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Sample records for 1h-15n dipolar couplings

  1. Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.

    PubMed

    Tjandra, N; Omichinski, J G; Gronenborn, A M; Clore, G M; Bax, A

    1997-09-01

    Anisotropy of the molecular magnetic susceptibility gives rise to a small degree of alignment. The resulting residual dipolar couplings, which can now be measured with the advent of higher magnetic fields in NMR, contain information on the orientation of the internuclear vectors relative to the molecular magnetic susceptibility tensor, thereby providing information on long range order that is not accessible by any of the solution NMR parameters currently used in structure determination. Thus, the dipolar couplings constitute unique and powerful restraints in determining the structures of magnetically oriented macromolecules in solution. The method is demonstrated on a complex of the DNA-binding domain of the transcription factor GATA-1 with a 16 base pair oligodeoxyribonucleotide. PMID:9303001

  2. 1H-13C/1H-15N Heteronuclear Dipolar Recoupling by R-Symmetry Sequences Under Fast Magic Angle Spinning for Dynamics Analysis of Biological and Organic Solids

    PubMed Central

    Hou, Guangjin; Byeon, In-Ja L.; Ahn, Jinwoo; Gronenborn, Angela M.; Polenova, Tatyana

    2011-01-01

    Fast magic angle spinning (MAS) NMR spectroscopy is becoming increasingly important in structural and dynamics studies of biological systems and inorganic materials. Superior spectral resolution due to the efficient averaging of the dipolar couplings can be attained at MAS frequencies of 40 kHz and higher with appropriate decoupling techniques, while proton detection gives rise to significant sensitivity gains, therefore making fast MAS conditions advantageous across the board compared with the conventional slow- and moderate-MAS approaches. At the same time, many of the dipolar recoupling approaches that currently constitute the basis for structural and dynamics studies of solid materials and that are designed for MAS frequencies of 20 kHz and below, fail above 30 kHz. In this report, we present an approach for 1H-13C/1H-15N heteronuclear dipolar recoupling under fast MAS conditions using R-type symmetry sequences, which is suitable even for fully protonated systems. A series of rotor-synchronized R-type symmetry pulse schemes are explored for the determination of structure and dynamics in biological and organic systems. The investigations of the performance of the various RNnv-symmetry sequences at the MAS frequency of 40 kHz experimentally and by numerical simulations on [U-13C,15N]-alanine and [U-13C,15N]-N-acetyl-valine, revealed excellent performance for sequences with high symmetry number ratio (N/2n > 2.5). Further applications of this approach are presented for two proteins, sparsely 13C/uniformly 15N enriched CAP-Gly domain of dynactin and U-13C,15N-Tyr enriched C-terminal domain of HIV-1 CA protein. 2D and 3D R1632-based DIPSHIFT experiments carried out at the MAS frequency of 40 kHz, yielded site-specific 1H-13C/1H-15N heteronuclear dipolar coupling constants for CAP-Gly and CTD CA, reporting on the dynamic behavior of these proteins on time scales of nano- to microseconds. The R-symmetry based dipolar recoupling under fast MAS is expected to find

  3. A closer look at the nitrogen next door: 1H-15N NMR methods for glycosaminoglycan structural characterization

    NASA Astrophysics Data System (ADS)

    Langeslay, Derek J.; Beni, Szabolcs; Larive, Cynthia K.

    2012-03-01

    Recently, experimental conditions were presented for the detection of the N-sulfoglucosamine (GlcNS) NHSO3- or sulfamate 1H and 15N NMR resonances of the pharmaceutically and biologically important glycosaminoglycan (GAG) heparin in aqueous solution. In the present work, we explore further the applicability of nitrogen-bound proton detection to provide structural information for GAGs. Compared to the detection of 15N chemical shifts of aminosugars through long-range couplings using the IMPACT-HNMBC pulse sequence, the more sensitive two-dimensional 1H-15N HSQC-TOCSY experiments provided additional structural data. The IMPACT-HNMBC experiment remains a powerful tool as demonstrated by the spectrum measured for the unsubstituted amine of 3-O-sulfoglucosamine (GlcN(3S)), which cannot be observed with the 1H-15N HSQC-TOCSY experiment due to the fast exchange of the amino group protons with solvent. The 1H-15N HSQC-TOCSY NMR spectrum reported for the mixture of model compounds GlcNS and N-acetylglucosamine (GlcNAc) demonstrate the broad utility of this approach. Measurements for the synthetic pentasaccharide drug Arixtra® (Fondaparinux sodium) in aqueous solution illustrate the power of this NMR pulse sequence for structural characterization of highly similar N-sulfoglucosamine residues in GAG-derived oligosaccharides.

  4. Resolution and measurement of heteronuclear dipolar couplings of a noncrystalline protein immobilized in a biological supramolecular assembly by proton-detected MAS solid-state NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Park, Sang Ho; Yang, Chen; Opella, Stanley J.; Mueller, Leonard J.

    2013-12-01

    Two-dimensional 15N chemical shift/1H chemical shift and three-dimensional 1H-15N dipolar coupling/15N chemical shift/1H chemical shift MAS solid-state NMR correlation spectra of the filamentous bacteriophage Pf1 major coat protein show single-site resolution in noncrystalline, intact-phage preparations. The high sensitivity and resolution result from 1H detection at 600 MHz under 50 kHz magic angle spinning using ∼0.5 mg of perdeuterated and uniformly 15N-labeled protein in which the exchangeable amide sites are partially or completely back-exchanged (reprotonated). Notably, the heteronuclear 1H-15N dipolar coupling frequency dimension is shown to select among 15N resonances, which will be useful in structural studies of larger proteins where the resonances exhibit a high degree of overlap in multidimensional chemical shift correlation spectra.

  5. "Turning off" the dipolar coupling in Silicon

    NASA Astrophysics Data System (ADS)

    Dong, Yanqun; Murray, John; Li, Dale; Dementyev, Anatoly; Ramos, Rona; Barrett, Sean

    2004-03-01

    Static NMR studies of Silicon revealed several surprising features [A.E. Dementyev, D. Li, K. MacLean, S.E. Barrett, Phys. Rev. B, 68, 153302(2003)], such as very long CPMG echo trains, and even-odd asymmetry. We suggested the surprising effects were due to the Si-29 homonuclear dipolar coupling. To see what would happen if the nuclear dipolar coupling is "turned off", we carried out magic angle spinning (MAS) experiments, with varying spinning speed, on several Si-29 samples. I will present some results of the MAS experiments, and discuss the implications for the static NMR puzzles.

  6. MUSIC in Triple-Resonance Experiments: Amino Acid Type-Selective 1H- 15N Correlations

    NASA Astrophysics Data System (ADS)

    Schubert, Mario; Smalla, Maika; Schmieder, Peter; Oschkinat, Hartmut

    1999-11-01

    Amino acid type-selective triple-resonance experiments can be of great help for the assignment of protein spectra, since they help to remove ambiguities in either manual or automated assignment procedures. Here, modified triple-resonance experiments that yield amino acid type-selective 1H-15N correlations are presented. They are based on novel coherence transfer schemes, the MUSIC pulse sequence elements, that replace the initial INEPT transfer and are selective for XH2 or XH3 (X can be 15N or 13C). The desired amino acid type is thereby selected based on the topology of the side chain. Experiments for Gly (G-HSQC); Ala (A-HSQC); Thr, Val, Ile, and Ala (TAVI-HSQC); Thr and Ala (TA-HSQC), as well as Asn and Gln (N-HSQC and QN-HSQC), are described. The new experiments are recorded as two-dimensional experiments and therefore need only small amounts of spectrometer time. The performance of the experiments is demonstrated with the application to two protein domains.

  7. MUSIC in triple-resonance experiments: amino acid type-selective (1)H-(15)N correlations

    PubMed

    Schubert; Smalla; Schmieder; Oschkinat

    1999-11-01

    Amino acid type-selective triple-resonance experiments can be of great help for the assignment of protein spectra, since they help to remove ambiguities in either manual or automated assignment procedures. Here, modified triple-resonance experiments that yield amino acid type-selective (1)H-(15)N correlations are presented. They are based on novel coherence transfer schemes, the MUSIC pulse sequence elements, that replace the initial INEPT transfer and are selective for XH(2) or XH(3) (X can be (15)N or (13)C). The desired amino acid type is thereby selected based on the topology of the side chain. Experiments for Gly (G-HSQC); Ala (A-HSQC); Thr, Val, Ile, and Ala (TAVI-HSQC); Thr and Ala (TA-HSQC), as well as Asn and Gln (N-HSQC and QN-HSQC), are described. The new experiments are recorded as two-dimensional experiments and therefore need only small amounts of spectrometer time. The performance of the experiments is demonstrated with the application to two protein domains. Copyright 1999 Academic Press. PMID:10527741

  8. UV-visible and (1)H-(15)N NMR spectroscopic studies of colorimetric thiosemicarbazide anion sensors.

    PubMed

    Farrugia, Kristina N; Makuc, Damjan; Podborska, Agnieszka; Szaciłowski, Konrad; Plavec, Janez; Magri, David C

    2015-02-14

    Four model thiosemicarbazide anion chemosensors containing three N-H bonds, substituted with phenyl and/or 4-nitrophenyl units, were synthesised and studied for their anion binding abilities with hydroxide, fluoride, acetate, dihydrogen phosphate and chloride. The anion binding properties were studied in DMSO and 9 : 1 DMSO-H2O by UV-visible absorption and (1)H/(13)C/(15)N NMR spectroscopic techniques and corroborated with DFT studies. Significant changes were observed in the UV-visible absorption spectra with all anions, except for chloride, accompanied by dramatic colour changes visible to the naked eye. These changes were determined to be due to the deprotonation of the central N-H proton and not due to hydrogen bonding based on (1)H/(15)N NMR titration studies with acetate in DMSO-d6-0.5% water. Direct evidence for deprotonation was confirmed by the disappearance of the central thiourea proton and the formation of acetic acid. DFT and charge distribution calculations suggest that for all four compounds the central N-H proton is the most acidic. Hence, the anion chemosensors operate by a deprotonation mechanism of the central N-H proton rather than by hydrogen bonding as is often reported. PMID:25451865

  9. Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Hou, Guangjin; Lu, Xingyu; Vega, Alexander J.; Polenova, Tatyana

    2014-09-01

    We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear 1H-X (X = 13C, 15N, 31P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the 1H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the 1H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from 1H chemical shift anisotropy, while keeping the 1H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [15N]-N-acetyl-valine and [U-13C,15N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate 1H-15N dipolar couplings in the context of 3D experiments is presented on U-13C,15N-enriched dynein light chain protein LC8.

