytic coating applied to an instrumented TPS tile. However, the present catalytic tile experiment contained significantly more instrumentation in order to better resolve the heating overshoot caused by the change in surface catalytic efficiency at the interface between two distinct materials. In addition to collecting data with unprecedented spatial resolution of the "overshoot" phenomenon, the experiment was also designed to prove if such a catalytic overshoot would be seen in turbulent flow in high enthalpy regimes. A detailed discussion of the results obtained during EFT1 is presented, as well as the challenges associated with data interpretation of this experiment. Results of material testing carried out in support of this flight experiment are also shown. Finally, an inverse heat conduction technique is employed to reconstruct the flight environments at locations upstream and along the catalytic coating. The data and analysis presented in this work will greatly contribute to our understanding of the catalytic "overshoot" phenomenon, and have a significant impact on the design of future spacecraft.

  5. Compton scattering and nucleon polarisabilities in chiral EFT: Status and future

    NASA Astrophysics Data System (ADS)

    Grießhammer, Harald W.; McGovern, Judith A.; Phillips, Daniel R.

    2016-05-01

    We review theoretical progress and prospects for determining the nucleon's static dipole polarisabilities from Compton scattering on few-nucleon targets, including new values; see Refs. [1-5] for details and a more thorough bibliography.

  6. News on Compton Scattering γX → γX in Chiral EFT

    NASA Astrophysics Data System (ADS)

    Grießhammer, Harald W.; McGovern, Judith A.; Phillips, Daniel R.

    2016-03-01

    We review theoretical progress and prospects to understand the nucleon's static dipole polarisabilities from Compton scattering on few-nucleon targets, including new values; see Refs. [1-5] for details and a more thorough bibliography.

  7. Investigation of Solute-Fiber Affinity and Orientational Ordering of Norbornadiene Interacting with Two-Polypeptide Chiral Liquid Crystalline Solvents by Natural Abundance Deuterium (NAD) NMR.

    PubMed

    Serhan, Zeinab; Aroulanda, Christie; Lesot, Philippe

    2016-08-01

    A prochiral bridged compound of C2v symmetry, the norbornadiene (NBD), oriented in a chiral liquid crystal composed of various mixtures of poly-γ-benzyl-l-glutamate (PBLG) and poly-ε-carboxy-l-lysine (PCBLL), two chiral homopolypeptides, is investigated using natural abundance deuterium 2D-NMR (NAD 2D-NMR) spectroscopy. In such chiral oriented solvents, enantiotopic directions are spectrally nonequivalent, and two distinct (2)H quadrupolar doublets associated with enantioisotopomeric pairs of NBD are detected. As the two homopolypeptides have the same absolute configuration but distinct chemical functions in their side chains, the variation of residual quadrupolar couplings (RQC's) allows the determination of the relative solute-fiber affinities toward the two polypeptides in these lyotropic bipolymeric systems. Besides the experimental measurement of RQC's and the determination of their signs at each inequivalent (2)H site, the elements of the second-rank order tensor, Sαβ, are calculated by assuming a modeled structure. The variations of RQC's and diagonalized order parameters, Sα'α', are followed versus the relative proportion of two polypeptides in the chiral oriented mixture. The influence of the solute mass fraction in the two-homopolypeptide oriented samples is also examined as well as the case of homogeneous and uniform achiral mesophases "PBG-PCBL" made of two pairs of mirror-image homopolypeptides (PBLG/PBDG and PCBLL/PCBDL). In the latter, the solute ordering is modulated by the proportion of each type of homopolypeptide (chemical nature and absolute configuration), leading to eliminate the enantiodiscrimination mechanisms on the average. In the frame of a model, new insights on the solute-homopolypeptide fiber interactions are discussed. PMID:27383731

  8. Power counting regime of chiral effective field theory and beyond.

    SciTech Connect

    Hall, J. M.M.; Leinweber, D. B.; Young, R. D.; Physics; Univ. of Adelaide

    2010-08-10

    Chiral effective field theory ({chi}EFT) complements numerical simulations of quantum chromodynamics (QCD) on a space-time lattice. It provides a model-independent formalism for connecting lattice simulation results at finite volume and a variety of quark masses to the physical world. The asymptotic nature of the chiral expansion places the focus on the first few terms of the expansion. Thus, knowledge of the power-counting regime (PCR) of {chi}EFT, where higher-order terms of the expansion may be regarded as negligible, is as important as knowledge of the expansion itself. Through the consideration of a variety of renormalization schemes and associated parameters, techniques to identify the PCR where results are independent of the renormalization scheme are established. The nucleon mass is considered as a benchmark for illustrating this general approach. Because the PCR is small, the numerical simulation results are also examined to search for the possible presence of an intrinsic scale which may be used in a nonperturbative manner to describe lattice simulation results outside of the PCR. Positive results that improve on the current optimistic application of chiral perturbation theory ({chi}PT) beyond the PCR are reported.

  9. Power counting regime of chiral effective field theory and beyond

    SciTech Connect

    Hall, J. M. M.; Leinweber, D. B.; Young, R. D.

    2010-08-01

    Chiral effective field theory ({chi}EFT) complements numerical simulations of quantum chromodynamics (QCD) on a space-time lattice. It provides a model-independent formalism for connecting lattice simulation results at finite volume and a variety of quark masses to the physical world. The asymptotic nature of the chiral expansion places the focus on the first few terms of the expansion. Thus, knowledge of the power-counting regime (PCR) of {chi}EFT, where higher-order terms of the expansion may be regarded as negligible, is as important as knowledge of the expansion itself. Through the consideration of a variety of renormalization schemes and associated parameters, techniques to identify the PCR where results are independent of the renormalization scheme are established. The nucleon mass is considered as a benchmark for illustrating this general approach. Because the PCR is small, the numerical simulation results are also examined to search for the possible presence of an intrinsic scale which may be used in a nonperturbative manner to describe lattice simulation results outside of the PCR. Positive results that improve on the current optimistic application of chiral perturbation theory ({chi}PT) beyond the PCR are reported.

  10. Enantiomeric pair of copper(II) polypyridyl-alanine complexes: Effect of chirality on their interaction with biomolecules.

    PubMed

    Ng, Chew Hee; Chan, Cheang Wei; Lai, Jing Wei; Ooi, Ing Hong; Chong, Kok Vei; Maah, Mohd Jamil; Seng, Hoi Ling

    2016-07-01

    Like chiral organic drugs, the chemical and biological properties of metal complexes can be dependent on chirality. Two pairs of [Cu(phen)(ala)(H2O)]X·xH2O (phen=1.10-phenanthroline: X=NO3(-); ala: l-alanine (l-ala), 1 and d-alanine (d-ala) 2; and (X=Cl(-); ala: l-ala, 3 and d-ala, 4) complex salts (x=number of lattice water molecules) have been synthesized and characterized. The crystal structure of 3 has been determined. The same pair of enantiomeric species, viz. [Cu(phen)(l-ala)(H2O)](+) and [Cu(phen)(d-ala)(H2O)](+), have been identified to be present in the aqueous solutions of both 1 and 3, and in those of both 2 and 4 respectively. Both 3 and 4 bind more strongly to ds(AT)6 than ds(CG)6. There is no or insignificant effect of the chirality of 3 and 4 on the production of hydroxyl radicals, binding to deoxyribonucleic acid from calf thymus (CT-DNA), ds(CG)6, G-quadruplex and 17-base pair duplex, and inhibition of both topoisomerase I and proteasome. Among the three proteasome proteolytic sites, the trypsin-like site is inhibited most strongly by these complexes. However, the chirality of 3 and 4 does affect the number of restriction enzymes inhibited, and their binding constants towards ds(AT)6 and serum albumin. PMID:27105312

  11. Punctuated Chirality

    NASA Astrophysics Data System (ADS)

    Gleiser, Marcelo; Thorarinson, Joel; Walker, Sara Imari

    2008-12-01

    Most biomolecules occur in mirror, or chiral, images of each other. However, life is homochiral: proteins contain almost exclusively L-amino acids, while only D-sugars appear in RNA and DNA. The mechanism behind this fundamental asymmetry of life remains an open problem. Coupling the spatiotemporal evolution of a general autocatalytic polymerization reaction network to external environmental effects, we show through a detailed statistical analysis that high intensity and long duration events may drive achiral initial conditions towards chirality. We argue that life’s homochirality resulted from sequential chiral symmetry breaking triggered by environmental events, thus extending the theory of punctuated equilibrium to the prebiotic realm. Applying our arguments to other potentially life-bearing planetary platforms, we predict that a statistically representative sampling will be racemic on average.

  12. Punctuated chirality.

    PubMed

    Gleiser, Marcelo; Thorarinson, Joel; Walker, Sara Imari

    2008-12-01

    Most biomolecules occur in mirror, or chiral, images of each other. However, life is homochiral: proteins contain almost exclusively L-amino acids, while only D-sugars appear in RNA and DNA. The mechanism behind this fundamental asymmetry of life remains an open problem. Coupling the spatiotemporal evolution of a general autocatalytic polymerization reaction network to external environmental effects, we show through a detailed statistical analysis that high intensity and long duration events may drive achiral initial conditions towards chirality. We argue that life's homochirality resulted from sequential chiral symmetry breaking triggered by environmental events, thus extending the theory of punctuated equilibrium to the prebiotic realm. Applying our arguments to other potentially life-bearing planetary platforms, we predict that a statistically representative sampling will be racemic on average. PMID:18841492

  13. Prebiotic chirality

    NASA Astrophysics Data System (ADS)

    Mekki-Berrada, Ali

    Bringing closer phospholipids each other on a bilayer of liposome, causes their rotation around their fatty acids axis, generating a force which brings closer the two sheets of the bilayer. In this theoretical study I show that for getting the greater cohesion of the liposome, by these forces, the serine in the hydrophilic head must have a L chirality. In the case where the hydrophilic head is absent amino acids with L chirality could contribute to this cohesion by taking the place of L-serine. Some coenzymes having a configuration similar to ethanolamine may also contribute. This is the case of pyridoxamine, thiamine and tetrahydrofolic acid. The grouping of amino acids of L chirality and pyridoxamine on the wall could initialize the prebiotic metabolism of these L amino acids only. This would explain the origin of the homo-chirality of amino acids in living world. Furthermore I show that in the hydrophilic head, the esterification of glycerol-phosphate by two fatty acids go through the positioning of dihydroxyacetone-phosphate and L-glyceraldehyde-3-phosphate, but not of D-glyceraldehyde-3-phosphate, prior their hydrogenation to glycerol-3- phosphate. The accumulation of D-glyceraldehyde-3-phosphate in the cytoplasm displace the thermodynamic equilibria towards the synthesis of D-dATP from D-glyceraldehyde-3-phosphate, acetaldehyde and prebiotic adenine, a reaction which does not require a coenzyme in the biotic metabolism. D-dATP and thiamine, more prebiotic metabolism of L-amino acids on the wall, would initialize D-pentoses phosphate and D-nucleotides pathways from the reaction of D-glyceraldehyde-3-phosphate + dihydroxyacetone-phosphate + prebiotic nucleic bases. The exhaustion of the prebiotic glyceraldehyde (racemic) and the nascent biotic metabolism dominated by D-glyceraldehyde-3-phosphate, would explain the origin of homo-chirality of sugars in living world. References: http://en.wikiversity.org/wiki/Prebiotic_chirality

  14. Advanced Command Destruct System (ACDS) Enhanced Flight Termination System (EFTS)

    NASA Technical Reports Server (NTRS)

    Tow, David

    2009-01-01

    NASA Dryden started working towards a single vehicle enhanced flight termination system (EFTS) in January 2008. NASA and AFFTC combined their efforts to work towards final operating capability for multiple vehicle and multiple missions simultaneously, to be completed by the end of 2011. Initially, the system was developed to support one vehicle and one frequency per mission for unmanned aerial vehicles (UAVs) at NASA Dryden. By May 2008 95% of design and hardware builds were completed, however, NASA Dryden's change of software safety scope and requirements caused delays after May 2008. This presentation reviews the initial and final operating capabilities for the Advanced Command Destruct System (ACDS), including command controller and configuration software development. A requirements summary is also provided.

  15. The proton-deuteron scattering length in pionless EFT

    NASA Astrophysics Data System (ADS)

    König, Sebastian; Hammer, Hans-Werner

    2016-03-01

    We present a fully perturbative calculation of the quartet-channel proton-deuteron scattering length (4ap-d) up to next-to-next-to-leading order (NNLO) in pionless effective field theory. In particular, we use a framework that consistently extracts the Coulomb-modified effective range function for a screened Coulomb potential in momentum space. We find a natural convergence pattern as we go to higher orders in the EFT expansion. Our NNLO result of (10.9 ± 0.4) fm agrees with older experimental determinations but deviates from more recent calculations, which find values around 14 fm. To resolve this discrepancy, we discuss the scheme dependence of Coulomb subtractions in a three-body system.

  16. ISO(4,1) symmetry in the EFT of inflation

    SciTech Connect

    Creminelli, Paolo; Emami, Razieh; Simonović, Marko; Trevisan, Gabriele E-mail: emami@mail.ipm.ir E-mail: gtrevi@sissa.it

    2013-07-01

    In DBI inflation the cubic action is a particular linear combination of the two, otherwise independent, cubic operators π-dot {sup 3} and π-dot (∂{sub i}π){sup 2}. We show that in the Effective Field Theory (EFT) of inflation this is a consequence of an approximate 5D Poincar and apos;e symmetry, ISO(4,1), non-linearly realized by the Goldstone π. This symmetry uniquely fixes, at lowest order in derivatives, all correlation functions in terms of the speed of sound c{sub s}. In the limit c{sub s} → 1, the ISO(4,1) symmetry reduces to the Galilean symmetry acting on π. On the other hand, we point out that the non-linear realization of SO(4,2), the isometry group of 5D AdS space, does not fix the cubic action in terms of c{sub s}.