  10. Improved Cross Validation of a Static Ubiquitin Structure Derived from High Precision Residual Dipolar Couplings Measured in a Drug-Based Liquid Crystalline Phase

    PubMed Central

    2014-01-01

    The antibiotic squalamine forms a lyotropic liquid crystal at very low concentrations in water (0.3-3.5% w/v), which remains stable over a wide range of temperature (1-40 °C) and pH (4-8). Squalamine is positively charged, and comparison of the alignment of ubiquitin relative to 36 previously reported alignment conditions shows that it differs substantially from most of these, but is closest to liquid crystalline cetyl pyridinium bromide. High precision residual dipolar couplings (RDCs) measured for the backbone 1H-15N, 15N-13C′, 1Hα-13Cα, and 13C′-13Cα one-bond interactions in the squalamine medium fit well to the static structural model previously derived from NMR data. Inclusion into the structure refinement procedure of these RDCs, together with 1H-15N and 1Hα-13Cα RDCs newly measured in Pf1, results in improved agreement between alignment-induced changes in 13C′ chemical shift, 3JHNHα values, and 13Cα-13Cβ RDCs and corresponding values predicted by the structure, thereby validating the high quality of the single-conformer structural model. This result indicates that fitting of a single model to experimental data provides a better description of the average conformation than does averaging over previously reported NMR-derived ensemble representations. The latter can capture dynamic aspects of a protein, thus making the two representations valuable complements to one another. PMID:24568736

  11. Absolute hydrogen depth profiling using the resonant 1H(15N, αγ)12C nuclear reaction

    NASA Astrophysics Data System (ADS)

    Reinhardt, Tobias P.; Akhmadaliev, Shavkat; Bemmerer, Daniel; Stöckel, Klaus; Wagner, Louis

    2016-08-01

    Resonant nuclear reactions are a powerful tool for the determination of the amount and profile of hydrogen in thin layers of material. Usually, this tool requires the use of a standard of well-known composition. The present work, by contrast, deals with standard-less hydrogen depth profiling. This approach requires precise nuclear data, e.g. on the widely used 1 H(15 N, αγ)12 C reaction, resonant at 6.4 MeV 15 N beam energy. Here, the strongly anisotropic angular distribution of the emitted γ -rays from this resonance has been re-measured, resolving a previous discrepancy. Coefficients of (0.38 ± 0.04) and (0.80 ± 0.04) have been deduced for the second and fourth order Legendre polynomials, respectively. In addition, the resonance strength has been re-evaluated to (25.0 ± 1.5) eV, 10% higher than previously reported. A simple working formula for the hydrogen concentration is given for cases with known γ -ray detection efficiency. Finally, the absolute approach is illustrated using two examples.

  12. Calmodulin tagging provides a general method of using lanthanide induced magnetic field orientation to observe residual dipolar couplings in proteins in solution.

    PubMed

    Feeny, J; Birdsall, B; Bradbury, A F; Biekofsky, R R; Bayley, P M

    2001-09-01

    A general method is presented for magnetic field alignment of proteins in solution. By tagging a target protein with calmodulin saturated with paramagnetic lanthanide ions it is possible to measure substantial residual dipolar couplings (RDC) whilst minimising the effects of pseudocontact shifts on the target protein. A construct was made consisting of a calmodulin-binding peptide (M13 from sk-MLCK) attached to a target protein, dihydrofolate reductase in this case. The engineered protein binds tightly to calmodulin saturated with terbium, a paramagnetic lanthanide ion. By using only a short linker region between the M13 and the target protein, some of the magnetic field alignment induced in the CaM(Tb3+)4 is effectively transmitted to the target protein (DHFR). 1H-15N HSQC IPAP experiments on the tagged complex containing 15N-labelled DHFR-M13 protein and unlabelled CaM(Tb3+)4 allow one to measure RDC contributions in the aligned complex. RDC values in the range +4.0 to -7.4 Hz were measured at 600 MHz. Comparisons of 1H-15N HSQC spectra of 15N-DHFR-M13 alone and its complexes with CaM(Ca2+)4 and CaM(Tb3+)4 indicated that (i) the structure of the target protein is not affected by the complex formation and (ii) the spectra of the target protein are not seriously perturbed by pseudocontact shifts. The use of a relatively large tagging group (CaM) allows us to use a lanthanide ion with a very high magnetic susceptibility anisotropy (such as Tb3+) to give large alignments while maintaining relatively long distances from the target protein nuclei (and hence giving only small pseudocontact shift contributions). PMID:11693567

  13. Improved cross validation of a static ubiquitin structure derived from high precision residual dipolar couplings measured in a drug-based liquid crystalline phase.

    PubMed

    Maltsev, Alexander S; Grishaev, Alexander; Roche, Julien; Zasloff, Michael; Bax, Ad

    2014-03-12

    The antibiotic squalamine forms a lyotropic liquid crystal at very low concentrations in water (0.3-3.5% w/v), which remains stable over a wide range of temperature (1-40 °C) and pH (4-8). Squalamine is positively charged, and comparison of the alignment of ubiquitin relative to 36 previously reported alignment conditions shows that it differs substantially from most of these, but is closest to liquid crystalline cetyl pyridinium bromide. High precision residual dipolar couplings (RDCs) measured for the backbone (1)H-(15)N, (15)N-(13)C', (1)H(α)-(13)C(α), and (13)C'-(13)C(α) one-bond interactions in the squalamine medium fit well to the static structural model previously derived from NMR data. Inclusion into the structure refinement procedure of these RDCs, together with (1)H-(15)N and (1)H(α)-(13)C(α) RDCs newly measured in Pf1, results in improved agreement between alignment-induced changes in (13)C' chemical shift, (3)JHNHα values, and (13)C(α)-(13)C(β) RDCs and corresponding values predicted by the structure, thereby validating the high quality of the single-conformer structural model. This result indicates that fitting of a single model to experimental data provides a better description of the average conformation than does averaging over previously reported NMR-derived ensemble representations. The latter can capture dynamic aspects of a protein, thus making the two representations valuable complements to one another. PMID:24568736

  14. Sequence-specific 1H, 15N and 13C resonance assignments of the 23.7-kDa homodimeric toxin CcdB from Vibrio fischeri.

    PubMed

    Respondek, Michal; Buts, Lieven; De Jonge, Natalie; Haesaerts, Sarah; Loris, Remy; Van Melderen, Laurence; Wyns, Lode; Zangger, Klaus

    2009-06-01

    CcdB is the toxic component of a bacterial toxin-antitoxin system. It inhibits DNA gyrase (a type II topoisomerase), and its toxicity can be neutralized by binding of its antitoxin CcdA. Here we report the sequential backbone and sidechain (1)H, (15)N and (13)C resonance assignments of CcdB(Vfi) from the marine bacterium Vibrio fischeri. The BMRB accession number is 16135. PMID:19636967

  15. On the origin of residual dipolar couplings from denatured proteins.

    PubMed

    Louhivuori, Martti; Pääkkönen, Kimmo; Fredriksson, Kai; Permi, Perttu; Lounila, Juhani; Annila, Arto

    2003-12-17

    Effects of steric obstruction on random flight chains are examined. Spatial probability distributions are elaborated to calculate residual dipolar couplings and residual chemical shift anisotropy, parameters that are acquired by NMR spectroscopy from solutes dissolved in dilute liquid crystals. Calculations yield chain length and residue position-dependent values in good agreement with simulations to provide understanding of recently acquired data from denatured proteins. PMID:14664613

  16. Spectroscopic labeling of A, S/T in the 1H- 15N HSQC spectrum of uniformly ( 15N- 13C) labeled proteins

    NASA Astrophysics Data System (ADS)

    Chugh, Jeetender; Hosur, Ramakrishna V.

    2008-10-01

    A new triple resonance two-dimensional experiment, termed (HC)NH, has been described to generate specific labels on the peaks of alanines and serines/threonines, separately, in the 1H- 15N HSQC spectrum of a protein. The performance of the pulse sequence has been demonstrated with a 151 residue protein. The method permits the investigation of local environments around those specific residues without actually having to obtain complete resonance assignments for the entire protein. With this one can envisage use of the technique for studying large protein systems from different points of view.

  17. Complete 1H, 15N and 13C assignment of trappin-2 and 1H assignment of its two domains, elafin and cementoin.

    PubMed

    Loth, Karine; Alami, Soha Abou Ibrahim; Habès, Chahrazed; Garrido, Solène; Aucagne, Vincent; Delmas, Agnès F; Moreau, Thierry; Zani, Marie-Louise; Landon, Céline

    2016-04-01

    Trappin-2 is a serine protease inhibitor with a very narrow inhibitory spectrum and has significant anti-microbial activities. It is a 10 kDa cationic protein composed of two distinct domains. The N-terminal domain (38 residues) named cementoin is known to be intrinsically disordered when it is not linked to the elafin. The C-terminal domain (57 residues), corresponding to elafin, is a cysteine-rich domain stabilized by four disulfide bridges and is characterized by a flat core and a flexible N-terminal part. To our knowledge, there is no structural data available on trappin-2. We report here the complete (1)H, (15)N and (13)C resonance assignment of the recombinant trappin-2 and the (1)H assignments of cementoin and elafin, under the same experimental conditions. This is the first step towards the 3D structure determination of the trappin-2. PMID:26878852

  18. Solution 1H, 15N NMR spectroscopic characterization of substrate-bound, cyanide-inhibited human heme oxygenase: water occupation of the distal cavity.

    PubMed

    Li, Yiming; Syvitski, Ray T; Auclair, Karine; Ortiz de Montellano, Paul; La Mar, Gerd N

    2003-11-01

    A solution NMR spectroscopic study of the cyanide-inhibited, substrate-bound complex of uniformly (15)N-labeled human heme oxygenase, hHO, has led to characterization of the active site with respect to the nature and identity of strong hydrogen bonds and the occupation of ordered water molecules within both the hydrogen bonding network and an aromatic cluster on the distal side. [(1)H-(15)N]-HSQC spectra confirm the functionalities of several key donors in particularly robust H-bonds, and [(1)H-(15)N]HSQC-NOESY spectra lead to the identification of three additional robust H-bonds, as well as the detection of two more relatively strong H-bonds whose identities could not be established. The 3D NMR experiments provided only a modest, but important, extension of assignments because of the loss of key TOCSY cross-peaks due to the line broadening from a dynamic heterogeneity in the active site. Steady-state NOEs upon saturating the water signal locate nine ordered water molecules in the immediate vicinity of the H-bond donors, six of which are readily identified in the crystal structure. The additional three are positioned in available spaces to account for the observed NOEs. (15)N-filtered steady-state NOEs upon saturating the water resonances and (15)N-filtered NOESY spectra demonstrate significant negative NOEs between water molecules and the protons of five aromatic rings. Many of the NOEs can be rationalized by water molecules located in the crystal structure, but strong water NOEs, particularly to the rings of Phe47 and Trp96, demand the presence of at least an additional two immobilized water molecules near these rings. The H-bond network appears to function to order water molecules to provide stabilization for the hydroperoxy intermediate and to serve as a conduit to the active site for the nine protons required per HO turnover. PMID:14583035

  19. Selective coherence transfers in homonuclear dipolar coupled spin systems

    SciTech Connect

    Ramanathan, Chandrasekhar; Sinha, Suddhasattwa; Havel, Timothy F.; Cory, David G.; Baugh, Jonathan

    2005-02-01

    Controlling the dynamics of a dipolar coupled spin system is critical to the development of solid-state spin-based quantum information processors. Such control remains challenging, as every spin is coupled to a large number of surrounding spins. Here we demonstrate that in an ensemble of spin pairs it is possible to decouple the weaker interactions (weak coupling {omega}{sub D}{sup w}) between different pairs and extend the coherence lifetimes within the two-spin system from 19 {mu}s to 11.1 ms, a factor of 580. This is achieved without decoupling the stronger interaction (strong coupling {omega}{sub D}{sup S}) between the two spins within a pair. An amplitude modulated rf field is applied on resonance with the Larmor frequency of the spins, with amplitude {omega}{sub 1}, and frequency of the modulation matched to the strong coupling. The spin pairs appear isolated from each other in the regime where the rf power satisfies {omega}{sub D}{sup w}<<{omega}{sub 1}<<{omega}{sub D}{sup S}.

  20. A long-lived spin-orbit-coupled dipolar Fermi gas

    NASA Astrophysics Data System (ADS)

    Burdick, Nathaniel; Tang, Yijun; Kao, Wil; Lev, Benjamin

    2016-05-01

    We report on the demonstration of spin-orbit coupling in a quantum degenerate dipolar Fermi gas of dysprosium. The T /TF = 0 . 4 gas has a lifetime as large as 0.4 s under Raman dressing at densities exceeding 1013 cm-3. The lifetime is limited not by spontaneous emission but by dipolar relaxation loss, and the effect of the dipolar interaction is also observed in the dephasing of Rabi oscillations. This spin-orbit-coupled dipolar gas will allow future studies of fermionic systems in the presence of synthetic gauge fields wherein long lifetimes are essential to observing collective effects.

  1. Structural Assembly of Molecular Complexes Based on Residual Dipolar Couplings

    PubMed Central

    Berlin, Konstantin; O’Leary, Dianne P.; Fushman, David

    2010-01-01

    We present and evaluate a rigid-body molecular docking method, called PATIDOCK, that relies solely on the three-dimensional structure of the individual components and the experimentally derived residual dipolar couplings (RDC) for the complex. We show that, given an accurate ab initio predictor of the alignment tensor from a protein structure, it is possible to accurately assemble a protein-protein complex by utilizing the RDC’s sensitivity to molecular shape to guide the docking. The proposed docking method is robust against experimental errors in the RDCs and computationally efficient. We analyze the accuracy and efficiency of this method using experimental or synthetic RDC data for several proteins, as well as synthetic data for a large variety of protein-protein complexes. We also test our method on two protein systems for which the structure of the complex and steric-alignment data are available (Lys48-linked diubiquitin and a complex of ubiquitin and a ubiquitin-associated domain) and analyze the effect of flexible unstructured tails on the outcome of docking. The results demonstrate that it is fundamentally possible to assemble a protein-protein complex based solely on experimental RDC data and the prediction of the alignment tensor from three-dimensional structures. Thus, despite the purely angular nature of residual dipolar couplings, they can be converted into intermolecular distance/translational constraints. Additionally we show a method for combining RDCs with other experimental data, such as ambiguous constraints from interface mapping, to further improve structure characterization of the protein complexes. PMID:20550109

  2. Coupling modes in a dipolar microwave plasma source

    NASA Astrophysics Data System (ADS)

    Lacoste, Ana; Baele, Pierre; Maurau, Remy; Bechu, Stephane; Bes, Alexandre

    2015-09-01

    The multi-dipolar microwave plasma is a suitable technology for the scaling-up of high density plasma processing in the very low pressure range. Effectively, a large area or volume of plasma can be achieved by a mere distribution, over 2 or 3 dimensions, of a number of elementary plasma sources. To enhance the microwave coupling efficiency and optimize the spatial repartition of the elementary plasma sources, it could be helpful to localize the production regions and coupling modes that govern the energy transfer from the wave to the electrons. The main objective of this work is to identify the possible coupling modes as a function of operating parameters. Accordingly, the plasma parameters (electron temperature, density) were correlated together with the electromagnetic radiation, as well as with different coupling modes observed as a function of microwave power. High plasma densities, up to 10 times the critical density (for one source), can be achieved through an efficient transfer of the electrostatic wave energy to the electrons.

  3. Probing the Dipolar Coupling in a Heterospin Endohedral Fullerene-Phthalocyanine Dyad.

    PubMed

    Zhou, Shen; Yamamoto, Masanori; Briggs, G Andrew D; Imahori, Hiroshi; Porfyrakis, Kyriakos

    2016-02-01

    Paramagnetic endohedral fullerenes and phthalocyanine (Pc) complexes are promising building blocks for molecular quantum information processing, for which tunable dipolar coupling is required. We have linked these two spin qubit candidates together and characterized the resulting electron paramagnetic resonance properties, including the spin dipolar coupling between the fullerene spin and the copper spin. Having interpreted the distance-dependent coupling strength quantitatively and further discussed the antiferromagnetic aggregation effect of the CuPc moieties, we demonstrate two ways of tuning the dipolar coupling in such dyad systems: changing the spacer group and adjusting the solution concentration. PMID:26745202

  4. 1H/15N HSQC NMR studies of ligand carboxylate group interactions with arginine residues in complexes of brodimoprim analogues and Lactobacillus casei dihydrofolate reductase.

    PubMed

    Morgan, W D; Birdsall, B; Nieto, P M; Gargaro, A R; Feeney, J

    1999-02-16

    1H and 15N NMR studies have been undertaken on complexes of Lactobacillus casei dihydrofolate reductase (DHFR) formed with analogues of the antibacterial drug brodimoprim (2,4-diamino-5-(3', 5'-dimethoxy-4'-bromobenzyl)pyrimidine) in order to monitor interactions between carboxylate groups on the ligands and basic residues in the protein. These analogues had been designed by computer modeling with carboxylated alkyl chains introduced at the 3'-O position in order to improve their binding properties by making additional interactions with basic groups in the protein. Specific interactions between ligand carboxylate groups and the conserved Arg57 residue have been detected in studies of 1H/15N HSQC spectra of complexes of DHFR with both the 4-carboxylate and the 4, 6-dicarboxylate brodimoprim analogues. The spectra from both complexes showed four resolved signals for the four NHeta protons of the guanidino group of Arg57, and this is consistent with hindered rotation in the guanidino group resulting from interactions with the 4-carboxylate group in each analogue. In the spectra of each complex, one of the protons from each of the two NH2 groups and both nitrogens are considerably deshielded compared to the shielding values normally observed for such nuclei. This pattern of deshielding is that expected for a symmetrical end-on interaction of the carboxylate oxygens with the NHeta12 and NHeta22 guanidino protons. The differences in the degree of deshielding between the complexes of the two structurally similar brodimoprim analogues and the methotrexate indicates that the shielding is very sensitive to geometry, most probably to hydrogen bond lengths. The 1H/15N HSQC spectrum of the DHFR complex with the brodimoprim-6-carboxylate analogue does not feature any deshielded Arg NHeta protons and this argues against a similar interaction with the Arg57 in this case. It has not proved possible to determine whether the 6-carboxylate in this analogue is interacting directly with

  5. Mechanism of the bisphosphatase reaction of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase probed by (1)H-(15)N NMR spectroscopy.

    PubMed

    Okar, D A; Live, D H; Devany, M H; Lange, A J

    2000-08-15

    The histidines in the bisphosphatase domain of rat liver 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase were labeled with (15)N, both specifically at N1' and globally, for use in heteronuclear single quantum correlation (HSQC) NMR spectroscopic analyses. The histidine-associated (15)N resonances were assigned by correlation to the C2' protons which had been assigned previously [Okar et al., Biochemistry 38, 1999, 4471-79]. Acquisition of the (1)H-(15)N HSQC from a phosphate-free sample demonstrated that the existence of His-258 in the rare N1' tautomeric state is dependent upon occupation of the phosphate binding site filled by the O2 phosphate of the substrate, fructose-2,6-bisphosphate, and subsequently, the phosphohistidine intermediate. The phosphohistidine intermediate is characterized by two hydrogen bonds involving the catalytic histidines, His-258 and His-392, which are directly observed at the N1' positions of the imidazole rings. The N1' of phospho-His-258 is protonated ((1)H chemical shift, 14.0 ppm) and hydrogen bonded to the backbone carbonyl of Gly-259. The N1' of cationic His-392 is hydrogen bonded ((1)H chemical shift, 13.5 ppm) to the phosphoryl moiety of the phosphohistidine. The existence of a protonated phospho-His-258 intermediate and the observation of a fairly strong hydrogen bond to the same phosphohistidine implies that hydrolysis of the covalent intermediate proceeds without any requirement for an "activated" water. Using the labeled histidines as probes of the catalytic site mutation of Glu-327 to alanine revealed that, in addition to its function as the proton donor to fructose-6-phosphate during formation of the transient phosphohistidine intermediate at the N3' of His-258, this residue has a significant role in maintaining the structural integrity of the catalytic site. The (1)H-(15)N HSQC data also provide clear evidence that despite being a surface residue, His-446 has a very acidic pK(a), much less than 6.0. On the basis of

  6. From non- to super-radiating manipulation of a dipolar emitter coupled to a toroidal metastructure.

    PubMed

    Li, Jie; Xin, Xing-Xing; Shao, Jian; Wang, Ying-Hua; Li, Jia-Qi; Zhou, Lin; Dong, Zheng-Gao

    2015-11-16

    Toroidal dipolar response in a metallic metastructure, composed of double flat rings, is utilized to manipulate the radiation pattern of a single dipolar emitter (e.g., florescent molecule/atom or quantum dot). Strong Fano-type radiation spectrum can be obtained when these two coupling dipoles are spatially overlapped, leading to significant radiation suppression (so-called nonradiating source) attributed to the dipolar destructive interference. Moreover, this nonradiating configuration will become a directionally super-radiating nanoantenna after a radial displacement of the emitter with respect to the toroidal flat-ring geometry, which emits linearly polarized radiation with orders of power enhancement in a particular orientation. The demonstrated radiation characteristics from a toroidal-dipole-mediated dipolar emitter indicate a promising manipulation capability of the dipolar emission source by intriguing toroidal dipolar response. PMID:26698422

  7. 1H, 15N and 13C resonance assignments of light organ-associated fatty acid-binding protein of Taiwanese fireflies.

    PubMed

    Tseng, Kai-Li; Lee, Yi-Zong; Chen, Yun-Ru; Lyu, Ping-Chiang

    2016-04-01

    Fatty acid-binding proteins (FABPs) are a family of proteins that modulate the transfer of various fatty acids in the cytosol and constitute a significant portion in many energy-consuming cells. The ligand binding properties and specific functions of a particular type of FABP seem to be diverse and depend on the respective binding cavity as well as the cell type from which this protein is derived. Previously, a novel FABP (lcFABP; lc: Luciola cerata) was identified in the light organ of Taiwanese fireflies. The lcFABP was proved to possess fatty acids binding capabilities, especially for fatty acids of length C14-C18. However, the structural details are unknown, and the structure-function relationship has remained to be further investigated. In this study, we finished the (1)H, (15)N and (13)C chemical shift assignments of (15)N/(13)C-enriched lcFABP by solution NMR spectroscopy. In addition, the secondary structure distribution was revealed based on the backbone N, H, Cα, Hα, C and side chain Cβ assignments. These results can provide the basis for further structural exploration of lcFABP. PMID:26373428

  8. Sequence-specific (1)H, (15)N, and (13)C resonance assignments of the autophagy-related protein LC3C.

    PubMed

    Krichel, Carsten; Weiergräber, Oliver H; Pavlidou, Marina; Mohrlüder, Jeannine; Schwarten, Melanie; Willbold, Dieter; Neudecker, Philipp

    2016-04-01

    Autophagy is a versatile catabolic pathway for lysosomal degradation of cytoplasmic material. While the phenomenological and molecular characteristics of autophagic non-selective (bulk) decomposition have been investigated for decades, the focus of interest is increasingly shifting towards the selective mechanisms of autophagy. Both, selective as well as bulk autophagy critically depend on ubiquitin-like modifiers belonging to the Atg8 (autophagy-related 8) protein family. During evolution, Atg8 has diversified into eight different human genes. While all human homologues participate in the formation of autophagosomal membrane compartments, microtubule-associated protein light chain 3C (LC3C) additionally plays a unique role in selective autophagic clearance of intracellular pathogens (xenophagy), which relies on specific protein-protein recognition events mediated by conserved motifs. The sequence-specific (1)H, (15)N, and (13)C resonance assignments presented here form the stepping stone to investigate the high-resolution structure and dynamics of LC3C and to delineate LC3C's complex network of molecular interactions with the autophagic machinery by NMR spectroscopy. PMID:26280529

  9. Measuring (13)C-(2)D dipolar couplings with a universal REDOR dephasing curve

    PubMed

    Gullion

    2000-09-01

    A (13)C-observe REDOR experiment is described which allows (13)C-(2)D dipolar couplings to be obtained by a universal dipolar dephasing curve. Previous (13)C-observe REDOR experiments on (13)C-(2)D spin pairs generally relied on numerical simulations to obtain the dipolar coupling. The REDOR experiment described in this article is based on a deuterium composite pulse, and the data analysis eliminates the need for numerical simulations and is the same as the traditional REDOR analysis performed on pairs of spin-12 nuclei. Copyright 2000 Academic Press. PMID:10968975

  10. 2D 1H and 3D 1H-15N NMR of zinc-rubredoxins: contributions of the beta-sheet to thermostability.