  17. METHODS DEVELOPMENT FOR THE ANALYSIS OF CHIRAL PESTICIDES

    EPA Science Inventory

    Chiral compounds exist as a pair of nonsuperimposable mirror images called enantiomers. Enantiomers have identical physical-chemical properties, but their interactions with other chiral molecules, toxicity, biodegradation, and fate are often different. Many pharmaceutical com...

  18. Chiral perturbation theory with nucleons

    SciTech Connect

    Meissner, U.G.

    1991-09-01

    I review the constraints posed on the interactions of pions, nucleons and photons by the spontaneously broken chiral symmetry of QCD. The framework to perform these calculations, chiral perturbation theory, is briefly discussed in the meson sector. The method is a simultaneous expansion of the Greens functions in powers of external moments and quark masses around the massless case, the chiral limit. To perform this expansion, use is made of a phenomenological Lagrangian which encodes the Ward-identities and pertinent symmetries of QCD. The concept of chiral power counting is introduced. The main part of the lectures of consists in describing how to include baryons (nucleons) and how the chiral structure is modified by the fact that the nucleon mass in the chiral limit does not vanish. Particular emphasis is put on working out applications to show the strengths and limitations of the methods. Some processes which are discussed are threshold photopion production, low-energy compton scattering off nucleons, {pi}N scattering and the {sigma}-term. The implications of the broken chiral symmetry on the nuclear forces are briefly described. An alternative approach, in which the baryons are treated as very heavy fields, is touched upon.

  19. Chirality Effect on Flory-Huggins Interaction Parameters in Polylactide-b-Poly(ethylene-co-1-butene)-b-Polylactide Triblock Copolymers

    NASA Astrophysics Data System (ADS)

    Cao, Weiqiang; Zhu, Lei; Rong, Lixia; Hsiao, Benjamin S.

    2009-03-01

    In this work, a set of well-defined polylactide-b-poly(ethylene-co-1-butene)-b-polylactide (PLA-PEB-PLA) triblock copolymers were synthesized by controlled ring-opening polymerization of corresponding lactide monomers (L-lactide and racemic mixture of D- and L-lactides) using Sn(Oct)2 as the catalyst. The volume fractions of PLA in the triblock copolymers were adjusted by tuning its molecular weight. The mesophase morphology and phase transitions in these triblock copolymers were studied by temperature-dependent small-angle X-ray scattering (SAXS). The Flory-Huggins interaction parameter χ between EB and lactide as a function of temperature were estimated from the order-disorder transition temperature (TODT) using the mean-field critical (χN)c values. The effects of PLA chirality on both Flory-Huggins interaction parameter and segmental lengths were investigated.

  20. Electric dipole moments of light nuclei from {chi}EFT

    SciTech Connect

    Higa, Renato

    2013-03-25

    I present recent calculations of EDMs of light nuclei using chiral effective field theory techniques. At leading-order, we argue that they can be expressed in terms of six CP-violating low-energy constants. With our expressions, eventual non-zero measurements of EDMs of deuteron, helion, and triton can be combined to disentangle the different sources of CP-violation.

  1. Chiral selection on inorganic crystalline surfaces

    NASA Technical Reports Server (NTRS)

    Hazen, Robert M.; Sholl, David S.

    2003-01-01

    From synthetic drugs to biodegradable plastics to the origin of life, the chiral selection of molecules presents both daunting challenges and significant opportunities in materials science. Among the most promising, yet little explored, avenues for chiral molecular discrimination is adsorption on chiral crystalline surfaces - periodic environments that can select, concentrate and possibly even organize molecules into polymers and other macromolecular structures. Here we review experimental and theoretical approaches to chiral selection on inorganic crystalline surfaces - research that is poised to open this new frontier in understanding and exploiting surface-molecule interactions.

  2. Field induced spin chirality and chirality switching in magnetic multilayers

    NASA Astrophysics Data System (ADS)

    Tartakovskaya, Elena V.

    2015-05-01

    The physical origin of the field-induced spin chirality experimentally observed in rare earth multilayers is determined. It is shown that the effect is possible due to the interplay between solid-state exchange interactions (the Ruderman-Kittel-Kasuya-Yosida and the Dsyaloshinsky-Moriya interactions), the external magnetic field and a special confinement of magnetic constituents. The presented model describes a certain temperature dependence of the chirality factor in agreement with experimental data and opens a new way to design nanostructured objects with predicted handedness.

  3. Chiral Magnetic Effect in Hydrodynamic Approximation

    NASA Astrophysics Data System (ADS)

    Zakharov, Valentin I.

    We review derivations of the chiral magnetic effect (ChME) in hydrodynamic approximation. The reader is assumed to be familiar with the basics of the effect. The main challenge now is to account for the strong interactions between the constituents of the fluid. The main result is that the ChME is not renormalized: in the hydrodynamic approximation it remains the same as for non-interacting chiral fermions moving in an external magnetic field. The key ingredients in the proof are general laws of thermodynamics and the Adler-Bardeen theorem for the chiral anomaly in external electromagnetic fields. The chiral magnetic effect in hydrodynamics represents a macroscopic manifestation of a quantum phenomenon (chiral anomaly). Moreover, one can argue that the current induced by the magnetic field is dissipation free and talk about a kind of "chiral superconductivity". More precise description is a quantum ballistic transport along magnetic field taking place in equilibrium and in absence of a driving force. The basic limitation is the exact chiral limit while temperature—excitingly enough—does not seemingly matter. What is still lacking, is a detailed quantum microscopic picture for the ChME in hydrodynamics. Probably, the chiral currents propagate through lower-dimensional defects, like vortices in superfluid. In case of superfluid, the prediction for the chiral magnetic effect remains unmodified although the emerging dynamical picture differs from the standard one.

  4. Dzyaloshinskii-Moriya interaction and chiral magnetism in 3d-5d zigzag chains: Tight-binding model and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Kashid, Vikas; Schena, Timo; Zimmermann, Bernd; Mokrousov, Yuriy; Blügel, Stefan; Shah, Vaishali; Salunke, H. G.

    2014-08-01

    We investigate the chiral magnetic order in freestanding planar 3d-5d biatomic metallic chains (3d: Fe, Co; 5d: Ir, Pt, Au) using first-principles calculations based on density functional theory. We find that the antisymmetric exchange interaction, commonly known as the Dzyaloshinskii-Moriya interaction (DMI), contributes significantly to the energetics of the magnetic structure. For the Fe-Pt and Co-Pt chains, the DMI can compete with the isotropic Heisenberg-type exchange interaction and the magnetocrystalline anisotropy energy, and for both cases a homogeneous left-rotating cycloidal chiral spin-spiral with a wavelength of 51 Å and 36 Å, respectively, was found. The sign of the DMI, which determines the handedness of the magnetic structure, changes in the sequence of the 5d atoms Ir(+), Pt(-), Au(+). We use the full-potential linearized augmented plane wave method and perform self-consistent calculations of homogeneous spin spirals, calculating the DMI by treating the effect of spin-orbit interaction in the basis of the spin-spiral states in first-order perturbation theory. To gain insight into the DMI results of our ab initio calculations, we develop a minimal tight-binding model of three atoms and four orbitals that contains all essential features: the spin canting between the magnetic 3d atoms, the spin-orbit interaction at the 5d atoms, and the structure inversion asymmetry facilitated by the triangular geometry. We find that spin canting can lead to spin-orbit active eigenstates that split in energy due to the spin-orbit interaction at the 5d atom. We show that the sign and strength of the hybridization, the bonding or antibonding character between d orbitals of the magnetic and nonmagnetic sites, the bandwidth, and the energy difference between occupied and unoccupied states of different spin projection determine the sign and strength of the DMI. The key features observed in the trimer model are also found in the first-principles results.

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

    NASA Astrophysics Data System (ADS)

    Matei, Iulia; Ionescu, Sorana; Hillebrand, Mihaela

    2012-10-01

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

  6. Chirality and protein folding

    NASA Astrophysics Data System (ADS)

    Kwiecinska, Joanna I.; Cieplak, Marek

    2005-05-01

    There are several simple criteria of folding to a native state in model proteins. One of them involves crossing of a threshold value of the root mean square deviation distance away from the native state. Another checks whether all native contacts are established, i.e. whether the interacting amino acids come closer than some characteristic distance. We use Go-like models of proteins and show that such simple criteria may prompt one to declare folding even though fragments of the resulting conformations have a wrong sense of chirality. We propose that a better condition of folding should augment the simple criteria with the requirement that most of the local values of the chirality should be nearly native. The kinetic discrepancy between the simple and compound criteria can be substantially reduced in the Go-like models by providing the Hamiltonian with a term which favours native values of the local chirality. We study the effects of this term as a function of its amplitude and compare it to other models such as ones with side groups and ones with angle-dependent potentials.

  7. Percolation features of cooperative Jahn-Teller systems: Ising EFT framework

    NASA Astrophysics Data System (ADS)

    Moujaes, Elie A.; Abou Ghantous, Michel

    2014-08-01

    Elastic exchange between two nearest Jahn-Teller (JT) centers in two or three dimensional dense crystals, can give an ordered macroscopic distortion known as cooperative JT effect (CJTE). A very diluted JT crystal does not show this effect. In the dynamic JT effect (DJTE), tunneling between different equivalent distorted wells has a pronounced influence on the CJTE. We investigate this phenomenon using a progressive increase in the concentration of these centers in the JT crystals, based on a bond percolation vector spin analogy technique within the framework of effective field theory (EFT). Mean field theory (MFT) was extensively used in previous studies of CJTE; however it neither includes correlation between JT centers in the lattice due to the complexity of the distortion field in the crystal nor the effect of tunneling between wells. We resort to an alternative procedure, by describing a JT center as a pseudo-spin vector , induced to represent the degenerate JT-distorted states, where two nearest JT centers interact via an elastic exchange described by an Ising type spin interaction. The DJTE is considered to be similar to an elastic transverse field term in the Hamiltonian portraying the effect of tunneling between equivalent wells in the adiabatic potential energy surface (APES). We will be particularly discussing S = 1, S = 3/2 and S = 5/2 spin cases, where 2 S + 1 wells in the APES are present and what JT systems they actually represent, with a percolative mechanism applied to the interactions between different JT centers. The different lattices are distinguished by their coordination numbers. Strong tunneling effects can suppress the CJTE and lead to a new state of criticality. Generalizations to higher spin systems will be obtained using a scaling technique. For the relevant distortions, we determine single site correlations, the macroscopic average distortion describing a structural phase transition and the elastic isothermal susceptibility as a

  8. Chiral Dynamics 2006

    NASA Astrophysics Data System (ADS)

    Ahmed, Mohammad W.; Gao, Haiyan; Weller, Henry R.; Holstein, Barry

    2007-10-01

    of singular potentials and power counting / M.P. Valderrrama. The challenge of calculating Baryon-Baryon scattering from lattice QCD / S.R. Beane. Precise absolute np scattering cross section and the charged [Pie symbol] NN coupling constant / S. E. Vigdor. Probing hadronic parity violation using few nucleon systems / S.A. Page. Extracting the neutron-neutron scattering length from neutron-deuteron breakup / C.R. Howell. Extraction of [equationl] from [Pie symbol]-d --> [equation] / A. Grudestig. The three- and four-body system with large scattering length / L. Platter. 3N and 4N systems and the Ay puzzle / T. Clegg. Recent progress in nuclear lattice simulations with effective field theory / D. Lee. Few-body studies at KVI / J.G. Messchendorp. Results of three nucleon experiments from RIKEN / K. Sekiguchi. A new opportunity to measure the total photoabsorption cross section of helium / P. T. Debevec. Three-body photodisintegration of 3He with double polarizations / X. Zong. Large two-pion exchange contributions to the pp --> pp[Pie symbol]0 reaction / F. Myhrer. Towards a systematic theory of nuclear forces / E. Epelbaum. Ab initio calculations of eletromagnetic reactions in light nuclei / W. Leidemann. Electron scattering from a polarized deuterium target at BLAST / R. Fatemi. Neutron-neutron scattering length from the reaction [equation] / V. Lensky. Renormalization group analysis of nuclear current operators / S.X. Nakamura. Recent results and future plans at MAX-LAB / K.G. Fissum. Nucleon polarizabilities from deutron compton scattering, and its lessons for chiral power counting / H. W. Grie hammer. Compton scattering on HE-3 / D. Choudhury -- pt. D. Hadron structure and Meson-Baryon interactions. Summary of the working group on Hadron structure and Meson-Baryon interactions / G. Feldman and T.R. Hemmert. Finite volume effects: lattice meets CHPT / G. Schierholz. Lattice discretization errors in chiral effective field theories / B.C. Tiburzi. SU(3)-breaking

  9. Chiral symmetry in rotating systems

    NASA Astrophysics Data System (ADS)

    Malik, Sham S.

    2015-08-01

    The triaxial rotating system at critical angular momentum I ≥Iband exhibits two enatiomeric (the left- and right-handed) forms. These enatiomers are related to each other through dynamical chiral symmetry. The chiral symmetry in rotating system is defined by an operator χ ˆ =Rˆy (π) T ˆ, which involves the product of two distinct symmetries, namely, continuous and discrete. Therefore, new guidelines are required for testing its commutation with the system Hamiltonian. One of the primary objectives of this study is to lay down these guidelines. Further, the possible impact of chiral symmetry on the geometrical arrangement of angular momentum vectors and investigation of observables unique to nuclear chiral-twins is carried out. In our model, the angular momentum components (J1, J2, J3) occupy three mutually perpendicular axes of triaxial shape and represent a non-planar configuration. At certain threshold energy, the equation of motion in angular momentum develops a second order phase transition and as a result two distinct frames (i.e., the left- and right-handed) are formed. These left- and right-handed states correspond to a double well system and are related to each other through chiral operator. At this critical angular momentum, the centrifugal and Coriolis interactions lower the barrier in the double well system. The tunneling through the double well starts, which subsequently lifts the degeneracy among the rotational states. A detailed analysis of the behavior of rotational energies, spin-staggering, and the electromagnetic transition probabilities of the resulting twin-rotational bands is presented. The ensuing model results exhibit similarities with many observed features of the chiral-twins. An advantage of our formalism is that it is quite simple and it allows us to pinpoint the understanding of physical phenomenon which lead to chiral-twins in rotating systems.