    PubMed Central

    Richie, K. A.; Teng, Q.; Elkin, C. J.; Kurtz, D. M.

    1996-01-01

    Based on 2D 1H-1H and 2D and 3D 1H-15N NMR spectroscopies, complete 1H NMR assignments are reported for zinc-containing Clostridium pasteurianum rubredoxin (Cp ZnRd). Complete 1H NMR assignments are also reported for a mutated Cp ZnRd, in which residues near the N-terminus, namely, Met 1, Lys 2, and Pro 15, have been changed to their counterparts, (-), Ala and Glu, respectively, in rubredoxin from the hyperthermophilic archaeon, Pyrococcus furiosus (Pf Rd). The secondary structure of both wild-type and mutated Cp ZnRds, as determined by NMR methods, is essentially the same. However, the NMR data indicate an extension of the three-stranded beta-sheet in the mutated Cp ZnRd to include the N-terminal Ala residue and Glu 15, as occurs in Pf Rd. The mutated Cp Rd also shows more intense NOE cross peaks, indicating stronger interactions between the strands of the beta-sheet and, in fact, throughout the mutated Rd. However, these stronger interactions do not lead to any significant increase in thermostability, and both the mutated and wild-type Cp Rds are much less thermostable than Pf Rd. These correlations strongly suggest that, contrary to a previous proposal [Blake PR et al., 1992, Protein Sci 1:1508-1521], the thermostabilization mechanism of Pf Rd is not dominated by a unique set of hydrogen bonds or electrostatic interactions involving the N-terminal strand of the beta-sheet. The NMR results also suggest that an overall tighter protein structure does not necessarily lead to increased thermostability. PMID:8732760

  11. Improved accuracy of 15N-1H scalar and residual dipolar couplings from gradient-enhanced IPAP-HSQC experiments on protonated proteins.

    PubMed

    Yao, Lishan; Ying, Jinfa; Bax, Ad

    2009-03-01

    The presence of dipole-dipole cross-correlated relaxation as well as unresolved E.COSY effects adversely impacts the accuracy of (1)J(NH) splittings measured from gradient-enhanced IPAP-HSQC spectra. For isotropic samples, the size of the systematic errors caused by these effects depends on the values of (2)J(NHalpha), (3)J(NHbeta) and (3)J(HNHalpha). Insertion of band-selective (1)H decoupling pulses in the IPAP-HSQC experiment eliminates these systematic errors and for the protein GB3 yields (1)J(NH) splittings that agree to within a root-mean-square difference of 0.04 Hz with values measured for perdeuterated GB3. Accuracy of the method is also highlighted by a good fit to the GB3 structure of the (1)H-(15)N RDCs extracted from the minute differences in (1)J(NH) splitting measured at 500 and 750 MHz (1)H frequencies, resulting from magnetic susceptibility anisotropy. A nearly complete set of (2)J(NHalpha) couplings was measured in GB3 in order to evaluate whether the impact of cross-correlated relaxation is dominated by the (15)N-(1)H(alpha) or (15)N-(1)H(beta) dipolar interaction. As expected, we find that (2)J(NHalpha) < or = 2 Hz, with values in the alpha-helix (0.86 +/- 0.52 Hz) slightly larger than in beta-sheet (0.66 +/- 0.26 Hz). Results indicate that under isotropic conditions, N-H(N)/N-H(beta) cross-correlated relaxation often dominates. Unresolved E.COSY effects under isotropic conditions involve (3)J(HNHalpha) and J(NHalpha), but when weakly aligned any aliphatic proton proximate to both N and H(N) can contribute. PMID:19205898

  12. Measurement of Heteronuclear Dipolar Coupling by Transferred-Echo Double-Resonance NMR

    NASA Astrophysics Data System (ADS)

    Hing, A. W.; Vega, S.; Schaefer, J.

    A magic-angle spinning experiment called transferred-echo double resonance (TEDOR) has been introduced recently to measure the I-S dipolar coupling of heteronuclear I-S pairs of spin- {1}/{2} nuclei while eliminating unwanted background signals from uncoupled I and S spins via a coherence-transfer process. In this paper, a quantitative description of the TEDOR experiment is given in terms of the evolution of the density matrix for a pair of heteronuclear spins. The resulting equations provide a theoretical basis for evaluating the selectivity and sensitivity of TEDOR and suggest strategies for determining dipolar coupling constants directly from TEDOR data. Experimental examples illustrating these aspects of TEDOR are provided by studies performed on a range of 13C- 15N dipolar couplings found in double-labeled asparagine, alanine, glycine, and the linear peptide antibiotic, gramicidin.

  13. Two-component dipolar Bose-Einstein condensate in concentrically coupled annular traps

    PubMed Central

    Zhang, Xiao-Fei; Han, Wei; Wen, Lin; Zhang, Peng; Dong, Rui-Fang; Chang, Hong; Zhang, Shou-Gang

    2015-01-01

    Dipolar Bosonic atoms confined in external potentials open up new avenues for quantum-state manipulation and will contribute to the design and exploration of novel functional materials. Here we investigate the ground-state and rotational properties of a rotating two-component dipolar Bose-Einstein condensate, which consists of both dipolar bosonic atoms with magnetic dipole moments aligned vertically to the condensate and one without dipole moments, confined in concentrically coupled annular traps. For the nonrotational case, it is found that the tunable dipolar interaction can be used to control the location of each component between the inner and outer rings, and to induce the desired ground-state phase. Under finite rotation, it is shown that there exists a critical value of rotational frequency for the nondipolar case, above which vortex state can form at the trap center, and the related vortex structures depend strongly on the rotational frequency. For the dipolar case, it is found that various ground-state phases and the related vortex structures, such as polygonal vortex clusters and vortex necklaces, can be obtained via a proper choice of the dipolar interaction and rotational frequency. Finally, we also study and discuss the formation process of such vortex structures. PMID:25731962

  14. Two-component dipolar Bose-Einstein condensate in concentrically coupled annular traps.

    PubMed

    Zhang, Xiao-Fei; Han, Wei; Wen, Lin; Zhang, Peng; Dong, Rui-Fang; Chang, Hong; Zhang, Shou-Gang

    2015-01-01

    Dipolar Bosonic atoms confined in external potentials open up new avenues for quantum-state manipulation and will contribute to the design and exploration of novel functional materials. Here we investigate the ground-state and rotational properties of a rotating two-component dipolar Bose-Einstein condensate, which consists of both dipolar bosonic atoms with magnetic dipole moments aligned vertically to the condensate and one without dipole moments, confined in concentrically coupled annular traps. For the nonrotational case, it is found that the tunable dipolar interaction can be used to control the location of each component between the inner and outer rings, and to induce the desired ground-state phase. Under finite rotation, it is shown that there exists a critical value of rotational frequency for the nondipolar case, above which vortex state can form at the trap center, and the related vortex structures depend strongly on the rotational frequency. For the dipolar case, it is found that various ground-state phases and the related vortex structures, such as polygonal vortex clusters and vortex necklaces, can be obtained via a proper choice of the dipolar interaction and rotational frequency. Finally, we also study and discuss the formation process of such vortex structures. PMID:25731962

  15. Flagella as a novel alignment medium for the measurement of residual dipolar couplings in proteins.

    PubMed

    Singh, Himanshu; Shukla, Manish; Rao, Basuthkar J; Chary, Kandala V R

    2013-12-18

    The two flexible rod-like flagella (∼500 nm in diameter and 5-15 μm long) of Chlamydomonas reinhardtii, a unicellular green alga, can weakly align molecules in an external magnetic field, thereby enabling the measurement of various residual dipolar couplings in solution NMR spectroscopy. PMID:24165953

  16. Coupled states of electromagnetic fields with magnetic-dipolar-mode vortices: Magnetic-dipolar-mode vortex polaritons

    SciTech Connect

    Kamenetskii, E. O.; Joffe, R.; Shavit, R.

    2011-08-15

    A coupled state of an electromagnetic field with an electric or magnetic dipole-carrying excitation is well known as a polariton. Such a state is the result of the mixing of a photon with the excitation of a material. The most discussed types of polaritons are phonon polaritons, exciton polaritons, and surface-plasmon polaritons. Recently, it was shown that, in microwaves, strong magnon-photon coupling can be achieved due to magnetic-dipolar-mode (MDM) vortices in small thin-film ferrite disks. These coupled states can be specified as MDM-vortex polaritons. In this paper, we study the properties of MDM-vortex polaritons. We numerically analyze a variety of topological structures of MDM-vortex polaritons. Based on analytical studies of the MDM spectra, we give theoretical insight into a possible origin for the observed topological properties of the fields. We show that the MDM-vortex polaritons are characterized by helical-mode resonances. We demonstrate the PT-invariance properties of MDM oscillations in a quasi-two-dimensional ferrite disk and show that such properties play an essential role in the physics of the observed topologically distinctive states with the localization or cloaking of electromagnetic fields. We may suppose that one of the useful implementations of the MDM-vortex polaritons could be microwave metamaterial structures and microwave near-field sensors.

  17. Measurement of carbon-proton dipolar couplings in liquid crystals using DAPT.

    PubMed

    Jayanthi, S; Madhu, P K; Ramanathan, K V

    2008-11-01

    Dipolar couplings provide valuable information on order and dynamics in liquid crystals. For measuring heteronuclear dipolar couplings in oriented systems, a new separated local field experiment is presented here. The method is based on the dipolar assisted polarization transfer (DAPT) pulse sequence proposed recently (Chem. Phys. Lett. 2007, 439, 407) for transfer of polarization between two spins I and S. DAPT utilizes the evolution of magnetization of the I and S spins under two blocks of phase shifted BLEW-12 pulses on the I spin separated by a 90 degree pulse on the S spin. Compared to the rotating frame techniques based on Hartmann-Hahn match, this approach is easy to implement and is independent of any matching conditions. DAPT can be utilized either as a proton encoded local field (PELF) technique or as a separated local field (SLF) technique, which means that the heteronuclear dipolar coupling can be obtained by following either the evolution of the abundant spin like proton (PELF) or that of the rare spin such as carbon (SLF). We have demonstrated the use of DAPT both as a PELF and as a SLF technique on an oriented liquid crystalline sample at room temperature and also have compared its performance with PISEMA. We have also incorporated modifications to the original DAPT pulse sequence for (i) improving its sensitivity and (ii) removing carrier offset dependence. PMID:18841947

  18. Spin-orbit coupled Fermi liquid theory of ultracold magnetic dipolar fermions

    NASA Astrophysics Data System (ADS)

    Li, Yi; Wu, Congjun

    2012-05-01

    We investigate Fermi liquid states of the ultracold magnetic dipolar Fermi gases in the simplest two-component case including both thermodynamic instabilities and collective excitations. The magnetic dipolar interaction is invariant under the simultaneous spin-orbit rotation but not under either the spin or the orbit one. Therefore, the corresponding Fermi liquid theory is intrinsically spin-orbit coupled. This is a fundamental feature of magnetic dipolar Fermi gases different from electric dipolar ones. The Landau interaction matrix is calculated and is diagonalized in terms of the spin-orbit coupled partial-wave channels of the total angular momentum J. The leading thermodynamic instabilities lie in the channels of ferromagnetism hybridized with the ferronematic order with J=1+ and the spin-current mode with J=1-, where + and - represent even and odd parities, respectively. An exotic propagating collective mode is identified as spin-orbit coupled Fermi surface oscillations in which spin distribution on the Fermi surface exhibits a topologically nontrivial hedgehog configuration.