  10. Chiral mirrors

    SciTech Connect

    Plum, Eric; Zheludev, Nikolay I.

    2015-06-01

    Mirrors are used in telescopes, microscopes, photo cameras, lasers, satellite dishes, and everywhere else, where redirection of electromagnetic radiation is required making them arguably the most important optical component. While conventional isotropic mirrors will reflect linear polarizations without change, the handedness of circularly polarized waves is reversed upon reflection. Here, we demonstrate a type of mirror reflecting one circular polarization without changing its handedness, while absorbing the other. The polarization-preserving mirror consists of a planar metasurface with a subwavelength pattern that cannot be superimposed with its mirror image without being lifted out of its plane, and a conventional mirror spaced by a fraction of the wavelength from the metasurface. Such mirrors enable circularly polarized lasers and Fabry-Pérot cavities with enhanced tunability, gyroscopic applications, polarization-sensitive detectors of electromagnetic waves, and can be used to enhance spectroscopies of chiral media.

  11. Generation of chiral spin state by quantum simulation

    NASA Astrophysics Data System (ADS)

    Tanamoto, Tetsufumi

    2016-06-01

    Chirality of materials in nature appears when there are asymmetries in their lattice structures or interactions in a certain environment. Recent development of quantum simulation technology has enabled the manipulation of qubits. Accordingly, chirality can be realized intentionally rather than passively observed. Here we theoretically provide simple methods to create a chiral spin state in a spin-1/2 qubit system on a square lattice. First, we show that switching on and off the Heisenberg and X Y interactions produces the chiral interaction directly in the effective Hamiltonian without controlling local fields. Moreover, when initial states of spin qubits are appropriately prepared, we prove that the chirality with desirable phase is dynamically obtained. Finally, even for the case where switching on and off the interactions is infeasible and the interactions are always on, we show that, by preparing an asymmetric initial qubit state, the chirality whose phase is π /2 is dynamically generated.

  12. Administrative simplification: adoption of standards for health care electronic funds transfers (EFTs) and remittance advice. Interim final rule with comment period.

    PubMed

    2012-01-10

    This interim final rule with comment period implements parts of section 1104 of the Affordable Care Act which requires the adoption of a standard for electronic funds transfers (EFT). It defines EFT and explains how the adopted standards support and facilitate health care EFT transmissions. PMID:22359791

  13. Chiral drag force

    NASA Astrophysics Data System (ADS)

    Rajagopal, Krishna; Sadofyev, Andrey V.

    2015-10-01

    We provide a holographic evaluation of novel contributions to the drag force acting on a heavy quark moving through strongly interacting plasma. The new contributions are chiral in the sense that they act in opposite directions in plasmas containing an excess of left- or right-handed quarks. The new contributions are proportional to the coefficient of the axial anomaly, and in this sense also are chiral. These new contributions to the drag force act either parallel to or antiparallel to an external magnetic field or to the vorticity of the fluid plasma. In all these respects, these contributions to the drag force felt by a heavy quark are analogous to the chiral magnetic effect (CME) on light quarks. However, the new contribution to the drag force is independent of the electric charge of the heavy quark and is the same for heavy quarks and antiquarks, meaning that these novel effects do not in fact contribute to the CME current. We show that although the chiral drag force can be non-vanishing for heavy quarks that are at rest in the local fluid rest frame, it does vanish for heavy quarks that are at rest in a suitably chosen frame. In this frame, the heavy quark at rest sees counterpropagating momentum and charge currents, both proportional to the axial anomaly coefficient, but feels no drag force. This provides strong concrete evidence for the absence of dissipation in chiral transport, something that has been predicted previously via consideration of symmetries. Along the way to our principal results, we provide a general calculation of the corrections to the drag force due to the presence of gradients in the flowing fluid in the presence of a nonzero chemical potential. We close with a consequence of our result that is at least in principle observable in heavy ion collisions, namely an anticorrelation between the direction of the CME current for light quarks in a given event and the direction of the kick given to the momentum of all the heavy quarks and

  14. Chiral Thirring–Wess model

    SciTech Connect

    Rahaman, Anisur

    2015-10-15

    The vector type of interaction of the Thirring–Wess model was replaced by the chiral type and a new model was presented which was termed as chiral Thirring–Wess model in Rahaman (2015). The model was studied there with a Faddeevian class of regularization. Few ambiguity parameters were allowed there with the apprehension that unitarity might be threatened like the chiral generation of the Schwinger model. In the present work it has been shown that no counter term containing the regularization ambiguity is needed for this model to be physically sensible. So the chiral Thirring–Wess model is studied here without the presence of any ambiguity parameter and it has been found that the model not only remains exactly solvable but also does not lose the unitarity like the chiral generation of the Schwinger model. The phase space structure and the theoretical spectrum of this new model have been determined in the present scenario. The theoretical spectrum is found to contain a massive boson with ambiguity free mass and a massless boson.

  15. Chirality and gravitational parity violation.

    PubMed

    Bargueño, Pedro

    2015-06-01

    In this review, parity-violating gravitational potentials are presented as possible sources of both true and false chirality. In particular, whereas phenomenological long-range spin-dependent gravitational potentials contain both truly and falsely chiral terms, it is shown that there are models that extend general relativity including also coupling of fermionic degrees of freedom to gravity in the presence of torsion, which give place to short-range truly chiral interactions similar to that usually considered in molecular physics. Physical mechanisms which give place to gravitational parity violation together with the expected size of the effects and their experimental constraints are discussed. Finally, the possible role of parity-violating gravity in the origin of homochirality and a road map for future research works in quantum chemistry is presented. PMID:25919812

  16. Nuclear chiral dynamics and thermodynamics

    NASA Astrophysics Data System (ADS)

    Holt, Jeremy W.; Kaiser, Norbert; Weise, Wolfram

    2013-11-01

    This presentation reviews an approach to nuclear many-body systems based on the spontaneously broken chiral symmetry of low-energy QCD. In the low-energy limit, for energies and momenta small compared to a characteristic symmetry breaking scale of order 1 GeV, QCD is realized as an effective field theory of Goldstone bosons (pions) coupled to heavy fermionic sources (nucleons). Nuclear forces at long and intermediate distance scales result from a systematic hierarchy of one- and two-pion exchange processes in combination with Pauli blocking effects in the nuclear medium. Short distance dynamics, not resolved at the wavelengths corresponding to typical nuclear Fermi momenta, are introduced as contact interactions between nucleons. Apart from a set of low-energy constants associated with these contact terms, the parameters of this theory are entirely determined by pion properties and low-energy pion-nucleon scattering observables. This framework (in-medium chiral perturbation theory) can provide a realistic description of both isospin-symmetric nuclear matter and neutron matter, with emphasis on the isospin-dependence determined by the underlying chiral NN interaction. The importance of three-body forces is emphasized, and the role of explicit Δ(1232)-isobar degrees of freedom is investigated in detail. Nuclear chiral thermodynamics is developed and a calculation of the nuclear phase diagram is performed. This includes a successful description of the first-order phase transition from a nuclear Fermi liquid to an interacting Fermi gas and the coexistence of these phases below a critical temperature Tc. Density functional methods for finite nuclei based on this approach are also discussed. Effective interactions, their density dependence and connections to Landau Fermi liquid theory are outlined. Finally, the density and temperature dependences of the chiral (quark) condensate are investigated.

  17. Spontaneous 1 chiral symmetry breaking in model bacterial suspensions

    NASA Astrophysics Data System (ADS)

    Breier, Rebekka; Selinger, Robin; Ciccotti, Giovanni; Herminghaus, Stephan; Mazza, Marco G.

    2015-03-01

    Chiral symmetry breaking is ubiquitous in biological systems, from DNA to bacterial suspensions. A key unresolved problem is how chiral structures may spontaneously emerge from achiral interactions. We study a simple model of bacterial suspensions in three dimensions that effectively incorporates active motion and hydrodynamic interactions. We perform large-scale molecular dynamics simulations (up to 106 particles) and describe stable (or long-lived metastable) collective states that exhibit chiral organization although the interactions are achiral. We elucidate under which conditions these chiral states will emerge and grow to large scales. We also study a related equilibrium model that clarifies the role of orientational fluctuations.

  18. Emotional Freedom Technique (EFT) Effects on Psychoimmunological Factors of Chemically Pulmonary Injured Veterans.

    PubMed

    Babamahmoodi, Abdolreza; Arefnasab, Zahra; Noorbala, Ahmad Ali; Ghanei, Mostafa; Babamahmoodie, Farhang; Alipour, Ahmad; Alimohammadian, Mohammad Hossein; Riazi Rad, Farhad; Khaze, Vahid; Darabi, Haideh

    2015-02-01

    Emotional Freedom Technique (EFT) as a new therapeutic technique in energy psychology has positive effects on psychological and physiological symptoms, and quality of life. In this research we studied the effect of this treatment on immunological factors. This study tested whether 8-week group sessions of EFT (compared to a wait-list control group) with emphasis on patient's respiratory, psychological and immunological problems in chemically pulmonary injured veterans (N=28) can affect on immunological and psychological factors. Mixed effect linear models indicated that EFT improved mental health (F=79.24, p=0) and health-related quality of life (F=13.89, p=0.001), decreased somatic symptoms (F=5.81, p=0.02), anxiety/insomnia (F=24.03, p<0.001), social dysfunction (F=21.59, p<0.001), frequency and severity of respiratory symptoms (F=20.38, p<0.001), and increased lymphocyte proliferation with nonspecific mitogens Concanavalin A (Con A) (F=14.32, p=0.001) and Phytohemagglutinin (PHA) (F=12.35, p=0.002), and peripheral blood IL-17 (F=9.11, p=0.006). This study provides an initial indication that EFT may be a new therapeutic approach for improving psychological and immunological factors. PMID:25530137

  19. 77 FR 22067 - Proposed Collection of Information: Trace Request for Electronic Funds Transfer (EFT) Payment...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-12

    ... Financial Management Service solicits comments concerning forms FMS-150.1 ``Trace Request for Electronic Funds Transfer Payment'' and FMS-150.2 ``Trace Request Direct Deposit.'' DATES: Written comments should...: Trace Request for EFT Payment; and Trace Request Direct Deposit. OMB Number: 1510-0045. Form Number:...

  20. Tritium β decay in chiral effective field theory

    DOE PAGESBeta

    Baroni, A.; Girlanda, L.; Kievsky, A.; Marcucci, L. E.; Schiavilla, R.; Viviani, M.

    2016-08-18

    We evaluate the Fermi and Gamow-Teller (GT) matrix elements in tritiummore » $$\\beta$$-decay by including in the charge-changing weak current the corrections up to one loop recently derived in nuclear chiral effective field theory ($$\\chi$$ EFT). The trinucleon wave functions are obtained from hyperspherical-harmonics solutions of the Schroedinger equation with two- and three-nucleon potentials corresponding to either $$\\chi$$ EFT (the N3LO/N2LO combination) or meson-exchange phenomenology (the AV18/UIX combination). We find that contributions due to loop corrections in the axial current are, in relative terms, as large as (and in some cases, dominate) those from one-pion exchange, which nominally occur at lower order in the power counting. Furthermore, we also provide values for the low-energy constants multiplying the contact axial current and three-nucleon potential, required to reproduce the experimental GT matrix element and trinucleon binding energies in the N3LO/N2LO and AV18/UIX calculations.« less

  1. Introduction to chiral symmetry

    SciTech Connect

    Koch, V.

    1996-01-08

    These lectures are an attempt to a pedagogical introduction into the elementary concepts of chiral symmetry in nuclear physics. Effective chiral models such as the linear and nonlinear sigma model will be discussed as well as the essential ideas of chiral perturbation theory. Some applications to the physics of ultrarelativistic heavy ion collisions will be presented.

  2. Influence of the vector interaction and an external magnetic field on the isentropes near the chiral critical end point

    NASA Astrophysics Data System (ADS)

    Costa, Pedro

    2016-06-01

    The location of the critical end point (CEP) and the isentropic trajectories in the QCD phase diagram are investigated. We use the (2 +1 ) Nambu-Jona-Lasinio model with the Polyakov loop coupling for different scenarios, namely by imposing zero strange quark density, which is the case in the ultrarelativistic heavy ion collisions, and β equilibrium. The influence of strong magnetic fields and of the vector interaction on the isentropic trajectories around the CEP is discussed. It is shown that the vector interaction and the magnetic field, having opposite effects on the first-order transition, affect the isentropic trajectories differently: as the vector interaction increases, the first-order transition becomes weaker and the isentropes become smoother; when a strong magnetic field is considered, the first-order transition is strengthened and the isentropes are pushed to higher temperatures. No focusing of isentropes in region towards the CEP is seen.

  3. Molecular modeling and spectroscopic studies on the interaction of the chiral drug venlafaxine hydrochloride with bovine serum albumin

    NASA Astrophysics Data System (ADS)

    Shahabadi, Nahid; Hadidi, Saba

    2014-03-01

    This study was designed to examine the interaction of racemic antidepressant drug "S,R-venlafaxine hydrochloride (VEN)" with bovine serum albumin (BSA) under physiological conditions. The mechanism of interaction was studied by spectroscopic techniques combination with molecular modeling. Stern-Volmer analysis of fluorescence quenching data shows the presence of the static quenching mechanism. The thermodynamic parameters indicated that the hydrogen bonding and weak van der Waals interactions are the predominant intermolecular forces stabilizing the complex. The number of binding sites (n) was calculated. Through the site marker competitive experiment, VEN was confirmed to be located in subdomain IIIA of BSA. The binding distance (r = 4.93 nm) between the donor BSA and acceptor VEN was obtained according to Förster's non-radiative energy transfer theory. According to UV-vis spectra and CD data binding of VEN leaded to conformational changes of BSA. Molecular docking simulations of S and R-VEN revealed that both isomers have similar interaction and the same binding sites, from this point of view S and R isomers are equal.

  4. Enantioselective Recognition for Many Different Kinds of Chiral Guests by One Chiral Receptor Based on Tetraphenylethylene Cyclohexylbisurea.

    PubMed

    Xiong, Jia-Bin; Xie, Wen-Zhao; Sun, Jian-Ping; Wang, Jin-Hua; Zhu, Zhi-Hua; Feng, Hai-Tao; Guo, Dong; Zhang, Hui; Zheng, Yan-Song

    2016-05-01

    A neutral chiral receptor based on TPE cyclohexylbisurea was synthesized and could discriminate the enantiomers of many different kinds of chiral reagents, including chiral acidic compounds, basic compounds, amino acids, and even neutral alcohols. The (1)H NMR spectra disclosed that the ability of chiral recognition could be ascribed to the multiple hydrogen bonds and CH-π interactions between the TPE urea receptor and the enantiomer of the chiral guest, which led to the selective aggregation of the receptor with one of the two enantiomers. This result exhibited a great potential in enantiomer discernment and high-throughput analysis of enantiomer composition of these chiral analytes by one chiral AIE molecule. PMID:27032054

  5. Control of normal chirality at hexagonal interfaces

    SciTech Connect

    Haraldsen, Jason T; Fishman, Randy Scott

    2010-01-01

    We study the net chirality created by the Dzyaloshinkii-Moriya interaction (DMI) at the boundary between hexagonal layers of magnetic and non-magnetic materials. It is shown that another mechanism besides elastic torsion is required to understand the change in chirality observed in Dy/Y multilayers during field-cooling. The paper shows that due to the overlap between magnetic and non-magnetic atoms, interfacial steps may produce a DMI normal to the interface in magnetic heterostructures.

  6. Intelligent Chiral Sensing Based on Supramolecular and Interfacial Concepts

    PubMed Central

    Ariga, Katsuhiko; Richards, Gary J.; Ishihara, Shinsuke; Izawa, Hironori; Hill, Jonathan P.

    2010-01-01

    Of the known intelligently-operating systems, the majority can undoubtedly be classed as being of biological origin. One of the notable differences between biological and artificial systems is the important fact that biological materials consist mostly of chiral molecules. While most biochemical processes routinely discriminate chiral molecules, differentiation between chiral molecules in artificial systems is currently one of the challenging subjects in the field of molecular recognition. Therefore, one of the important challenges for intelligent man-made sensors is to prepare a sensing system that can discriminate chiral molecules. Because intermolecular interactions and detection at surfaces are respectively parts of supramolecular chemistry and interfacial science, chiral sensing based on supramolecular and interfacial concepts is a significant topic. In this review, we briefly summarize recent advances in these fields, including supramolecular hosts for color detection on chiral sensing, indicator-displacement assays, kinetic resolution in supramolecular reactions with analyses by mass spectrometry, use of chiral shape-defined polymers, such as dynamic helical polymers, molecular imprinting, thin films on surfaces of devices such as QCM, functional electrodes, FET, and SPR, the combined technique of magnetic resonance imaging and immunoassay, and chiral detection using scanning tunneling microscopy and cantilever technology. In addition, we will discuss novel concepts in recent research including the use of achiral reagents for chiral sensing with NMR, and mechanical control of chiral sensing. The importance of integration of chiral sensing systems with rapidly developing nanotechnology and nanomaterials is also emphasized. PMID:22163577

  7. Chirality in nonlinear optics.

    PubMed

    Haupert, Levi M; Simpson, Garth J

    2009-01-01

    The past decade has witnessed the emergence of new measurement approaches and applications for chiral thin films and materials enabled by the observations of the high sensitivity of second-order nonlinear optical measurements to chirality. In thin films, the chiral response to second harmonic generation and sum frequency generation (SFG) from a single molecular monolayer is often comparable with the achiral response. The chiral specificity also allows for symmetry-allowed SFG in isotropic chiral media, confirming predictions made approximately 50 years ago. With these experimental demonstrations in hand, an important challenge is the construction of intuitive predictive models that allow the measured chiral response to be meaningfully related back to molecular and macromolecular structure. This review defines and considers three distinct mechanisms for chiral effects in uniaxially oriented assemblies: orientational chirality, intrinsic chirality, and isotropic chirality. The role of each is discussed in experimental and computational studies of bacteriorhodopsin films, binaphthol, and collagen. Collectively, these three model systems support a remarkably simple framework for quantitatively recovering the measured chiral-specific activity. PMID:19046125

  8. Chirality in Nonlinear Optics

    NASA Astrophysics Data System (ADS)

    Haupert, Levi M.; Simpson, Garth J.

    2009-05-01

    The past decade has witnessed the emergence of new measurement approaches and applications for chiral thin films and materials enabled by the observations of the high sensitivity of second-order nonlinear optical measurements to chirality. In thin films, the chiral response to second harmonic generation and sum frequency generation (SFG) from a single molecular monolayer is often comparable with the achiral response. The chiral specificity also allows for symmetry-allowed SFG in isotropic chiral media, confirming predictions made ˜50 years ago. With these experimental demonstrations in hand, an important challenge is the construction of intuitive predictive models that allow the measured chiral response to be meaningfully related back to molecular and macromolecular structure. This review defines and considers three distinct mechanisms for chiral effects in uniaxially oriented assemblies: orientational chirality, intrinsic chirality, and isotropic chirality. The role of each is discussed in experimental and computational studies of bacteriorhodopsin films, binaphthol, and collagen. Collectively, these three model systems support a remarkably simple framework for quantitatively recovering the measured chiral-specific activity.

  9. CAPILLARY ELECTROPHORESIS FOR ENANTIOMER SEPARATION AND MEASUREMENT OF ENANTIOSELECTIVITY OF CHIRAL POLLUTANTS IN THE ENVIRONMENT

    EPA Science Inventory

    Chiral pollutants exist as 2 species, -- enantiomers - that have identical physical and chemical properties except when they interact with enzymes or other chiral molecules; then they usually react selectively. This enantioselectivity results in different rates of microbial trans...

  10. Chirally symmetric but confining dense, cold matter

    SciTech Connect

    Glozman, L. Ya.; Wagenbrunn, R. F.

    2008-03-01

    The folklore tradition about the QCD phase diagram is that at the chiral restoration phase transition at finite density hadrons are deconfined and there appears the quark matter. We address this question within the only known exactly solvable confining and chirally symmetric model. It is postulated within this model that there exists linear Coulomb-like confining interaction. The chiral symmetry breaking and the quark Green function are obtained from the Schwinger-Dyson (gap) equation while the color-singlet meson spectrum results from the Bethe-Salpeter equation. We solve this model at T=0 and finite chemical potential {mu} and obtain a clear chiral restoration phase transition at the critical value {mu}{sub cr}. Below this value the spectrum is similar to the previously obtained one at {mu}=0. At {mu}>{mu}{sub cr} the quarks are still confined and the physical spectrum consists of bound states which are arranged into a complete set of exact chiral multiplets. This explicitly demonstrates that a chirally symmetric matter consisting of confined but chirally symmetric hadrons at finite chemical potential is also possible in QCD. If so, there must be nontrivial implications for astrophysics.

  11. Chirally symmetric but confining dense, cold matter

    NASA Astrophysics Data System (ADS)

    Glozman, L. Ya.; Wagenbrunn, R. F.

    2008-03-01

    The folklore tradition about the QCD phase diagram is that at the chiral restoration phase transition at finite density hadrons are deconfined and there appears the quark matter. We address this question within the only known exactly solvable confining and chirally symmetric model. It is postulated within this model that there exists linear Coulomb-like confining interaction. The chiral symmetry breaking and the quark Green function are obtained from the Schwinger-Dyson (gap) equation while the color-singlet meson spectrum results from the Bethe-Salpeter equation. We solve this model at T=0 and finite chemical potential μ and obtain a clear chiral restoration phase transition at the critical value μcr. Below this value the spectrum is similar to the previously obtained one at μ=0. At μ>μcr the quarks are still confined and the physical spectrum consists of bound states which are arranged into a complete set of exact chiral multiplets. This explicitly demonstrates that a chirally symmetric matter consisting of confined but chirally symmetric hadrons at finite chemical potential is also possible in QCD. If so, there must be nontrivial implications for astrophysics.

  12. μ → e γ in the 2HDM: an exercise in EFT

    NASA Astrophysics Data System (ADS)

    Davidson, Sacha

    2016-05-01

    The 2 Higgs Doublet Model of type III has renormalisable Lepton Flavour-Violating couplings, and its one- and two-loop ("Barr-Zee") contributions to μ → e γ are known. In the decoupling limit, where the mass scale M of the second doublet is much greater than the electroweak scale, the model can be parametrised with an Effective Field Theory (EFT) containing dimension-six operators. The 1/M^2 terms of the exact calculation are reproduced in the EFT, provided that the four-fermion operator basis below the weak scale is enlarged with respect to the SU(2)-invariant Buchmuller-Wyler list. It is found that the dominant two-loop "Barr-Zee" contributions arise mostly in two-loop matching and running, and that dimension-eight operators might be numerically relevant.

  13. Orion Exploration Flight Test-l (EFT -1) Absolute Navigation Design

    NASA Technical Reports Server (NTRS)

    Sud, Jastesh; Gay, Robert; Holt, Greg; Zanetti, Renato

    2014-01-01

    Scheduled to launch in September 2014 atop a Delta IV Heavy from the Kennedy Space Center, the Orion Multi-Purpose-Crew-Vehicle (MPCV's) maiden flight dubbed "Exploration Flight Test -1" (EFT-1) intends to stress the system by placing the uncrewed vehicle on a high-energy parabolic trajectory replicating conditions similar to those that would be experienced when returning from an asteroid or a lunar mission. Unique challenges associated with designing the navigation system for EFT-1 are presented in the narrative with an emphasis on how redundancy and robustness influenced the architecture. Two Inertial Measurement Units (IMUs), one GPS receiver and three barometric altimeters (BALTs) comprise the navigation sensor suite. The sensor data is multiplexed using conventional integration techniques and the state estimate is refined by the GPS pseudorange and deltarange measurements in an Extended Kalman Filter (EKF) that employs the UDUT decomposition approach. The design is substantiated by simulation results to show the expected performance.

  14. Estimating Orion Heat Shield Failure Due To Ablator Cracking During The EFT-1 Mission

    NASA Technical Reports Server (NTRS)

    Vander Kam, Jeremy C.; Gage, Peter

    2016-01-01

    The Orion EFT-1 heatshield suffered from two major certification challenges: First, the mechanical properties used in design were not evident in the flight hardware and second, the flight article itself cracked during fabrication. The combination of these events motivated the Orion Program to pursue an engineering-level Probabilistic Risk Assessment (PRA) as part of heatshield certification rationale. The PRA provided loss of Mission (LOM) likelihoods considering the probability of a crack occurring during the mission and the likelihood of subsequent structure over-temperature. The methods and input data for the PRA are presented along with a discussion of the test data used to anchor the results. The Orion program accepted an EFT-1 Loss of Vehicle (LOV) risk of 1-in-160,000 due to in-mission Avcoat cracking based on the results of this analysis. Conservatisms in the result, along with future considerations for Exploration Missions (EM) are also addressed.

  15. Controlling and imaging chiral spin textures

    NASA Astrophysics Data System (ADS)

    Chen, Gong

    Chirality in magnetic materials is fundamentally interesting and holds potential for logic and memory applications. Using spin-polarized low-energy electron microscopy at National Center for Electron Microscopy, we recently observed chiral domain walls in thin films. We developed ways to tailor the Dzyaloshinskii-Moriya interaction, which drives the chirality, by interface engineering and by forming ternary superlattices. We find that spin-textures can be switched between left-handed, right-handed, cycloidal, helical and mixed domain wall structures by controlling uniaxial strain in magnetic films. We also demonstrate an experimental approach to stabilize skyrmions in magnetic multilayers without external magnetic field. These results exemplify the rich physics of chirality associated with interfaces of magnetic materials

  16. Drag suppression in anomalous chiral media

    NASA Astrophysics Data System (ADS)

    Sadofyev, Andrey V.; Yin, Yi

    2016-06-01

    We study a heavy impurity moving longitudinal with the direction of an external magnetic field in an anomalous chiral medium. Such system would carry a nondissipative current of chiral magnetic effect associated with the anomaly. We show, by generalizing Landau's criterion for superfluidity, that the "anomalous component" which gives rise to the anomalous transport will not contribute to the drag experienced by an impurity. We argue on a very general basis that those systems with a strong magnetic field would exhibit an interesting transport phenomenon—the motion of the heavy impurity is frictionless, in analogy to the case of a superfluid. We demonstrate and confirm our general results with two complementary examples: weakly coupled chiral fermion gases and strongly interacting chiral liquids.

  17. Easily Prepared Chiral Scorpionates: Tris(2-oxazolinyl)boratoiridium(l) Compounds and Their Interactions with MeOtf

    SciTech Connect

    Baird, Benjamin; Pawlikowski, Andrew V.; Su, Jiachun; Wiench, Jerzy W.; Pruski, Marek; Sadow, Aaron D.

    2008-10-16

    Optically active C{sub 3}-symmetric monoanionic ligands are uncommon in organometallic chemistry. Here we describe the synthesis of readily prepared tris(4S-isopropyl-2-oxazolinyl)phenylborate [To{sup P}] and fluxional, zwitterionic four- and five-coordinate iridium(I) compounds [Ir(To{sup P})-({eta}{sup 4}-C{sub 8}H{sub 12})] (4) and [?r(TO{sup P})(CO){sub 2} (5)]. The highly fluxional nature of 4 and 5 makes structural assignment difficult, and the interaction between the iridium(I) center and the [To{sup P}] ligand is established by solid-state and solution {sup 15}N NMR methods that permit the direct comparison between solution and solid-state structures. Although iridium cyclooctadiene 4 is a mixture of four- and five-coordinate species, the dicarbonyl 5 is only the five-coordinate isomer. The addition of electrophiles MeOTf and Mel provides the oxazoline N-methylated product rather than the iridium methyl oxidative addition product. N-Methylation was unequivocally proven by through-bond coupling observed in {sup 1}H-{sup 15}N HMBC experiments.