  19. Partial alignment and measurement of residual dipolar couplings of proteins under high hydrostatic pressure

    PubMed Central

    Fu, Yinan; Wand, A. Joshua

    2013-01-01

    High-pressure NMR spectroscopy has emerged as a complementary approach for investigating various structural and thermodynamic properties of macromolecules. Noticeably absent from the array of experimental restraints that have been employed to characterize protein structures at high hydrostatic pressure is the residual dipolar coupling, which requires the partial alignment of the macromolecule of interest. Here we examine five alignment media that are commonly used at ambient pressure for this purpose. We find that the spontaneous alignment of Pf1 phage, d(GpG) and a C12E5/n-hexnanol mixture in a magnetic field is preserved under high hydrostatic pressure. However, DMPC/ DHPC bicelles and collagen gel are found to be unsuitable. Evidence is presented to demonstrate that pressure-induced structural changes can be identified using the residual dipolar coupling. PMID:23807390

  20. Phase locking of spin-torque nano-oscillator pairs with magnetic dipolar coupling

    NASA Astrophysics Data System (ADS)

    Chen, Hao-Hsuan; Lee, Ching-Ming; Zhang, Zongzhi; Liu, Yaowen; Wu, Jong-Ching; Horng, Lance; Chang, Ching-Ray

    2016-06-01

    A spin-torque nanopillar oscillator (STNO) that combines a perpendicular-to-plane polarizer (PERP) with an in-plane magnetized free layer is a good candidate for phase locking, which opens a potential approach to enhancement of the output power of STNOs. In this paper, the magnetic dipolar coupling effect is used as the driving force to synchronize two STNOs. We develop an approximation theory for synchronizing two identical and nonidentical pairs of PERP STNOs, by which the critical current of synchronization, dipolar coupling strength, phase-locking transient time, and frequency can be analytically predicted. These predictions are further confirmed by macrospin and micromagnetic simulations. Finally, we show the phase diagrams of the phase locking as a function of applied current and separation between two STNOs.

  1. Determining carbon-carbon connectivities in natural abundance organic powders using dipolar couplings.

    PubMed

    Dekhil, Myriam; Mollica, Giulia; Bonniot, Tristan Texier; Ziarelli, Fabio; Thureau, Pierre; Viel, Stéphane

    2016-06-30

    We present a solid-state NMR methodology capable of investigating the carbon skeleton of natural abundance organic powders. The methodology is based on the (13)C-(13)C dipolar coupling interaction and allows carbon-carbon connectivities to be unambiguously established for a wide range of organic solids. This methodology is particularly suitable for disordered solids, such as natural or synthetic macromolecules, which cannot be studied using conventional diffraction or NMR techniques. PMID:27319808

  2. Collection of NMR Scalar and Residual Dipolar Couplings Using a Single Experiment.

    PubMed

    Gil-Silva, Leandro F; Santamaría-Fernández, Raquel; Navarro-Vázquez, Armando; Gil, Roberto R

    2016-01-11

    A new DMSO-compatible aligning gel based on cross-linked poly(2-hydroxylethyl methacrylate) (poly-HEMA) has been developed. Due to a significant difference in bulk magnetic susceptibility between the DMSO inside and outside the gel, it is possible to simultaneously collect isotropic and anisotropic NMR data, such as residual dipolar couplings (RDC), in the same NMR tube. RDC-assisted structural analysis of menthol and the alkaloid retrorsine is reported as proof of concept. PMID:26515991

  3. Synthesis of 7-15N-Oroidin and Evaluation of Utility for Biosynthetic Studies of Pyrrole-Imidazole Alkaloids by Microscale1H-15N HSQC and FTMS†

    PubMed Central

    Wang, Yong-Gang; Morinaka, Brandon I.; Reyes, Jeremy Chris P.; Wolff, Jeremy H.; Romo, Daniel; Molinski, Tadeusz F.

    2010-01-01

    Numerous marine-derived pyrrole-imidazole alkaloids (PIAs), ostensibly derived from the simple precursor oroidin, 1a, have been reported and have garnered intense synthetic interest due to their complex structures and in some cases biological activity; however very little is known regarding their biosynthesis. We describe a concise synthesis of 7-15N-oroidin (1d) from urocanic acid and a direct method for measurement of 15N incorporation by pulse labeling and analysis by 1D 1H-15N HSQC NMR and FTMS. Using a mock pulse labeling experiment, we estimate the limit of detection (LOD) for incorporation of newly biosynthesized PIA by 1D 1H-15N HSQC to be 0.96 μg equivalent of 15N oroidin (2.4 nmole) in a background of 1500 μg unlabeled oroidin (about 1 part per 1600). 7-15N-Oroidin will find utility in biosynthetic feeding experiments with live sponges to provide direct information to clarify the pathways leading to more complex pyrrole-imidazole alkaloids. PMID:20095632

  4. Measurement of Large Dipolar Couplings of a Liquid Crystal with Terminal Phenyl Rings and Estimation of the Order Parameters.

    PubMed

    Kumar, R V Sudheer; Ramanathan, Krishna V

    2015-07-20

    NMR spectroscopy is a powerful means of studying liquid-crystalline systems at atomic resolutions. Of the many parameters that can provide information on the dynamics and order of the systems, (1) H-(13) C dipolar couplings are an important means of obtaining such information. Depending on the details of the molecular structure and the magnitude of the order parameters, the dipolar couplings can vary over a wide range of values. Thus the method employed to estimate the dipolar couplings should be capable of estimating both large and small dipolar couplings at the same time. For this purpose, we consider here a two-dimensional NMR experiment that works similar to the insensitive nuclei enhanced by polarization transfer (INEPT) experiment in solution. With the incorporation of a modification proposed earlier for experiments with low radio frequency power, the scheme is observed to enable a wide range of dipolar couplings to be estimated at the same time. We utilized this approach to obtain dipolar couplings in a liquid crystal with phenyl rings attached to either end of the molecule, and estimated its local order parameters. PMID:26014117

  5. Direct Observation of Field and Temperature Induced Domain Replication in Dipolar Coupled Perpendicular Anisotropy Films

    SciTech Connect

    Hauet, T.; Gunther, C.M.; Pfau, B.; Eisebitt, S.; Fischer, P.; Rick, R. L.; Thiele, J.-U.; Hellwig, O.; Schabes, M.E.

    2007-07-01

    Dipolar interactions in a soft/Pd/hard [CoNi/Pd]{sub 30}/Pd/[Co/Pd]{sub 20} multilayer system, where a thick Pd layer between two ferromagnetic units prevents direct exchange coupling, are directly revealed by combining magnetometry and state-of-the-art layer resolving soft x-ray imaging techniques with sub-100-nm spatial resolution. The domains forming in the soft layer during external magnetic field reversal are found to match the domains previously trapped in the hard layer. The low Curie temperature of the soft layer allows varying its intrinsic parameters via temperature and thus studying the competition with dipolar fields due to the domains in the hard layer. Micromagnetic simulations elucidate the role of [CoNi/Pd] magnetization, exchange, and anisotropy in the duplication process. Finally, thermally driven domain replication in remanence during temperature cycling is demonstrated.

  6. Tunable negligible-loss energy transfer between dipolar-coupled magnetic disks by stimulated vortex gyration

    PubMed Central

    Jung, Hyunsung; Lee, Ki-Suk; Jeong, Dae-Eun; Choi, Youn-Seok; Yu, Young-Sang; Han, Dong-Soo; Vogel, Andreas; Bocklage, Lars; Meier, Guido; Im, Mi-Young; Fischer, Peter; Kim, Sang-Koog

    2011-01-01

    A wide variety of coupled harmonic oscillators exist in nature. Coupling between different oscillators allows for the possibility of mutual energy transfer between them and the information-signal propagation. Low-energy input signals and their transport with negligible energy loss are the key technological factors in the design of information-signal processing devices. Here, utilizing the concept of coupled oscillators, we experimentally demonstrated a robust new mechanism for energy transfer between spatially separated dipolar-coupled magnetic disks - stimulated vortex gyration. Direct experimental evidence was obtained by a state-of-the-art experimental time-resolved soft X-ray microscopy probe. The rate of energy transfer from one disk to the other was deduced from the two normal modes' frequency splitting caused by dipolar interaction. This mechanism provides the advantages of tunable energy transfer rates, low-power input signals and negligible energy loss in the case of negligible intrinsic damping. Coupled vortex-state disks might be implemented in applications for information-signal processing. PMID:22355578

  7. Thermodynamics of dipolar hard spheres with low-to-intermediate coupling constants.

    PubMed

    Elfimova, Ekaterina A; Ivanov, Alexey O; Camp, Philip J

    2012-08-01

    The thermodynamic properties of the dipolar hard-sphere fluid are studied using theory and simulation. A new theory is derived using a convenient mathematical approximation for the Helmholtz free energy relative to that for the hard-sphere fluid. The approximation is designed to give the correct low-density virial expansion. New theoretical and numerical results for the fourth virial coefficient are given. Predictions of thermodynamic functions for dipolar coupling constants λ=1 and 2 show excellent agreement with simulation results, even at the highest value of the particle volume fraction φ. For higher values of λ, there are deviations at high volume fractions, but the correct low-density behavior is retained. The theory is compared critically against the established thermodynamic perturbation theory; it gives significant improvements at low densities and is more convenient in terms of the required numerics. Dipolar hard spheres provide a basic model for ferrofluids, and the theory is accurate for typical experimental parameters λ

  8. Backbone 1H, 15N, and 13C resonance assignments and secondary structure of a novel protein OGL-20P(T)-358 from hyperthermophile Thermococcus thioreducens sp. nov.

    PubMed

    Wilson, Randall; Hughes, Ronny; Curto, Ernest; Ng, Joseph; Twigg, Pamela

    2007-12-31

    OGL-20P(T)-358 is a novel 66 amino acid residue protein from the hyperthermophile Thermococcus thioreducens sp. nov., strain OGL-20PT, which was collected from the wall of the hydrothermal black smoker in the Rainbow Vent along the mid-Atlantic ridge. This protein, which has no detectable sequence homology with proteins or domains of known function, has a calculated pI of 4.76 and a molecular mass of 8.2 kDa. We report here the backbone 1H, 15N, and 13C resonance assignments of OGL-20PT-358. Assignments are 97.5% (316/324) complete. Chemical shift index was used to determine the secondary structure of the protein, which appears to consist of primarily alpha-helical regions. This work is the foundation for future studies to determine the three-dimensional solution structure of the protein. PMID:18182861

  9. A conformational study of N -acetyl glucosamine derivatives utilizing residual dipolar couplings

    NASA Astrophysics Data System (ADS)

    Kramer, Markus; Kleinpeter, Erich

    2011-09-01

    The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.

  10. Superferromagnetism in dipolarly coupled L10 FePt nanodots with perpendicular magnetization

    NASA Astrophysics Data System (ADS)

    Bedanta, S.; Seki, T.; Iwama, H.; Shima, T.; Takanashi, K.

    2015-10-01

    The magnetization reversal for perpendicularly magnetized L10-FePt (001) nanodots with different interdot distances was studied by magnetic domain observation. We show the results for two kinds of dot arrays: (i) the dots with physical percolation leading to direct exchange coupling, and (ii) the dots which are fully isolated experiencing only dipolar interaction. For the physically percolated dot array, ferromagnetic domains were observed in which domain expanded with magnetic field. On the other hand, the array with the isolated FePt dots also exhibited domain like features resembling to the percolated dots, indicating the existence of superferromagnetism in the array of FePt nanodots.