  18. Chiral sensing by nonchiral tetrapyrroles.

    PubMed

    Labuta, Jan; Hill, Jonathan P; Ishihara, Shinsuke; Hanyková, Lenka; Ariga, Katsuhiko

    2015-03-17

    host Bz2OxP that undergoes 1:1 host-guest interactions, cannot be protonated (and so does not suffer drawbacks due to tautomeric processes), and can interact solely through hydrogen bonding with a much wider range of analyte types, including acids, esters, amines (including amino acid derivatives), and ketones, for the determination of their ee at room temperature. Chiral sensing, in this case, can be understood by considering the breakdown of the host's symmetry when it interacts with a chiral guest under fast exchange. Furthermore, chirality discrimination (i.e., which is the major enantiomer in a sample) can be performed by addition of a small amount of one of the known enantiomers. Adaptation of a symmetrical molecule for ee sensing presents certain intrinsic advantages, including identical binding constants of each enantiomer. Our results indicate that other symmetrical molecules might also be useful as NMR probes of enantiopurity. These systems could provide insights into important chirality principles such as majority rule, intermolecular chirality transfer, and asymmetric reactions. The Bz2OxP system is also of note from the point of view that it does not rely on the formation of diastereomers. PMID:25734700

  19. Planar plasmonic chiral nanostructures.

    PubMed

    Zu, Shuai; Bao, Yanjun; Fang, Zheyu

    2016-02-21

    A strong chiral optical response induced at a plasmonic Fano resonance in a planar Au heptamer nanostructure was experimentally and theoretically demonstrated. The scattering spectra show the characteristic narrow-band feature of Fano resonances for both left and right circular polarized lights, with a chiral response reaching 30% at the Fano resonance. Specifically, we systematically investigate the chiral response of planar heptamers with gradually changing the inter-particle rotation angles and separation distance. The chiral spectral characteristics clearly depend on the strength of Fano resonances and the associated near-field optical distributions. Finite element method simulations together with a multipole expansion method demonstrate that the enhanced chirality is caused by the excitation of magnetic quadrupolar and electric toroidal dipolar modes. Our work provides an effective method for the design of 2D nanostructures with a strong chiral response. PMID:26818746

  20. Evaluation of sulfated maltodextrin as a novel anionic chiral selector for the enantioseparation of basic chiral drugs by capillary electrophoresis.

    PubMed

    Tabani, Hadi; Mahyari, Mojtaba; Sahragard, Ali; Fakhari, Ali Reza; Shaabani, Ahmad

    2015-01-01

    Introducing a new class of chiral selectors is an interesting work and this issue is still one of the hot topics in separation science and chirality. In this study, for the first time, sulfated maltodextrin (MD) was synthesized as a new anionic chiral selector and then it was successfully applied for the enantioseparation of five basic drugs (amlodipine, hydroxyzine, fluoxetine, tolterodine, and tramadol) as model chiral compounds using CE. This chiral selector has two recognition sites: a helical structure and a sulfated group which contribute to three corresponding driving forces; inclusion complexation, electrostatic interaction, and hydrogen binding. Under the optimized condition (buffer solution: 50 mM phosphate (pH 3.0) and 2% w/v sulfated MD; applied voltage: 18 kV; temperature: 20°C), baseline enantioseparation was observed for all mentioned chiral drugs. When instead of sulfated MD neutral MD was used under the same condition, no enantioseparation was observed which means the resolution power of sulfated MD is higher than neutral MD due to the electrostatic interaction between sulfated groups and protonated chiral drugs. Also, the countercurrent mobility of negatively charged MD (sulfated MD) allows more interactions between the chiral selector and chiral drugs and this in turn results in a successful resolution for the enantiomers. Furthermore, a higher concentration of neutral MD (approximately five times) is necessary to achieve the equivalent resolution compared with the negatively charged MD. PMID:25262990

  1. Axially chiral BODIPYs.

    PubMed

    Lerrick, Reinner I; Winstanley, Thomas P L; Haggerty, Karen; Wills, Corinne; Clegg, William; Harrington, Ross W; Bultinck, Patrick; Herrebout, Wouter; Benniston, Andrew C; Hall, Michael J

    2014-05-11

    The synthesis and resolution of a class of chiral organic fluorophores, axially chiral 4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (Ax*-BODIPY), is described. Ax*-BODIPYs were prepared through a modular synthesis combined with a late stage Heck functionalisation. Resolution was achieved by preparative chiral HPLC. Absolute stereochemical assignment was performed by comparison of experimental ECD spectra with TD-DFT calculations. PMID:24676233

  2. Chiral atomically thin films

    NASA Astrophysics Data System (ADS)

    Kim, Cheol-Joo; Sánchez-Castillo, A.; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm–1) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra.

  3. Chiral atomically thin films.

    PubMed

    Kim, Cheol-Joo; Sánchez-Castillo, A; Ziegler, Zack; Ogawa, Yui; Noguez, Cecilia; Park, Jiwoong

    2016-06-01

    Chiral materials possess left- and right-handed counterparts linked by mirror symmetry. These materials are useful for advanced applications in polarization optics, stereochemistry and spintronics. In particular, the realization of spatially uniform chiral films with atomic-scale control of their handedness could provide a powerful means for developing nanodevices with novel chiral properties. However, previous approaches based on natural or grown films, or arrays of fabricated building blocks, could not offer a direct means to program intrinsic chiral properties of the film on the atomic scale. Here, we report a chiral stacking approach, where two-dimensional materials are positioned layer-by-layer with precise control of the interlayer rotation (θ) and polarity, resulting in tunable chiral properties of the final stack. Using this method, we produce left- and right-handed bilayer graphene, that is, a two-atom-thick chiral film. The film displays one of the highest intrinsic ellipticity values (6.5 deg μm(-1)) ever reported, and a remarkably strong circular dichroism (CD) with the peak energy and sign tuned by θ and polarity. We show that these chiral properties originate from the large in-plane magnetic moment associated with the interlayer optical transition. Furthermore, we show that we can program the chiral properties of atomically thin films layer-by-layer by producing three-layer graphene films with structurally controlled CD spectra. PMID:26900756

  4. Chiral plasmons without magnetic field.

    PubMed

    Song, Justin C W; Rudner, Mark S

    2016-04-26

    Plasmons, the collective oscillations of interacting electrons, possess emergent properties that dramatically alter the optical response of metals. We predict the existence of a new class of plasmons-chiral Berry plasmons (CBPs)-for a wide range of 2D metallic systems including gapped Dirac materials. As we show, in these materials the interplay between Berry curvature and electron-electron interactions yields chiral plasmonic modes at zero magnetic field. The CBP modes are confined to system boundaries, even in the absence of topological edge states, with chirality manifested in split energy dispersions for oppositely directed plasmon waves. We unveil a rich CBP phenomenology and propose setups for realizing them, including in anomalous Hall metals and optically pumped 2D Dirac materials. Realization of CBPs will offer a powerful paradigm for magnetic field-free, subwavelength optical nonreciprocity, in the mid-IR to terahertz range, with tunable splittings as large as tens of THz, as well as sensitive all-optical diagnostics of topological bands. PMID:27071090

  5. Chiral plasmons without magnetic field

    NASA Astrophysics Data System (ADS)

    Song, Justin C. W.

    2016-04-01

    Plasmons, the collective oscillations of interacting electrons, possess emergent properties that dramatically alter the optical response of metals. We predict the existence of a new class of plasmons—chiral Berry plasmons (CBPs)—for a wide range of 2D metallic systems including gapped Dirac materials. As we show, in these materials the interplay between Berry curvature and electron–electron interactions yields chiral plasmonic modes at zero magnetic field. The CBP modes are confined to system boundaries, even in the absence of topological edge states, with chirality manifested in split energy dispersions for oppositely directed plasmon waves. We unveil a rich CBP phenomenology and propose setups for realizing them, including in anomalous Hall metals and optically pumped 2D Dirac materials. Realization of CBPs will offer a powerful paradigm for magnetic field-free, subwavelength optical nonreciprocity, in the mid-IR to terahertz range, with tunable splittings as large as tens of THz, as well as sensitive all-optical diagnostics of topological bands.

  6. Theory of Chirality Transfer in Block Copolymer Melts

    NASA Astrophysics Data System (ADS)

    Prasad, Ishan; Grason, Gregory

    Block copolymers assemble into a rich spectrum of ordered phases, with complexity driven by asymmetry in copolymer architecture. Despite decades of study, influence of intrinsic chirality on equilibrium mesophase assembly of block copolymers is not well understood and largely unexplored. Self-consistent field theory has been largely instrumental in prediction of physical properties of polymeric systems. Recently, a polar orientational self-consistent field (oSCF) theory was adopted to model chiral block copolymers having a thermodynamic preference for cholesteric ordering in chiral segments, and which confirmed the equilibrium stability of a helical cylinder morphology observed for chiral diblocks. Here, I describe a newly developed oSCF theory for chiral nematic copolymers, where segment orientations are characterized by quadrupolar interactions, and focus our study on intra-domain nematic ordering in flexible block copolymer assemblies, and in particular, mechanisms of transfer of segment chirality to mesochiral symmetries of self-assembled bicontinuous network morphologies.

  7. Achiral flexible liquid crystal trimers exhibiting chiral conglomerates.

    PubMed

    Sasaki, Haruna; Takanishi, Yoichi; Yamamoto, Jun; Yoshizawa, Atsushi

    2016-04-14

    Chiral conglomerates of domains with opposite handedness have attracted much attention from researchers. We prepared a homologous series of achiral liquid crystal trimers in which two phenylpyrimidine units and one biphenyl unit were connected via flexible methylene spacers. We investigated their phase transition behaviour. Some trimers possessing odd-numbered spacers were found to exhibit a nematic phase and a dark chiral conglomerate phase possessing a layered structure. The chiral characteristics were confirmed by uncrossing the polarizers in opposite directions. The layer spacing detected using X-ray diffraction was about 80% of the molecular length. The structure-property relations indicate that intermolecular interactions cause a conformational change in the trimers possessing flexible odd-numbered methylene spacers to form helical conformers with axial chirality, which might induce chiral segregation and layer deformation to drive the chiral conglomerates. PMID:26947890

  8. Supramolecular chirality in self-assembled peptide amphiphile nanostructures.

    PubMed

    Garifullin, Ruslan; Guler, Mustafa O

    2015-08-11

    Induced supramolecular chirality was investigated in the self-assembled peptide amphiphile (PA) nanosystems. Having shown that peptide chirality can be transferred to the covalently-attached achiral pyrene moiety upon PA self-assembly, the chiral information is transferred to molecular pyrene via weak noncovalent interactions. In the first design of a supramolecular chiral system, the chromophore was covalently attached to a peptide sequence (VVAGH) via an ε-aminohexanoic acid spacer. Covalent attachment yielded a PA molecule self-assembling into nanofibers. In the second design, the chromophore was encapsulated within the hydrophobic core of self-assembled nanofibers of another PA consisting of the same peptide sequence attached to lauric acid. We observed that supramolecular chirality was induced in the chromophore by PA assembly into chiral nanostructures, whether it was covalently attached, or noncovalently bound. PMID:26146021

  9. Spontaneous chiral symmetry breaking in collective active motion

    NASA Astrophysics Data System (ADS)

    Breier, Rebekka E.; Selinger, Robin L. B.; Ciccotti, Giovanni; Herminghaus, Stephan; Mazza, Marco G.

    2016-02-01

    Chiral symmetry breaking is ubiquitous in biological systems, from DNA to bacterial suspensions. A key unresolved problem is how chiral structures may spontaneously emerge from achiral interactions. We study a simple model of active swimmers in three dimensions that effectively incorporates hydrodynamic interactions. We perform large-scale molecular dynamics simulations (up to 106 particles) and find long-lived metastable collective states that exhibit chiral organization although the interactions are achiral. We elucidate under which conditions these chiral states will emerge and grow to large scales. To explore the complex phase space available to the system, we perform nonequilibrium quenches on a one-dimensional Lebwohl-Lasher model with periodic boundary conditions to study the likelihood of formation of chiral structures.

  10. Multistep hierarchical self-assembly of chiral nanopore arrays

    PubMed Central

    Kim, Hanim; Lee, Sunhee; Shin, Tae Joo; Korblova, Eva; Walba, David M.; Clark, Noel A.; Lee, Sang Bok; Yoon, Dong Ki

    2014-01-01

    A series of simple hierarchical self-assembly steps achieve self-organization from the centimeter to the subnanometer-length scales in the form of square-centimeter arrays of linear nanopores, each one having a single chiral helical nanofilament of large internal surface area and interfacial interactions based on chiral crystalline molecular arrangements. PMID:25246585

  11. Enantioselective assembly of amphipathic chiral polymer and racemic chiral small molecules during preparation of micro-scale polymer vesicles.

    PubMed

    Wang, Yingjue; Zhuang, Yiwei; Gao, Jiangang; Zou, Gang; Zhang, Qijin

    2016-03-14

    Enantioselective assembly is observed during preparation of vesicles from a solution mixture of an amphipathic block copolymer bearing pendent chiral l- or d-phenylalanine groups in hydrophobic segments and racemic chiral small molecules. Primary experimental results reveal that racemic chiral small molecules have been enantioselectively encapsulated into the hydrophobic shells of assembled vesicles with homochiral bilayer membrane structure, showing reverse CD signals compared with the original vesicles. A further study shows that the enantiomeric excess obtained through the enantioselective assembly is directly dependent on the molecular weight of the hydrophobic chiral chain segments, implying both the hydrophobic interaction and chirality are key points during the assembly of vesicles. Other factors, such as hydrogen-bonding interactions and π-π stacking interaction, are also found to be responsible for the enantioselective assembly phenomenon during the formation of the vesicles. PMID:26853976

  12. Chiral geometry in multiple chiral doublet bands

    NASA Astrophysics Data System (ADS)

    Zhang, Hao; Chen, Qibo

    2016-02-01

    The chiral geometry of multiple chiral doublet bands with identical configuration is discussed for different triaxial deformation parameters γ in the particle rotor model with . The energy spectra, electromagnetic transition probabilities B(M1) and B(E2), angular momenta, and K-distributions are studied. It is demonstrated that the chirality still remains not only in the yrast and yrare bands, but also in the two higher excited bands when γ deviates from 30°. The chiral geometry relies significantly on γ, and the chiral geometry of the two higher excited partner bands is not as good as that of the yrast and yrare doublet bands. Supported by Plan Project of Beijing College Students’ Scientific Research and Entrepreneurial Action, Major State 973 Program of China (2013CB834400), National Natural Science Foundation of China (11175002, 11335002, 11375015, 11461141002), National Fund for Fostering Talents of Basic Science (NFFTBS) (J1103206), Research Fund for Doctoral Program of Higher Education (20110001110087) and China Postdoctoral Science Foundation (2015M580007)

  13. Subtractive Renormalization Group Invariance: Pionless EFT at NLO

    SciTech Connect

    Timoteo, Varese S.; Szpigel, Sergio; Duraes, Francisco O.

    2010-11-12

    We show some results concerning the renormalization group (RG) invariance of the nucleon-nucleon (NN) interaction in pionless effective field theory at next-to-leading order (NLO), using a non-relativistic Callan-Symanzik equation (NRCS) for the driving term of the Lippmann-Schwinger (LS) equation with three recursive subtractions. The phase-shifts obtained for the RG evolved potential are same as those for the original potential, apart from relative differences of order 10{sup -15}.

  14. Chiral Drugs: An Overview

    PubMed Central

    Nguyen, Lien Ai; He, Hua; Pham-Huy, Chuong

    2006-01-01

    About more than half of the drugs currently in use are chiral compounds and near 90% of the last ones are marketed as racemates consisting of an equimolar mixture of two enantiomers. Although they have the same chemical structure, most isomers of chiral drugs exhibit marked differences in biological activities such as pharmacology, toxicology, pharmacokinetics, metabolism etc. Some mechanisms of these properties are also explained. Therefore, it is important to promote the chiral separation and analysis of racemic drugs in pharmaceutical industry as well as in clinic in order to eliminate the unwanted isomer from the preparation and to find an optimal treatment and a right therapeutic control for the patient. In this article, we review the nomenclature, pharmacology, toxicology, pharmacokinetics, metabolism etc of some usual chiral drugs as well as their mechanisms. Different techniques used for the chiral separation in pharmaceutical industry as well as in clinical analyses are also examined. PMID:23674971

  15. Molecular-level Design of Heterogeneous Chiral Catalysts

    SciTech Connect

    Gellman, Andrew John; Sholl, David S.; Tysoe, Wilfred T.; Zaera, Francisco

    2013-04-28

    Understanding and controlling selectivity is one of the key challenges in heterogeneous catalysis. Among problems in catalytic selectivity enantioselectivity is perhaps the most the most challenging. The primary goal of the project on “Molecular-level Design of Heterogeneous Chiral Catalysts” is to understand the origins of enantioselectivity on chiral heterogeneous surfaces and catalysts. The efforts of the project team include preparation of chiral surfaces, characterization of chiral surfaces, experimental detection of enantioselectivity on such surfaces and computational modeling of the interactions of chiral probe molecules with chiral surfaces. Over the course of the project period the team of PI’s has made some of the most detailed and insightful studies of enantioselective chemistry on chiral surfaces. This includes the measurement of fundamental interactions and reaction mechanisms of chiral molecules on chiral surfaces and leads all the way to rationale design and synthesis of chiral surfaces and materials for enantioselective surface chemistry. The PI’s have designed and prepared new materials for enantioselective adsorption and catalysis. Naturally Chiral Surfaces • Completion of a systematic study of the enantiospecific desorption kinetics of R-3-methylcyclohexanone (R-3-MCHO) on 9 achiral and 7 enantiomeric pairs of chiral Cu surfaces with orientations that span the stereographic triangle. • Discovery of super-enantioselective tartaric acid (TA) and aspartic acid (Asp) decomposition as a result of a surface explosion mechanism on Cu(643)R&S. Systematic study of super-enantiospecific TA and Asp decomposition on five enantiomeric pairs of chiral Cu surfaces. • Initial observation of the enantiospecific desorption of R- and S-propylene oxide (PO) from Cu(100) imprinted with {3,1,17} facets by L-lysine adsorption. Templated Chiral Surfaces • Initial observation of the enantiospecific desorption of R- and S-PO from Pt(111) and Pd(111

  16. Nonperturbative NN scattering in 3S1-3D1 channels of EFT(⁄π)

    NASA Astrophysics Data System (ADS)

    Yang, Ji-Feng

    2013-12-01

    The closed-form T matrices in the 3S1-3D1 channels of EFT(⁄π) for NN scattering with the potentials truncated at order O(Q4) are presented with the nonperturbative divergences parametrized in a general manner. The stringent constraints imposed by the closed form of the T matrices are exploited in the underlying theory perspective and turned into virtues in the implementation of subtractions and the manifestation of power counting rules in nonperturbative regimes, leading us to the concept of EFT scenario. A number of scenarios of the EFT description of NN scattering are compared with PSA data in terms of effective range expansion and 3S1 phase shifts, showing that it is favorable to proceed in a scenario with conventional EFT couplings and sophisticated renormalization in order to have large NN scattering lengths. The informative utilities of fine tuning are demonstrated in several examples and naturally interpreted in the underlying theory perspective. In addition, some of the approaches adopted in the recent literature are also addressed in the light of EFT scenario.

  17. Objects of Maximum Electromagnetic Chirality

    NASA Astrophysics Data System (ADS)

    Fernandez-Corbaton, Ivan; Fruhnert, Martin; Rockstuhl, Carsten

    2016-07-01

    We introduce a definition of the electromagnetic chirality of an object and show that it has an upper bound. Reciprocal objects attain the upper bound if and only if they are transparent for all the fields of one polarization handedness (helicity). Additionally, electromagnetic duality symmetry, i.e., helicity preservation upon interaction, turns out to be a necessary condition for reciprocal objects to attain the upper bound. We use these results to provide requirements for the design of such extremal objects. The requirements can be formulated as constraints on the polarizability tensors for dipolar objects or on the material constitutive relations for continuous media. We also outline two applications for objects of maximum electromagnetic chirality: a twofold resonantly enhanced and background-free circular dichroism measurement setup, and angle-independent helicity filtering glasses. Finally, we use the theoretically obtained requirements to guide the design of a specific structure, which we then analyze numerically and discuss its performance with respect to maximal electromagnetic chirality.

  18. Influence of Chirality in Ordered Block Copolymer Phases

    NASA Astrophysics Data System (ADS)

    Prasad, Ishan; Grason, Gregory

    2015-03-01

    Block copolymers are known to assemble into rich spectrum of ordered phases, with many complex phases driven by asymmetry in copolymer architecture. Despite decades of study, the influence of intrinsic chirality on equilibrium mesophase assembly of block copolymers is not well understood and largely unexplored. Self-consistent field theory has played a major role in prediction of physical properties of polymeric systems. Only recently, a polar orientational self-consistent field (oSCF) approach was adopted to model chiral BCP having a thermodynamic preference for cholesteric ordering in chiral segments. We implement oSCF theory for chiral nematic copolymers, where segment orientations are characterized by quadrupolar chiral interactions, and focus our study on the thermodynamic stability of bi-continuous network morphologies, and the transfer of molecular chirality to mesoscale chirality of networks. Unique photonic properties observed in butterfly wings have been attributed to presence of chiral single-gyroid networks, this has made it an attractive target for chiral metamaterial design.

  19. Mitochondrial EFTs defects in juvenile-onset Leigh disease, ataxia, neuropathy, and optic atrophy

    PubMed Central

    Ahola, Sofia; Isohanni, Pirjo; Euro, Liliya; Brilhante, Virginia; Palotie, Aarno; Pihko, Helena; Lönnqvist, Tuula; Lehtonen, Tanita; Laine, Jukka; Tyynismaa, Henna

    2014-01-01

    Objective: We report novel defects of mitochondrial translation elongation factor Ts (EFTs), with high carrier frequency in Finland and expand the manifestations of this disease group from infantile cardiomyopathy to juvenile neuropathy/encephalopathy disorders. Methods: DNA analysis, whole-exome analysis, protein biochemistry, and protein modeling. Results: We used whole-exome sequencing to find the genetic cause of infantile-onset mitochondrial cardiomyopathy, progressing to juvenile-onset Leigh syndrome, neuropathy, and optic atrophy in 2 siblings. We found novel compound heterozygous mutations, c.944G>A [p.C315Y] and c.856C>T [p.Q286X], in the TSFM gene encoding mitochondrial EFTs. The same p.Q286X variant was found as compound heterozygous with a splice site change in a patient from a second family, with juvenile-onset optic atrophy, peripheral neuropathy, and ataxia. Our molecular modeling predicted the coding-region mutations to cause protein instability, which was experimentally confirmed in cultured patient cells, with mitochondrial translation defect and lacking EFTs. Only a single TSFM mutation has been previously described in different populations, leading to an infantile fatal multisystem disorder with cardiomyopathy. Sequence data from 35,000 Finnish population controls indicated that the heterozygous carrier frequency of p.Q286X change was exceptionally high in Finland, 1:80, but no homozygotes were found in the population, in our mitochondrial disease patient collection, or in an intrauterine fetal death material, suggesting early developmental lethality of the homozygotes. Conclusions: We show that in addition to early-onset cardiomyopathy, TSFM mutations should be considered in childhood and juvenile encephalopathies with optic and/or peripheral neuropathy, ataxia, or Leigh disease. PMID:25037205

  20. Chiral Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Tiburzi, Brian C.

    The era of high-precision lattice QCD has led to synergy between lattice computations and phenomenological input from chiral perturbation theory. We provide an introduction to chiral perturbation theory with a bent towards understanding properties of the nucleon and other low-lying baryons. Four main topics are the basis for this chapter. We begin with a discussion of broken symmetries and the procedure to construct the chiral Lagrangian. The second topic concerns specialized applications of chiral perturbation theory tailored to lattice QCD, such as partial quenching, lattice discretization, and finite-volume effects. We describe inclusion of the nucleon in chiral perturbation theory using a heavy-fermion Euclidean action. Issues of convergence are taken up as our final topic. We consider expansions in powers of the strange-quark mass, and the appearance of unphysical singularities in the heavy-particle formulation. Our aim is to guide lattice practitioners in understanding the predictions chiral perturbation theory makes for baryons, and show how the lattice will play a role in testing the rigor of the chiral expansion at physical values of the quark masses.

  1. Applications of chiral symmetry

    SciTech Connect

    Pisarski, R.D.

    1995-03-01

    The author discusses several topics in the applications of chiral symmetry at nonzero temperature. First, where does the rho go? The answer: up. The restoration of chiral symmetry at a temperature T{sub {chi}} implies that the {rho} and a{sub 1} vector mesons are degenerate in mass. In a gauged linear sigma model the {rho} mass increases with temperature, m{sub {rho}}(T{sub {chi}}) > m{sub {rho}}(0). The author conjectures that at T{sub {chi}} the thermal {rho} - a{sub 1}, peak is relatively high, at about {approximately}1 GeV, with a width approximately that at zero temperature (up to standard kinematic factors). The {omega} meson also increases in mass, nearly degenerate with the {rho}, but its width grows dramatically with temperature, increasing to at least {approximately}100 MeV by T{sub {chi}}. The author also stresses how utterly remarkable the principle of vector meson dominance is, when viewed from the modern perspective of the renormalization group. Secondly, he discusses the possible appearance of disoriented chiral condensates from {open_quotes}quenched{close_quotes} heavy ion collisions. It appears difficult to obtain large domains of disoriented chiral condensates in the standard two flavor model. This leads to the last topic, which is the phase diagram for QCD with three flavors, and its proximity to the chiral critical point. QCD may be very near this chiral critical point, and one might thereby generated large domains of disoriented chiral condensates.

  2. Chirality control in oligothiophene through chiral wrapping.

    PubMed

    Sanji, Takanobu; Kato, Nobu; Tanaka, Masato

    2006-01-19

    [structure: see text] Mixing oligothiophenes and polysaccharides, such as amylose and schizophyllan, affords novel inclusion complexes, in which oligothiophene guests adopt twisted conformation in the chiral channel created by left- or right-handed helical wrapping with the polysaccharide host polymers, leading to optical activity. PMID:16408883

  3. Synthesis of Chiral Cyclopentenones.

    PubMed

    Simeonov, Svilen P; Nunes, João P M; Guerra, Krassimira; Kurteva, Vanya B; Afonso, Carlos A M

    2016-05-25

    The cyclopentenone unit is a very powerful synthon for the synthesis of a variety of bioactive target molecules. This is due to the broad diversity of chemical modifications available for the enone structural motif. In particular, chiral cyclopentenones are important precursors in the asymmetric synthesis of target chiral molecules. This Review provides an overview of reported methods for enantioselective and asymmetric syntheses of cyclopentenones, including chemical and enzymatic resolution, asymmetric synthesis via Pauson-Khand reaction, Nazarov cyclization and organocatalyzed reactions, asymmetric functionalization of the existing cyclopentenone unit, and functionalization of chiral building blocks. PMID:27101336

  4. The covariant chiral ring

    NASA Astrophysics Data System (ADS)

    Bourget, Antoine; Troost, Jan

    2016-03-01

    We construct a covariant generating function for the spectrum of chiral primaries of symmetric orbifold conformal field theories with N = (4 , 4) supersymmetry in two dimensions. For seed target spaces K3 and T 4, the generating functions capture the SO(21) and SO(5) representation theoretic content of the chiral ring respectively. Via string dualities, we relate the transformation properties of the chiral ring under these isometries of the moduli space to the Lorentz covariance of perturbative string partition functions in flat space.

  5. Enantiospecific adsorption of cysteine on a chiral Au34 cluster

    NASA Astrophysics Data System (ADS)

    Pelayo, José de Jesús; Valencia, Israel; Díaz, Gabriela; López-Lozano, Xóchitl; Garzón, Ignacio L.