  11. Investigating protein conformational energy landscapes and atomic resolution dynamics from NMR dipolar couplings: a review

    NASA Astrophysics Data System (ADS)

    Salmon, Loïc; Blackledge, Martin

    2015-12-01

    Nuclear magnetic resonance spectroscopy is exquisitely sensitive to protein dynamics. In particular inter-nuclear dipolar couplings, that become measurable in solution when the protein is dissolved in a dilute liquid crystalline solution, report on all conformations sampled up to millisecond timescales. As such they provide the opportunity to describe the Boltzmann distribution present in solution at atomic resolution, and thereby to map the conformational energy landscape in unprecedented detail. The development of analytical methods and approaches based on numerical simulation and their application to numerous biologically important systems is presented.

  12. Transition to miscibility in linearly coupled binary dipolar Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Gligorić, Goran; Maluckov, Aleksandra; Stepić, Milutin; Hadžievski, Ljupčo; Malomed, Boris A.

    2010-09-01

    We investigate the effects of dipole-dipole (DD) interactions on immiscibility-miscibility transitions (IMT’s) in two-component Bose-Einstein condensates (BEC’s) trapped in the harmonic-oscillator (HO) potential, with the components linearly coupled by a resonant electromagnetic field (accordingly, the components represent two different spin states of the same atom). The problem is studied by means of direct numerical simulations. Different mutual orientations of the dipolar moments in the two components are considered. It is shown that, in the binary BEC formed by dipoles with the same orientation and equal magnitudes, the IMT cannot be induced by the DD interaction alone, being possible only in the presence of the linear coupling between the components, while the miscibility threshold is affected by the DD interactions. However, in the binary condensate with the two dipolar components polarized in opposite directions, the IMT can be induced without any linear coupling. Further, we demonstrate that those miscible and immiscible localized states, formed in the presence of the DD interactions, which are unstable evolve into robust breathers, which tend to keep the original miscibility or immiscibility, respectively. An exception is the case of a very strong DD attraction, when narrow stationary modes are destroyed by the instability. The binary BEC composed of copolarized dipoles with different magnitudes are briefly considered as well.

  13. Transition to miscibility in linearly coupled binary dipolar Bose-Einstein condensates

    SciTech Connect

    Gligoric, Goran; Stepic, Milutin; Hadzievski, Ljupco; Maluckov, Aleksandra; Malomed, Boris A.

    2010-09-15

    We investigate the effects of dipole-dipole (DD) interactions on immiscibility-miscibility transitions (IMT's) in two-component Bose-Einstein condensates (BEC's) trapped in the harmonic-oscillator (HO) potential, with the components linearly coupled by a resonant electromagnetic field (accordingly, the components represent two different spin states of the same atom). The problem is studied by means of direct numerical simulations. Different mutual orientations of the dipolar moments in the two components are considered. It is shown that, in the binary BEC formed by dipoles with the same orientation and equal magnitudes, the IMT cannot be induced by the DD interaction alone, being possible only in the presence of the linear coupling between the components, while the miscibility threshold is affected by the DD interactions. However, in the binary condensate with the two dipolar components polarized in opposite directions, the IMT can be induced without any linear coupling. Further, we demonstrate that those miscible and immiscible localized states, formed in the presence of the DD interactions, which are unstable evolve into robust breathers, which tend to keep the original miscibility or immiscibility, respectively. An exception is the case of a very strong DD attraction, when narrow stationary modes are destroyed by the instability. The binary BEC composed of copolarized dipoles with different magnitudes are briefly considered as well.

  14. Dipolar-coupling-mediated total correlation spectroscopy in solid-state 13C NMR: Selection of individual 13C- 13C dipolar interactions

    NASA Astrophysics Data System (ADS)

    Spano, Justin; Wi, Sungsool

    2010-06-01

    Herein is described a useful approach in solid-state NMR, for selecting homonuclear 13C- 13C spin pairs in a multiple- 13C homonuclear dipolar coupled spin system. This method builds upon the zero-quantum (ZQ) dipolar recoupling method introduced by Levitt and coworkers (Marin-Montesinos et al., 2006 [30]) by extending the originally introduced one-dimensional (1D) experiment into a two-dimensional (2D) method with selective irradiation scheme, while moving the 13C- 13C mixing scheme from the transverse to the longitudinal mode, together with a dramatic improvement in the proton decoupling efficiency. Selective spin-pair recoupling experiments incorporating Gaussian and cosine-modulated Gaussian pulses for inverting specific spins were performed, demonstrating the ability to detect informative, simplified/individualized, long-range 13C- 13C homonuclear dipolar coupling interactions more accurately by removing less informative, stronger, short-range 13C- 13C interactions from 2D correlation spectra. The capability of this new approach was demonstrated experimentally on uniformly 13C-labeled Glutamine and a tripeptide sample, GAL.

  15. Efficient Synchronization of Dipolarly Coupled Vortex-Based Spin Transfer Nano-Oscillators

    NASA Astrophysics Data System (ADS)

    Locatelli, Nicolas; Hamadeh, Abbass; Abreu Araujo, Flavio; Belanovsky, Anatoly D.; Skirdkov, Petr N.; Lebrun, Romain; Naletov, Vladimir V.; Zvezdin, Konstantin A.; Muñoz, Manuel; Grollier, Julie; Klein, Olivier; Cros, Vincent; de Loubens, Grégoire

    2015-11-01

    Due to their nonlinear properties, spin transfer nano-oscillators can easily adapt their frequency to external stimuli. This makes them interesting model systems to study the effects of synchronization and brings some opportunities to improve their microwave characteristics in view of their applications in information and communication technologies and/or to design innovative computing architectures. So far, mutual synchronization of spin transfer nano-oscillators through propagating spinwaves and exchange coupling in a common magnetic layer has been demonstrated. Here we show that the dipolar interaction is also an efficient mechanism to synchronize neighbouring oscillators. We experimentally study a pair of vortex-based spin transfer nano-oscillators, in which mutual synchronization can be achieved despite a significant frequency mismatch between oscillators. Importantly, the coupling efficiency is controlled by the magnetic configuration of the vortices, as confirmed by an analytical model and micromagnetic simulations highlighting the physics at play in the synchronization process.

  16. Lanthanide induced residual dipolar couplings for the conformational investigation of peripheral 15NH2 moieties.

    PubMed

    Bertini, I; Felli, I C; Luchinat, C

    2000-12-01

    The Ca2 calbindin protein in which one calcium has been substituted with Ce(III), Yb(III) and Dy(III) displays substantial alignment in high magnetic fields due to the high anisotropy of the metal magnetic susceptibility. This property has allowed the measurement of residual dipolar coupling contributions to 1J(HN) and 2J(HH) couplings of asparagine and glutamine NH2 moieties. Such data have been used to aid structural characterization of these groups. The exploitation of auto-orientation of magnetic anisotropic metalloproteins represents a step ahead in the investigation of the conformational space of peripheral residues that are not fixed by the protein folding. PMID:11200529

  17. Efficient Synchronization of Dipolarly Coupled Vortex-Based Spin Transfer Nano-Oscillators

    PubMed Central

    Locatelli, Nicolas; Hamadeh, Abbass; Abreu Araujo, Flavio; Belanovsky, Anatoly D.; Skirdkov, Petr N.; Lebrun, Romain; Naletov, Vladimir V.; Zvezdin, Konstantin A.; Muñoz, Manuel; Grollier, Julie; Klein, Olivier; Cros, Vincent; de Loubens, Grégoire

    2015-01-01

    Due to their nonlinear properties, spin transfer nano-oscillators can easily adapt their frequency to external stimuli. This makes them interesting model systems to study the effects of synchronization and brings some opportunities to improve their microwave characteristics in view of their applications in information and communication technologies and/or to design innovative computing architectures. So far, mutual synchronization of spin transfer nano-oscillators through propagating spinwaves and exchange coupling in a common magnetic layer has been demonstrated. Here we show that the dipolar interaction is also an efficient mechanism to synchronize neighbouring oscillators. We experimentally study a pair of vortex-based spin transfer nano-oscillators, in which mutual synchronization can be achieved despite a significant frequency mismatch between oscillators. Importantly, the coupling efficiency is controlled by the magnetic configuration of the vortices, as confirmed by an analytical model and micromagnetic simulations highlighting the physics at play in the synchronization process. PMID:26608230

  18. Efficient Synchronization of Dipolarly Coupled Vortex-Based Spin Transfer Nano-Oscillators.

    PubMed

    Locatelli, Nicolas; Hamadeh, Abbass; Abreu Araujo, Flavio; Belanovsky, Anatoly D; Skirdkov, Petr N; Lebrun, Romain; Naletov, Vladimir V; Zvezdin, Konstantin A; Muñoz, Manuel; Grollier, Julie; Klein, Olivier; Cros, Vincent; de Loubens, Grégoire

    2015-01-01

    Due to their nonlinear properties, spin transfer nano-oscillators can easily adapt their frequency to external stimuli. This makes them interesting model systems to study the effects of synchronization and brings some opportunities to improve their microwave characteristics in view of their applications in information and communication technologies and/or to design innovative computing architectures. So far, mutual synchronization of spin transfer nano-oscillators through propagating spinwaves and exchange coupling in a common magnetic layer has been demonstrated. Here we show that the dipolar interaction is also an efficient mechanism to synchronize neighbouring oscillators. We experimentally study a pair of vortex-based spin transfer nano-oscillators, in which mutual synchronization can be achieved despite a significant frequency mismatch between oscillators. Importantly, the coupling efficiency is controlled by the magnetic configuration of the vortices, as confirmed by an analytical model and micromagnetic simulations highlighting the physics at play in the synchronization process. PMID:26608230

  19. Resolution enhancement in spectra of natural products dissolved in weakly orienting media with the help of 1H homonuclear dipolar decoupling during acquisition: Application to 1H- 13C dipolar couplings measurements

    NASA Astrophysics Data System (ADS)

    Farjon, Jonathan; Bermel, Wolfgang; Griesinger, Christian

    2006-05-01

    In weakly orienting media such as poly-γ-benzyl- L-glutamate (PBLG) a polymer that forms a chiral liquid crystal in organic solvents, the spectral resolution for embedded molecules is usually poor because of numerous 1H, 1H dipolar couplings that generally broaden proton spectra. Therefore 1H, 13C dipolar couplings are difficult or impossible to measure. Here, we incorporate Flip-Flop decoupling during detection into an HSQC experiment. Flip-Flop removes the 1H, 1H dipolar couplings and scales the chemical shifts of the protons as well as the 1H, 13C dipolar couplings during detection. A resolution gain by a factor 1.5-4.2 and improved signal intensity by an average factor of 1.6-1.7 have been obtained. This technique is demonstrated on (+)-menthol dissolved in a PBLG/CDCl 3 phase.

  20. Composite alignment media for the measurement of independent sets of NMR residual dipolar couplings.

    PubMed

    Ruan, Ke; Tolman, Joel R

    2005-11-01

    The measurement of independent sets of NMR residual dipolar couplings (RDCs) in multiple alignment media can provide a detailed view of biomolecular structure and dynamics, yet remains experimentally challenging. It is demonstrated here that independent sets of RDCs can be measured for ubiquitin using just a single alignment medium composed of aligned bacteriophage Pf1 particles embedded in a strained polyacrylamide gel matrix. Using this composite medium, molecular alignment can be modulated by varying the angle between the directors of ordering for the Pf1 and strained gel matrix, or by varying the ionic strength or concentration of the Pf1 particles. This approach offers significant advantages in that greater experimental control can be exercised over the acquisition of multi-alignment RDC data while a homogeneous chemical environment is maintained across all of the measured RDC data. PMID:16248635

  1. Compiled data set of exact NOE distance limits, residual dipolar couplings and scalar couplings for the protein GB3

    PubMed Central

    Vögeli, Beat; Olsson, Simon; Riek, Roland; Güntert, Peter

    2015-01-01

    We compiled an NMR data set consisting of exact nuclear Overhauser enhancement (eNOE) distance limits, residual dipolar couplings (RDCs) and scalar (J) couplings for GB3, which forms one of the largest and most diverse data set for structural characterization of a protein to date. All data have small experimental errors, which are carefully estimated. We use the data in the research article Vogeli et al., 2015, Complementarity and congruence between exact NOEs and traditional NMR probes for spatial decoding of protein dynamics, J. Struct. Biol., 191, 3, 306–317, doi:10.1016/j.jsb.2015.07.008 [1] for cross-validation in multiple-state structural ensemble calculation. We advocate this set to be an ideal test case for molecular dynamics simulations and structure calculations. PMID:26504890

  2. Simultaneous measurement of protein one-bond residual dipolar couplings without increased resonance overlap.

    PubMed

    Vijayan, Vinesh; Zweckstetter, Markus

    2005-06-01

    A NMR strategy designed to measure simultaneously and without increased resonance overlap scalar and dipolar couplings (RDCs) in (13)C-, (15)N-labeled proteins is presented. Contrary to common schemes for simultaneous measurement of RDCs, a single reference experiment is used for the extraction of more than one type of coupling, thereby reducing the required measurement time. This is accomplished by a common reference spectrum followed by a series of interleaved experiments, in which a particular coupling dependent parameter is varied according to the quantitative J-correlation method or using accordion spectroscopy. To illustrate this idea, we have modified the 3D TROSY-HNCO and the 3D CBCA(CO)NH experiment allowing efficient measurement of one-bond (1)D(NH), (1)D(C'N), (1)D(CalphaHalpha), (1)D(CbetaHbeta), and (1)D(CalphaC') couplings in small to medium sized proteins. In addition, the experiments are expected to be useful for largely unfolded proteins, which show strong resonance overlap but have very favorable relaxation properties. Measurement of RDCs is demonstrated on uniformly (15)N-(13)C-labeled ubiquitin and on the sensory domain of the membraneous two-component fumarate sensor DcuS of Escherichia coli (17 kDa). DcuS was found to be unstable and to precipitate in one to two weeks. RDCs obtained from these experiments are in good agreement with the 1.8A X-ray structure of ubiquitin. PMID:15862241

  3. Effects of intramolecular dipolar coupling on the isotropic-nematic phase transition of a hard spherocylinder fluid

    NASA Astrophysics Data System (ADS)

    Williamson, David C.; Thacker, Neil A.; Williams, Stephen R.

    2005-02-01

    The thermodynamics of a simple model, containing the minimum set of features required to provide liquid crystal-like phase behavior and the dipolar coupling observable in the NMR spectrum of orientationally ordered fluids, are presented within the framework of Onsager theory. The model comprises a fluid of hard spherocylinders with a pair of embedded freely rotating magnetic dipoles. The behavior of the isotropic-nematic phase transition is explored as a function magnetic field strength and of the relative orientation between the nematic director and the external magnetic field. When the field and director are aligned the phase diagram is similar to those predicted for a hard rod fluid in flow fields, electric fields, and magnetic fields, with the field promoting orientational order in the fluid and the isotropic-nematic phase transition being replaced by a paranematic-nematic phase transition. In contrast, when the field and director are perpendicular, the field destabilizes the nematic phase and the phase transition is shifted to higher densities. The variation of the mean magnetic moment and the dipolar coupling are examined as a function of the orientational structure of the fluid. The model is used to support the hypothesis that dipolar couplings observed in the spectra of human leg muscle originate from nematiclike liquid crystal phases in relatively small metabolite molecules. The fitted theoretical predictions of the dependence of the dipolar coupling on the orientation of the field with respect to the nematic director are shown to provide a good description of the experimental data.

  4. Molecular distances from dipolar coupled spin-labels: the global analysis of multifrequency continuous wave electron paramagnetic resonance data.

    PubMed Central

    Hustedt, E J; Smirnov, A I; Laub, C F; Cobb, C E; Beth, A H

    1997-01-01

    For immobilized nitroxide spin-labels with a well-defined interprobe geometry, resolved dipolar splittings can be observed in continuous wave electron paramagnetic resonance (CW-EPR) spectra for interelectron distances as large as 30 A using perdeuterated probes. In this work, algorithms are developed for calculating CW-EPR spectra of immobilized, dipolar coupled nitroxides, and then used to define the limits of sensitivity to the interelectron distance as a function of geometry and microwave frequency. Secondly, the CW-EPR spectra of N epsilon-spin-labeled coenzyme NAD+ bound to microcrystalline, tetrameric glyceraldehyde-3-phosphate dehydrogenase (GAPDH) have been collected at 9.8, 34, and 94 GHz. These data have been analyzed, using a combination of simulated annealing and global analysis, to obtain a unique fit to the data. The values of the intermitroxide distance and the five angles defining the relative orientation of the two nitroxides are in reasonable agreement with a molecular model built from the known crystal structure. Finally, the effect of rigid body isotropic rotational diffusion on the CW-EPR spectra of dipolar coupled nitroxides has been investigated using an algorithm based on Brownian dynamics trajectories. These calculations demonstrate the sensitivity of CW-EPR spectra to dipolar coupling in the presence of rigid body rotational diffusion. PMID:9083690

  5. Ordering and thermal excitations in dipolar coupled single domain magnet arrays (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    Östman, Erik; Arnalds, Unnar; Kapaklis, Vassilios; Hjörvarsson, Björgvin

    2015-09-01

    For a small island of a magnetic material the magnetic state of the island is mainly determined by the exchange interaction and the shape anisotropy. Two or more islands placed in close proximity will interact through dipolar interactions. The state of a large system will thus be dictated by interactions at both these length scales. Enabling internal thermal fluctuations, e.g. by the choice of material, of the individual islands allows for the study of thermal ordering in extended nano-patterned magnetic arrays [1,2]. As a result nano-magnetic arrays represent an ideal playground for the study of physical model systems. Here we present three different studies all having used magneto-optical imaging techniques to observe, in real space, the order of the systems. The first study is done on a square lattice of circular islands. The remanent magnetic state of each island is a magnetic vortex structure and we can study the temperature dependence of the vortex nucleation and annihilation fields [3]. The second are long chains of dipolar coupled elongated islands where the magnetization direction in each island only can point in one of two possible directions. This creates a system which in many ways mimics the Ising model [4] and we can relate the correlation length to the temperature. The third one is a spin ice system where elongated islands are placed in a square lattice. Thermal excitations in such systems resemble magnetic monopoles [2] and we can investigate their properties as a function of temperature and lattice parameters. [1] V. Kapaklis et al., New J. Phys. 14, 035009 (2012) [2] V. Kapaklis et al., Nature Nanotech 9, 514(2014) [3] E. Östman et al.,New J. Phys. 16, 053002 (2014) [4] E. Östman et al.,Thermal ordering in mesoscopic Ising chains, In manuscript.

  6. Two-dimensional solitons in dipolar Bose-Einstein condensates with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Jiang, Xunda; Fan, Zhiwei; Chen, Zhaopin; Pang, Wei; Li, Yongyao; Malomed, Boris A.

    2016-02-01

    We report families of two-dimensional (2D) composite solitons in spinor dipolar Bose-Einstein condensates, with two localized components linearly mixed by the spin-orbit coupling (SOC), and the intrinsic nonlinearity represented by the dipole-dipole interaction (DDI) between atomic magnetic moments polarized in plane by an external magnetic field. Recently, stable solitons were predicted in the form of semivortices (composites built of coupled fundamental and vortical components) in the 2D system combining the SOC and contact attractive interactions. Replacing the latter by the anisotropic long-range DDI, we demonstrate that, for a fixed norm of the soliton, the system supports a continuous family of stable spatially asymmetric vortex solitons (AVSs), parameterized by an offset of the pivot of the vortical component relative to its fundamental counterpart. The offset is limited by a certain maximum value, while the energy of the AVS practically does not depend on the offset. At small values of the norm, the vortex solitons are subject to a weak oscillatory instability. In the present system, with the Galilean invariance broken by the SOC, the composite solitons are set in motion by a kick the strength of which exceeds a certain depinning value. The kicked solitons feature a negative effective mass, drifting along a spiral trajectory opposite to the direction of the kick. A critical angular velocity, up to which the semivortices may follow rotation of the polarizing magnetic field, is found too.

  7. 15N-labeled tRNA. Identification of 4-thiouridine in Escherichia coli tRNASer1 and tRNATyr2 by 1H-15N two-dimensional NMR spectroscopy.

    PubMed

    Griffey, R H; Davis, D R; Yamaizumi, Z; Nishimura, S; Hawkins, B L; Poulter, C D

    1986-09-15

    Uridine is uniquely conserved at position 8 in elongator tRNAs and binds to A14 to form a reversed Hoogsteen base pair which folds the dihydrouridine loop back into the core of the L-shaped molecule. On the basis of 1H NMR studies, Hurd and co-workers (Hurd, R. E., Robillard, G. T., and Reid, B. R. (1977) Biochemistry 16, 2095-2100) concluded that the interaction between positions 8 and 14 is absent in Escherichia coli tRNAs with only 3 base pairs in the dihydrouridine stem. We have taken advantage of the unique 15N chemical shift of N3 in thiouridine to identify 1H and 15N resonances for the imino units of S4U8 and s4U9 in E. coli tRNASer1 and tRNATyr2. Model studies with chloroform-soluble derivatives of uridine and 4-thiouridine show that the chemical shifts of the protons in the imino moieties move downfield from 7.9 to 14.4 ppm and from 9.1 to 15.7 ppm, respectively; whereas, the corresponding 15N chemical shifts move downfield from 157.5 to 162.5 ppm and from 175.5 to 180.1 ppm upon hydrogen bonding to 5'-O-acetyl-2',3'-isopropylidene adenosine. The large difference in 15N chemical shifts for U and s4U allows one to unambiguously identify s4U imino resonances by 15N NMR spectroscopy. E. coli tRNASer1 and tRNATyr2 were selectively enriched with 15N at N3 of all uridines and modified uridines. Two-dimensional 1H-15N chemical shift correlation NMR spectroscopy revealed that both tRNAs have resonances with 1H and 15N chemical shifts characteristic of s4UA pairs. The 1H shift is approximately 1 ppm upfield from the typical s4U8 resonance at 14.8 ppm, presumably as a result of local diamagnetic anisotropies. An additional s4U resonance with 1H and 15N shifts typical of interaction of a bound water or a sugar hydroxyl group with s4U9 was discovered in the spectrum of tRNATyr2. Our NMR results for tRNAs with 3-base pair dihydrouridine stems suggest that these molecules have an U8A14 tertiary interaction similar to that found in tRNAs with 4-base pair dihydrouridine

  8. Magnetic dipolar coupling and collective effects for binary information codification in cost-effective logic devices

    NASA Astrophysics Data System (ADS)

    Chiolerio, Alessandro; Allia, Paolo; Graziano, Mariagrazia

    2012-09-01

    Physical limitations foreshadow the eventual end to traditional Complementary Metal Oxide Semiconductor (CMOS) scaling. Therefore, interest has turned to various materials and technologies aimed to succeed to traditional CMOS. Magnetic Quantum dot Cellular Automata (MQCA) are one of these technologies. Working MQCA arrays require very complex techniques and an excellent control on the geometry of the nanomagnets and on the quality of the magnetic thin film, thus limiting the possibility for MQCA of representing a definite solution to cost-effective, high density and low power consumption device demand. Counter-intuitively, moving towards bigger sizes and lighter technologies it is still possible to develop multi-state logic devices, as we demonstrated, whose main advantage is cost-effectiveness. Applications may be seen in low cost logic devices where integration and computational power are not the main issue, eventually using flexible substrates and taking advantage of the intrinsic mechanical toughness of systems where long range interactions do not need wirings. We realized cobalt micrometric MQCA arrays by means of Electron Beam Lithography, exploiting cost-effective processes such as lift-off and RF sputtering that usually are avoided due to their low control on array geometry and film roughness. Information relative to the magnetic configuration of MQCA elements including their eventual magnetic interactions was obtained from Magnetic Force Microscope (MFM) images, enhanced by means of a numerical procedure and presented in differential maps. We report the existence of bi-stable magnetic patterns, as detected by MFM while sampling the z-component of magnetic induction field, arising from dipolar inter-element magnetostatic coupling, able to store and propagate binary information. This is achieved despite the array quality and element magnetic state, which are low and multi-domain, respectively. We discuss in detail shape, inter-element spacing and dot profile

  9. Heteronuclear dipolar couplings, total spin coherence, and bilinear rotations in NMR spectroscopy

    SciTech Connect

    Garbow, J.R.