    2015-12-01

    The interaction of biological molecules like chiral amino acids with chiral metal clusters is becoming an interesting and active field of research because of its potential impact in, for example, chiral molecular recognition phenomena. In particular, the enantiospecific adsorption (EA) of cysteine (Cys) on a chiral Au55 cluster was theoretically predicted a few years ago. In this work, we present theoretical results, based on density functional theory, of the EA of non-zwitterionic cysteine interacting with the C3-Au34 chiral cluster, which has been experimentally detected in gas phase, using trapped ion electron diffraction. Our results show that, indeed, the adsorption energy of the amino acid depends on which enantiomers participate in the formation Cys-Au34 chiral complex. EA was obtained in the adsorption modes where both the thiol, and the thiol-amino functional groups of Cys are adsorbed on low-coordinated sites of the metal cluster surface. Similarly to what was obtained for the Cys-Au55 chiral complex, in the present work, it is found that the EA is originated from the different strength and location of the bond between the COOH functional group and surface Au atoms of the Au34 chiral cluster. Calculations of the vibrational spectrum for the different Cys-Au34 diastereomeric complexes predict the existence of a vibro-enantiospecific effect, indicating that the vibrational frequencies of the adsorbed amino acid depend on its handedness.

  6. Disoriented chiral condensate: Theory and phenomenology

    SciTech Connect

    Bjorken, J.D.

    1997-12-01

    These notes are an abbreviated version of lectures given at the 1997 Zakopane School. They contain two topics. The first is a description in elementary terms of the basic ideas underlying the speculative hypothesis that pieces of strong-interaction vacuum with a rotated chiral order parameter, disoriented chiral condensate or DCC, might be produced in high energy elementary particle collisions. The second topic is a discussion of the phenomenological techniques which may be applied to data in order to experimentally search for the existence of DCC.

  7. Nonlinear chiral transport phenomena

    NASA Astrophysics Data System (ADS)

    Chen, Jiunn-Wei; Ishii, Takeaki; Pu, Shi; Yamamoto, Naoki

    2016-06-01

    We study the nonlinear responses of relativistic chiral matter to the external fields such as the electric field E , gradients of temperature and chemical potential, ∇T and ∇μ . Using the kinetic theory with Berry curvature corrections under the relaxation time approximation, we compute the transport coefficients of possible new electric currents that are forbidden in usual chirally symmetric matter but are allowed in chirally asymmetric matter by parity. In particular, we find a new type of electric current proportional to ∇μ ×E due to the interplay between the effects of the Berry curvature and collisions. We also derive an analog of the "Wiedemann-Franz" law specific for anomalous nonlinear transport in relativistic chiral matter.

  8. Spintronics: Chiral damping

    PubMed Central

    Kim, Kyoung-Whan; Lee, Hyun-Woo

    2016-01-01

    The analysis of the magnetic domain wall motion in a nanostructured magnetic system with strong spin-orbit coupling shows that the energy dissipation can be chiral when the inversion symmetry is broken. PMID:26906956

  9. Chiral plasma instabilities.

    PubMed

    Akamatsu, Yukinao; Yamamoto, Naoki

    2013-08-01

    We study the collective modes in relativistic electromagnetic or quark-gluon plasmas with an asymmetry between left- and right-handed chiral fermions, based on the recently formulated kinetic theory with Berry curvature corrections. We find that there exists an unstable mode, signaling the presence of a plasma instability. We argue the fate of this "chiral plasma instability" including the effect of collisions, and briefly discuss its relevance in heavy ion collisions and compact stars. PMID:23952387

  10. Orion Exploration Flight Test 1 (EFT-1) Best Estimated Trajectory Development

    NASA Technical Reports Server (NTRS)

    Holt, Greg N.; Brown, Aaron

    2016-01-01

    The Orion Exploration Flight Test 1 (EFT-1) mission successfully flew on Dec 5, 2014 atop a Delta IV Heavy launch vehicle. The goal of Orions maiden flight was to stress the system by placing an uncrewed vehicle on a high-energy trajectory replicating conditions similar to those that would be experienced when returning from an asteroid or a lunar mission. The Orion navigation team combined all trajectory data from the mission into a Best Estimated Trajectory (BET) product. There were significant challenges in data reconstruction and many lessons were learned for future missions. The team used an estimation filter incorporating radar tracking, onboard sensors (Global Positioning System and Inertial Measurement Unit), and day-of-flight weather balloons to evaluate the true trajectory flown by Orion. Data was published for the entire Orion EFT-1 flight, plus objects jettisoned during entry such as the Forward Bay Cover. The BET customers include approximately 20 disciplines within Orion who will use the information for evaluating vehicle performance and influencing future design decisions.

  11. Chiral density wave in nuclear matter

    NASA Astrophysics Data System (ADS)

    Heinz, Achim; Giacosa, Francesco; Rischke, Dirk H.

    2015-01-01

    Inspired by recent work on inhomogeneous chiral condensation in cold, dense quark matter within models featuring quark degrees of freedom, we investigate the chiral density-wave solution in nuclear matter at zero temperature and nonvanishing baryon number density in the framework of the so-called extended linear sigma model (eLSM). The eLSM is an effective model for the strong interaction based on the global chiral symmetry of quantum chromodynamics (QCD). It contains scalar, pseudoscalar, vector, and axial-vector mesons as well as baryons. In the latter sector, the nucleon and its chiral partner are introduced as parity doublets in the mirror assignment. The eLSM simultaneously provides a good description of hadrons in vacuum as well as nuclear matter ground-state properties. We find that an inhomogeneous phase in the form of a chiral density wave is realized, but only for densities larger than 2.4ρ0, where ρ0 is the nuclear matter ground-state density.

  12. The significance of chirality in drug design and development.

    PubMed

    Brooks, W H; Guida, W C; Daniel, K G

    2011-01-01

    Proteins are often enantioselective towards their binding partners. When designing small molecules to interact with these targets, one should consider stereoselectivity. As considerations for exploring structure space evolve, chirality is increasingly important. Binding affinity for a chiral drug can differ for diastereomers and between enantiomers. For the virtual screening and computational design stage of drug development, this problem can be compounded by incomplete stereochemical information in structure libraries leading to a "coin toss" as to whether or not the "ideal" chiral structure is present. Creating every stereoisomer for each chiral compound in a structure library leads to an exponential increase in the number of structures resulting in potentially unmanageable file sizes and screening times. Therefore, only key chiral structures, enantiomeric pairs based on relative stereochemistry need be included, and lead to a compromise between exploration of chemical space and maintaining manageable libraries. In clinical environments, enantiomers of chiral drugs can have reduced, no, or even deleterious effects. This underscores the need to avoid mixtures of compounds and focus on chiral synthesis. Governmental regulations emphasizing the need to monitor chirality in drug development have increased. The United States Food and Drug Administration issued guidelines and policies in 1992 concerning the development of chiral compounds. These guidelines require that absolute stereochemistry be known for compounds with chiral centers and that this information should be established early in drug development in order that the analysis can be considered valid. From exploration of structure space to governmental regulations it is clear that the question of chirality in drug design is of vital importance. PMID:21291399

  13. Chiral charge erasure via thermal fluctuations of magnetic helicity

    NASA Astrophysics Data System (ADS)

    Long, Andrew J.; Sabancilar, Eray

    2016-05-01

    We consider a relativistic plasma of fermions coupled to an Abelian gauge field and carrying a chiral charge asymmetry, which might arise in the early Universe through baryogenesis. It is known that on large length scales, λ gtrsim 1/(αμ5), the chiral anomaly opens an instability toward the erasure of chiral charge and growth of magnetic helicity. Here the chemical potential μ5 parametrizes the chiral asymmetry and α is the fine-structure constant. We study the process of chiral charge erasure through the thermal fluctuations of magnetic helicity and contrast with the well-studied phenomenon of Chern-Simons number diffusion. Through the fluctuation-dissipation theorem we estimate the amplitude and time scale of helicity fluctuations on the length scale λ, finding δScript H ~ λT and τ ~ αλ3T2 for a relativistic plasma at temperature T. We argue that the presence of a chiral asymmetry allows the helicity to grow diffusively for a time t ~ T3/(α5μ54) until it reaches an equilibrium value Script H ~ μ5T2/α, and the chiral asymmetry is partially erased. If the chiral asymmetry is small, μ5 < T/α, this avenue for chiral charge erasure is found to be slower than the chiral magnetic effect for which t ~ T/(α3μ52). This mechanism for chiral charge erasure can be important for the hypercharge sector of the Standard Model as well as extensions including U(1) gauge interactions, such as asymmetric dark matter models.

  14. Chiral Recognition Mechanisms in Enantiomers Separations: A General View

    NASA Astrophysics Data System (ADS)

    Berthod, Alain

    In 1858, Louis Pasteur, the first to accomplish the separation of two enantiomers wrote: “Most natural organic products, the essential products of life, are asymmetric and possess such asymmetry that they are not superimposable on their image. This establishes perhaps the only well-marked line of demarcation that can at present be drawn between the chemistry of dead matter and the chemistry of living matter.” Enantiomers have exactly the same properties in isotropic conditions. They behave differently only in anisotropic conditions. Chiral-chiral interactions are needed for enantiomeric separations. The fundamental mechanisms for chiral separations are listed along with the commercially available chiral selectors. Two chemometric examples are commented: one on quantitative structure enantioselectivity relationship and the second one on linear solvation energy relationships. It is shown that the solvents used in the mobile phase may play the most critical role in the chiral mechanism.

  15. Chiral Polychlorinated Biphenyl Transport, Metabolism and Distribution - A Review

    PubMed Central

    Lehmler, Hans-Joachim; Harrad, Stuart J.; Hühnerfuss, Heinrich; Kania-Korwel, Izabela; Lee, Cindy M.; Lu, Zhe; Wong, Charles S.

    2009-01-01

    Chirality can be exploited to gain insight into enantioselective fate processes that may otherwise remain undetected because only biological, but not physical and chemical transport and transformation processes in an achiral environment will change enantiomer compositions. This review provides an in-depth overview of the application of chirality to the study of chiral polychlorinated biphenyls (PCBs), an important group of legacy pollutants. Like other chiral compounds, individual PCB enantiomers may interact enantioselectively (or enantiospecifically) with chiral macromolecules, such as cytochrome P-450 enzymes or ryanodine receptors, leading to differences in their toxicological effects and the enantioselective formation of chiral biotransformation products. Species and congener-specific enantiomer enrichment has been demonstrated in environmental compartments, wildlife and mammals, including humans, typically due to a complex combination of biotransformation processes and uptake via the diet by passive diffusion. Changes in the enantiomer composition of chiral PCBs in the environment have been used to understand complex aerobic and anaerobic microbial transformation pathways, to delineate and quantify PCB sources and transport in the environment, to gain insight into the biotransformation of PCBs in aquatic food webs, and to investigate the enantioselective disposition of PCBs and their methylsulfonyl PCBs metabolites in rodents. Overall, changes in chiral signatures are powerful, but currently underutilized tools for studies of environmental and biological processes of PCBs. PMID:20384371

  16. Chiral magnetism at oxide interfaces

    NASA Astrophysics Data System (ADS)

    Randeria, Mohit

    2014-03-01

    There are tantalizing hints of magnetism at the n-type LaAlO3/SrTiO3 interface, but the experimental evidence remains controversial in view of some of the differences between different samples and probes. I will argue that if magnetism exists at interfaces, symmetry arguments imply chiral interactions that lead to a spiral ground state in zero external field and skyrmion crystals for H ≠ 0 . I will next present a microscopic model that provides a possible mechanism for the formation of local moments. I will show that the coupling of these moments to itinerant electrons leads to ferromagnetic double exchange together with Dzyaloshinskii-Moriya (DM) interactions and an easy-plane ``compass'' anisotropy, which arise from Rashba spin-orbit coupling (SOC) due to the lack of inversion symmetry at the interface. The compass term, often ignored in the literature on chiral magnetism, is shown to play a crucial role in determining the magnetic ground state. I will compare our results with existing torque magnetometry data on LAO/STO and try to reconcile it with scanning SQUID magnetometry. Finally, I will present the phase diagram in a field and show that easy-plane anisotropy stabilizes an unexpectedly large skyrmion crystal phase and describe its properties. (Work done in collaboration with Sumilan Banerjee, Onur Erten, Daniel Kestner and James Rowland). Supported by DOE-BES DE-SC0005035, NSF-DMR-1006532 and NSF MRSEC DMR-0820414.

  17. Rationalization of chirality induction and inversion in a zinc trisporphyrinate by a chiral monoalcohol.

    PubMed

    Li, Li; Hu, Chuanjiang; Shi, Bo; Wang, Yong

    2016-05-10

    A new host-guest system is formed between a benzene tricarboxamide linked zinc trisporphyrinate and a chiral monoalcohol (1-phenylethylalcohol). CD spectra show the chirality induction and inversion processes, which are controlled by the corresponding 1 : 1 and 1 : 2 coordination complexes. The binding constants calculated by UV-vis and CD spectral data are much larger than that for [Zn(TPP)] (TPP = tetraphenylporphyrin). The crystallographic structure of the host-guest complex reveals that multiple intramolecular hydrogen bonds and π-π interactions could contribute to its high binding affinity to 1-phenylethylalcohol. The DFT calculations suggest that the spatial orientations of porphyrin moieties change from the 1 : 1 complex to the 1 : 2 complex. The chirality induction and inversion processes are rationalized by the summation of pairwise interactions among multichromophores according to pairwise additivity. PMID:27074900

  18. Chiral light intrinsically couples to extrinsic/pseudo-chiral metasurfaces made of tilted gold nanowires.

    PubMed

    Belardini, Alessandro; Centini, Marco; Leahu, Grigore; Hooper, David C; Li Voti, Roberto; Fazio, Eugenio; Haus, Joseph W; Sarangan, Andrew; Valev, Ventsislav K; Sibilia, Concita

    2016-01-01

    Extrinsic or pseudo-chiral (meta)surfaces have an achiral structure, yet they can give rise to circular dichroism when the experiment itself becomes chiral. Although these surfaces are known to yield differences in reflected and transmitted circularly polarized light, the exact mechanism of the interaction has never been directly demonstrated. Here we present a comprehensive linear and nonlinear optical investigation of a metasurface composed of tilted gold nanowires. In the linear regime, we directly demonstrate the selective absorption of circularly polarised light depending on the orientation of the metasurface. In the nonlinear regime, we demonstrate for the first time how second harmonic generation circular dichroism in such extrinsic/pseudo-chiral materials can be understood in terms of effective nonlinear susceptibility tensor elements that switch sign depending on the orientation of the metasurface. By providing fundamental understanding of the chiroptical interactions in achiral metasurfaces, our work opens up new perspectives for the optimisation of their properties. PMID:27553888

  19. Chiral light intrinsically couples to extrinsic/pseudo-chiral metasurfaces made of tilted gold nanowires

    PubMed Central

    Belardini, Alessandro; Centini, Marco; Leahu, Grigore; Hooper, David C.; Li Voti, Roberto; Fazio, Eugenio; Haus, Joseph W.; Sarangan, Andrew; Valev, Ventsislav K.; Sibilia, Concita

    2016-01-01

    Extrinsic or pseudo-chiral (meta)surfaces have an achiral structure, yet they can give rise to circular dichroism when the experiment itself becomes chiral. Although these surfaces are known to yield differences in reflected and transmitted circularly polarized light, the exact mechanism of the interaction has never been directly demonstrated. Here we present a comprehensive linear and nonlinear optical investigation of a metasurface composed of tilted gold nanowires. In the linear regime, we directly demonstrate the selective absorption of circularly polarised light depending on the orientation of the metasurface. In the nonlinear regime, we demonstrate for the first time how second harmonic generation circular dichroism in such extrinsic/pseudo-chiral materials can be understood in terms of effective nonlinear susceptibility tensor elements that switch sign depending on the orientation of the metasurface. By providing fundamental understanding of the chiroptical interactions in achiral metasurfaces, our work opens up new perspectives for the optimisation of their properties. PMID:27553888

  20. Chiral quirkonium decays

    NASA Astrophysics Data System (ADS)

    Fok, R.; Kribs, Graham D.

    2011-08-01

    We calculate the two-body decay rates of quirkonium states formed from quirks that acquire mass solely through electroweak symmetry breaking. We consider SU(N)ic infracolor with two flavors of quirks transforming under the electroweak group (but not QCD) of the standard model. In one case, the quirks are in a chiral representation of the electroweak group, while in the other case, a vectorlike representation. The differences in the dominant decay channels between “chiral quirkonia” versus “vectorlike quirkonia” are striking. Several chiral quirkonia states can decay into the unique two-body resonance channels WH, ZH, tt¯, tb¯/bt¯, and γH, which never dominate for vectorlike quirkonia. Additionally, the channels WW, WZ, ZZ, and Wγ, are shared among both chiral and vectorlike quirkonia. Resonances of dileptons or light quarks (dijets) can dominate for some vectorlike quirkonia states throughout their mass range, while these modes never dominate for chiral quirkonia unless the decays into pairs of gauge or Higgs bosons are kinematically forbidden.

  1. Chiral Quirkonium Decays

    SciTech Connect

    Fok, R.; Kribs, Graham D.; /Fermilab

    2011-06-01

    We calculate the two-body decay rates of quirkonium states formed from quirks that acquire mass solely through electroweak symmetry breaking. We consider SU(N){sub ic} infracolor with two flavors of quirks transforming under the electroweak group (but not QCD) of the standard model. In one case, the quirks are in a chiral representation of the electroweak group, while in the other case, a vectorlike representation. The differences in the dominant decay channels between 'chiral quirkonia' versus 'vectorlike quirkonia' are striking. Several chiral quirkonia states can decay into the unique two-body resonance channels WH, ZH, t{bar t}, t{bar b}/b{bar t}, and {gamma}H, which never dominate for vectorlike quirkonia. Additionally, the channels WW, WZ, ZZ, and W{gamma}, are shared among both chiral and vectorlike quirkonia. Resonances of dileptons or light quarks (dijets) can dominate for some vectorlike quirkonia states throughout their mass range, while these modes never dominate for chiral quirkonia unless the decays into pairs of gauge or Higgs bosons are kinematically forbidden.

  2. Coherent neutrinoproduction of photons and pions in a chiral effective field theory for nuclei

    NASA Astrophysics Data System (ADS)

    Zhang, Xilin; Serot, Brian D.

    2012-09-01

    Background: The neutrinoproduction of photons and pions from nucleons and nuclei is relevant to the background analysis in neutrino-oscillation experiments [for example, the MiniBooNE; MiniBooNE Collaboration, A. A. Aquilar-Arevalo , Phys. Rev. Lett.0031-900710.1103/PhysRevLett.100.032301 100, 032301 (2008)]. The production from nucleons and incoherent production with Eν⩽0.5GeV have been studied in B. D. Serot and X. Zhang, Phys. Rev. CPRVCAN0556-281310.1103/PhysRevC.86.015501 86, 015501 (2012); and X. Zhang and B. D. Serot, Phys. Rev. C1110-865710.1103/PhysRevC.86.035502 86, 035502 (2012).Purpose: Study coherent productions with Eν⩽0.5GeV. Also address the contributions of two contact terms in neutral current (NC) photon production that are partially related to the proposed anomalous ω(ρ), Z boson, and photon interactions.Methods: We work in the framework of a Lorentz-covariant effective field theory (EFT), which contains nucleons, pions, the Δ (1232) (Δs), isoscalar scalar (σ) and vector (ω) fields, and isovector vector (ρ) fields, and incorporates a nonlinear realization of (approximate) SU(2)L⊗SU(2)R chiral symmetry. A revised version of the so-called “optimal approximation” is applied, where one-nucleon interaction amplitude is factorized out and the medium-modifications and pion wave function distortion are included. The calculation is tested against the coherent pion photoproduction data.Results: The computation shows an agreement with the pion photoproduction data, although precisely determining the Δ modification is entangled with one mentioned contact term. The uncertainty in the Δ modification leads to uncertainties in both pion and photon neutrinoproductions. In addition, the contact term plays a significant role in NC photon production.Conclusions: First, the contact term increases NC photon production by ˜10% assuming a reasonable range of the contact coupling, which however seems not significant enough to explain the Mini

  3. Extended Chiral ({sigma},{pi},{omega}) Mean-Field Model with Vacuum Fluctuation Corrections

    SciTech Connect

    Uechi, Schun T.; Uechi, Hiroshi

    2011-10-21

    Density-dependent relations among saturation properties of symmetric nuclear matter and properties of hadronic stars are discussed by applying the conserving chiral nonlinear ({sigma},{pi},{omega}) mean-field theory. The chiral nonlinear ({sigma},{pi},{omega}) mean-field theory is an extension of the conserving nonlinear (nonchiral){sigma}-{omega} mean-field theory, which is thermodynamically consistent, relativistic and Lorentz-covariant. In the extended chiral ({sigma},{pi},{omega}) mean-field model, all the masses of hadrons are produced by the spontaneous chiral symmetry breaking, which is different from conventional chiral partner models. By comparing both nonchiral and chiral mean-field approximations, the effects of the chiral symmetry breaking mechanism on the mass of {sigma}-meson, coefficients of nonlinear interactions and Fermi-liquid properties are investigated in nuclear matter and neutron stars.

  4. Chirality dependent elastic properties of single-walled boron nitride nanotubes under uniaxial and torsional loading

    SciTech Connect

    Anoop Krishnan, N. M. Ghosh, Debraj

    2014-02-14

    The elastic behavior of single-walled boron nitride nanotubes is studied under axial and torsional loading. Molecular dynamics simulation is carried out with a tersoff potential for modeling the interatomic interactions. Different chiral configurations with similar diameter are considered to study the effect of chirality on the elastic and shear moduli. Furthermore, the effects of tube length on elastic modulus are also studied by considering different aspects ratios. It is observed that both elastic and shear moduli depend upon the chirality of a nanotube. For aspect ratios less than 15, the elastic modulus reduces monotonically with an increase in the chiral angle. For chiral nanotubes, the torsional response shows a dependence on the direction of loading. The difference between the shear moduli against and along the chiral twist directions is maximum for chiral angle of 15°, and zero for zigzag (0°) and armchair (30°) configurations.

  5. Chirality transfer from gold nanocluster to adsorbate evidenced by vibrational circular dichroism

    PubMed Central

    Dolamic, Igor; Varnholt, Birte; Bürgi, Thomas

    2015-01-01

    The transfer of chirality from one set of molecules to another is fundamental for applications in chiral technology and has likely played a crucial role for establishing homochirality on earth. Here we show that an intrinsically chiral gold cluster can transfer its handedness to an achiral molecule adsorbed on its surface. Solutions of chiral Au38(2-PET)24 (2-PET=2-phenylethylthiolate) cluster enantiomers show strong vibrational circular dichroism (VCD) signals in vibrations of the achiral adsorbate. Density functional theory (DFT) calculations reveal that 2-PET molecules adopt a chiral conformation. Chirality transfer from the cluster to the achiral adsorbate is responsible for the preference of one of the two mirror images. Intermolecular interactions between the adsorbed molecules on the crowded cluster surface seem to play a dominant role for the phenomena. Such chirality transfer from metals to adsorbates likely plays an important role in heterogeneous enantioselective catalysis. PMID:25960309

  6. Chiral recognition and selection during the self-assembly process of protein-mimic macroanions

    SciTech Connect

    Yin, Panchao; Zhang, Zhi-Ming; Lv, Hongjin; Li, Tao; Haso, Fadi; Hu, Lang; Zhang, Baofang; Basca, John; Wei, Yongge; Gao, Yanqing; Hou, Yu; Li, Yang-Guang; Hill, Craig L.; Wang, En-Bo; Liu, Tianbo

    2015-03-01

    The research on chiral recognition and chiral selection is not only fundamental in resolving the puzzle of homochirality, but also instructive in chiral separation and stereoselective catalysis. Here we report the chiral recognition and chiral selection during the self-assembly process of two enantiomeric wheel-shaped macroanions, [Fe28(μ3-O)8(Tart)16(HCOO)24]20- (Tart=D- or L-tartaric acid tetra-anion). The enantiomers are observed to remain self-sorted and self-assemble into their individual assemblies in their racemic mixture solution. The addition of chiral co-anions can selectively suppress the self-assembly process of the enantiomeric macroanions, which is further used to separate the two enantiomers from their mixtures on the basis of the size difference between the monomers and the assemblies. We believe that delicate long-range electrostatic interactions could be responsible for such high-level chiral recognition and selection.

  7. Baryon chiral perturbation theory

    NASA Astrophysics Data System (ADS)

    Scherer, S.

    2012-03-01

    We provide a short introduction to the one-nucleon sector of chiral perturbation theory and address the issue of power counting and renormalization. We discuss the infrared regularization and the extended on-mass-shell scheme. Both allow for the inclusion of further degrees of freedom beyond pions and nucleons and the application to higher-loop calculations. As applications we consider the chiral expansion of the nucleon mass to order Script O(q6) and the inclusion of vector and axial-vector mesons in the calculation of nucleon form factors. Finally, we address the complex-mass scheme for describing unstable particles in effective field theory.

  8. Chiral phase transition in peripheral heavy-ion collisions

    SciTech Connect

    Ayala, Alejandro; Bashir, Adnan; Raya, Alfredo; Sanchez, Angel

    2009-04-20

    It has been recently realized that in peripheral heavy-ion collisions at high energies, a sizable magnetic field is produced in the interaction region. Although this field becomes weak at the proper times when the chiral phase transition is believed to occur, it is still significant so as to ask whether it influences such transition. We use the linear sigma model to study the chiral phase transition in the presence of weak magnetic fields.

  9. Strong WW scattering chiral lagrangians, unitarity and resonances

    SciTech Connect

    Pelaez, J.R.

    1996-08-01

    Chiral lagrangians provide a model independent description of the strongly interacting symmetry breaking sector. In this work, first we review the LHC sensitivity to the chiral parameters (in the hardest case of non-resonant low-energy WW scattering). Later we show how to reproduce or predict the resonance spectrum by means of dispersion theory and the inverse amplitude method. We present a parameter space scan that covers many different strong WW scattering scenarios.

  10. An investigation of ab initio shell-model interactions derived by no-core shell model

    NASA Astrophysics Data System (ADS)

    Wang, XiaoBao; Dong, GuoXiang; Li, QingFeng; Shen, CaiWan; Yu, ShaoYing

    2016-09-01

    The microscopic shell-model effective interactions are mainly based on the many-body perturbation theory (MBPT), the first work of which can be traced to Brown and Kuo's first attempt in 1966, derived from the Hamada-Johnston nucleon-nucleon potential. However, the convergence of the MBPT is still unclear. On the other hand, ab initio theories, such as Green's function Monte Carlo (GFMC), no-core shell model (NCSM), and coupled-cluster theory with single and double excitations (CCSD), have made many progress in recent years. However, due to the increasing demanding of computing resources, these ab initio applications are usually limited to nuclei with mass up to A = 16. Recently, people have realized the ab initio construction of valence-space effective interactions, which is obtained through a second-time renormalization, or to be more exactly, projecting the full-manybody Hamiltonian into core, one-body, and two-body cluster parts. In this paper, we present the investigation of such ab initio shell-model interactions, by the recent derived sd-shell effective interactions based on effective J-matrix Inverse Scattering Potential (JISP) and chiral effective-field theory (EFT) through NCSM. In this work, we have seen the similarity between the ab initio shellmodel interactions and the interactions obtained by MBPT or by empirical fitting. Without the inclusion of three-body (3-bd) force, the ab initio shell-model interactions still share similar defects with the microscopic interactions by MBPT, i.e., T = 1 channel is more attractive while T = 0 channel is more repulsive than empirical interactions. The progress to include more many-body correlations and 3-bd force is still badly needed, to see whether such efforts of ab initio shell-model interactions can reach similar precision as the interactions fitted to experimental data.