    1983-07-01

    In Chapter 1 a variety of different introductory topics are presented. The potential complexity of the nuclear magnetic resonsnace (NMR) spectra of molecules dissolved in liquid crystal solvents serves to motivate the development of multiple quantum (MQ) spectroscopy. The basics of MQ NMR are reviewed in Chapter 2. An experimental search procedure for the optimization of MQ pulse sequences is introduced. Chapter 3 discusses the application of MQ NMR techniques to the measurement of dipolar couplings in heteronuclear spin systems. The advantages of MQ methods in such systems are developed and experimental results for partially oriented (1-/sup 13/C) benzene are presented. Several pulse sequences are introduced which employ a two-step excitation of heteronuclear MQ coherence. A new multiple pulse method, involving the simultaneous irradiation of both rare and abundant spin species, is described. The problem of the broadening of MQ transitions due to magnetic field inhomogeneity is considered in Chapter 4. The method of total spin coherence transfer echo spectroscopy (TSCTES) is presented, with experimets on partially oriented acetaldehyde serving to demonstrate this new technique. TSCTES results in MQ spectra which are sensitive to all chemical shifts and spin-spin couplings and which are free of inhomogeneous broadening. In Chapter 5 the spectroscopy of spin systems of several protons and a /sup 13/C nucleus in the isotropic phase is discussed. The usefulness of the heteronuclear bilinear rotation as a calculational tool is illustrated. Compensated bilinear ..pi.. rotations, which are relatively insensitive to timing parameter missets, are presented. A new technique for homonuclear proton decoupling, Bilinear Rotation Decoupling, is described and its success in weakly coupled systems is demonstrated.

  10. Backbone Solution Structures of Proteins Using Residual Dipolar Couplings: Application to a Novel Structural Genomics Target

    PubMed Central

    Valafar, H.; Mayer, K. L.; Bougault, C. M.; LeBlond, P. D.; Jenney, F. E.; Brereton, P. S.; Adams, M.W.W.; Prestegard, J.H.

    2006-01-01

    Structural genomics (or proteomics) activities are critically dependent on the availability of high-throughput structure determination methodology. Development of such methodology has been a particular challenge for NMR based structure determination because of the demands for isotopic labeling of proteins and the requirements for very long data acquisition times. We present here a methodology that gains efficiency from a focus on determination of backbone structures of proteins as opposed to full structures with all side chains in place. This focus is appropriate given the presumption that many protein structures in the future will be built using computational methods that start from representative fold family structures and replace as many as 70% of the side chains in the course of structure determination. The methodology we present is based primarily on residual dipolar couplings (RDCs), readily accessible NMR observables that constrain the orientation of backbone fragments irrespective of separation in space. A new software tool is described for the assembly of backbone fragments under RDC constraints and an application to a structural genomics target is presented. The target is an 8.7 kDa protein from Pyrococcus furiosus, PF1061, that was previously not well annotated, and had a nearest structurally characterized neighbor with only 33% sequence identity. The structure produced shows structural similarity to this sequence homologue, but also shows similarity to other proteins that suggests a functional role in sulfur transfer. Given the backbone structure and a possible functional link this should be an ideal target for development of modeling methods. PMID:15704012

  11. Improvement and Analysis of Computational Methods for Prediction of Residual Dipolar Couplings

    PubMed Central

    Berlin, Konstantin; O’Leary, Dianne P.; Fushman, David

    2009-01-01

    We describe a new, computationally effcient method for computing the molecular alignment tensor based on the molecular shape. The increase in speed is achieved by re-expressing the problem as one of numerical integration, rather than a simple uniform sampling (as in the PALES method), and by using a convex hull rather than a detailed representation of the surface of a molecule. This method is applicable to bicelles, PEG/hexanol, and other alignment media that can be modeled by steric restrictions introduced by a planar barrier. This method is used to further explore and compare various representations of protein shape by an equivalent ellipsoid. We also examine the accuracy of the alignment tensor and residual dipolar couplings (RDC) prediction using various ab initio methods. We separately quantify the inaccuracy in RDC prediction caused by the inaccuracy in the orientation and in the magnitude of the alignment tensor, concluding that orientation accuracy is much more important in accurate prediction of RDCs. PMID:19700353

  12. Dynamics of a coupled spin-vortex pair in dipolar spinor Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Li, Tiantian; Yi, Su; Zhang, Yunbo

    2016-05-01

    The collisional and magnetic field quench dynamics of a coupled spin-vortex pair in dipolar spinor Bose-Einstein condensates in a double-well potential are numerically investigated in the mean-field theory. Upon a sudden release of the potential barrier the two layers of condensates collide with each other in the trap center with the chirality of the vortex pair exchanged after each collision, showing the typical signature of in-phase collision for the parallel spin-vortex phase, and out-of-phase collision for the antiparallel phase. When quenching the transverse magnetic field, the vortex center in the single-layered condensate starts to make a helical motion with oval-shaped trajectories and the displacement of the center position is found to exhibit a damped simple harmonic oscillation with an intrinsic frequency and damping rate. The oscillation mode of the spin-vortex pair may be tuned by the initial magnetic field and the height of the Gaussian barrier; e.g., the gyrotropic motions for a parallel spin-vortex pair are out of sync with each other in the two layers, while those for the antiparallel pair exhibit a double-helix structure with the vortex centers moving opposite to each other with the same amplitude.

  13. Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.

    PubMed

    Jain, Nitin U; Tjioe, Elina; Savidor, Alon; Boulie, James

    2005-06-28

    Structural differences in the [2Fe-2S] ferredoxin, putidaredoxin (Pdx), from the camphor hydroxylation pathway of Pseudomonas putida have been investigated as a function of oxidation state of the iron cluster. Pdx is involved in biological electron transfer to cytochrome P450(cam) (CYP101). Redox-dependent differences have been observed previously for Pdx in terms of binding affinities to CYP101, NMR spectral differences, and dynamic properties. To further characterize these differences, structure refinement of both oxidized and reduced Pdx has been carried out using a hybrid approach utilizing paramagnetic distance restraints and NMR orientational restraints in the form of backbone (15)N residual dipolar couplings. Use of these new restraints has improved the structure of oxidized Pdx considerably over the earlier solution NMR structure without RDC restraints, with the new structure now much closer in overall fold to the recently published X-ray crystal structures. We now observe better defined relative orientations of the major secondary structure elements as also of the conformation of the metal binding loop region. Extension of this approach to structure calculation of reduced Pdx has identified structural differences that are primarily localized for residues in the C-terminal interaction domain consisting of the functionally important residue Trp 106 and regions near the metal binding loop in Pdx. These redox-dependent structural differences in Pdx correlate to dynamic changes observed before and may be linked to differences in binding and electron transfer properties between oxidized and reduced Pdx. PMID:15966730

  14. Measuring membrane protein bond orientations in nanodiscs via residual dipolar couplings

    PubMed Central

    Bibow, Stefan; Carneiro, Marta G; Sabo, T Michael; Schwiegk, Claudia; Becker, Stefan; Riek, Roland; Lee, Donghan

    2014-01-01

    Membrane proteins are involved in numerous vital biological processes. To understand membrane protein functionality, accurate structural information is required. Usually, structure determination and dynamics of membrane proteins are studied in micelles using either solution state NMR or X-ray crystallography. Even though invaluable information has been obtained by this approach, micelles are known to be far from ideal mimics of biological membranes often causing the loss or decrease of membrane protein activity. Recently, nanodiscs, which are composed of a lipid bilayer surrounded by apolipoproteins, have been introduced as a more physiological alternative than micelles for NMR investigations on membrane proteins. Here, we show that membrane protein bond orientations in nanodiscs can be obtained by measuring residual dipolar couplings (RDCs) with the outer membrane protein OmpX embedded in nanodiscs using Pf1 phage as an alignment medium. The presented collection of membrane protein RDCs in nanodiscs represents an important step toward more comprehensive structural and dynamical NMR-based investigations of membrane proteins in a natural bilayer environment. PMID:24752984

  15. A refined model for the structure of acireductone dioxygenase from Klebsiella ATCC 8724 incorporating residual dipolar couplings

    PubMed Central

    Pochapsky, Thomas C.; Pochapsky, Susan S.; Ju, Tingting; Hoefler, Chris; Liang, Jue

    2006-01-01

    Summary Acireductone dioxygenase (ARD) from Klebsiella ATCC 8724 is a metalloenzyme that is capable of catalyzing different reactions with the same substrates (acireductone and O2) depending upon the metal bound in the active site. A model for the solution structure of the paramagnetic Ni2+-containing ARD has been refined using residual dipolar couplings (RDCs) measured in two media. Additional dihedral restraints based on chemical shift (TALOS) were included in the refinement, and backbone structure in the vicinity of the active site was modeled from a crystallographic structure of the mouse homolog of ARD. The incorporation of residual dipolar couplings into the structural refinement alters the relative orientations of several structural features significantly, and improves local secondary structure determination. Comparisons between the solution structures obtained with and without RDCs are made, and structural similarities and differences between mouse and bacterial enzymes are described. Finally, the biological significance of these differences is considered. PMID:16518698

  16. Differentiation of enantiomers by 2D NMR spectroscopy at 1 T using residual dipolar couplings.

    PubMed

    Koos, Martin R M; Danieli, Ernesto; Casanova, Federico; Blümich, Bernhard; Luy, Burkhard

    2016-06-01

    Differentiating enantiomers using 2D bench-top NMR spectroscopy. Spectrometers working with permanent magnets at 1 T field strength allow the acquisition of 2D data sets. In conjunction with previously reported chiral alignment media, this setup allows the measurement of enantiomeric excess via residual dipolar couplings in stretched gelatine as a result of the reduced line width obtained by 2D J-resolved spectroscopy. PMID:25773020

  17. The Use of Residual Dipolar Coupling in Studying Proteins by NMR

    PubMed Central

    Chen, Kang

    2014-01-01

    The development of residual dipolar coupling (RDC) in protein NMR spectroscopy, over a decade ago, has become a useful and almost routine tool for accurate protein solution structure determination. RDCs provide orientation information of magnetic dipole–dipole interaction vectors within a common reference frame. Its measurement requires a nonisotropic orientation, through a direct or indirect magnetic field alignment, of the protein in solution. There has been recent progress in the developments of alignment methods to allow the measurement of RDC and of methods to analyze the resulting data. In this chapter we briefly go through the mathematical expressions for the RDC and common descriptions of the alignment tensor, which may be represented using either Saupe order or the principal order matrix. Then we review the latest developments in alignment media. In particular we looked at the lipid-compatible media that allow the measurement of RDCs for membrane proteins. Other methods including conservative surface residue mutation have been invented to obtain up to five orthogonal alignment tensors that provide a potential for de novo structure and dynamics study using RDCs exclusively. We then discuss approximations assumed in RDC interpretations and different views on dynamics uncovered from the RDC method. In addition to routine usage of RDCs in refining a single structure, novel applications such as ensemble refinement against RDCs have been implemented to represent protein structure and dynamics in solution. The RDC application also extends to the study of protein–substrate interaction as well as to solving quaternary structure of oligomer in equilibrium with a monomer, opening an avenue for RDCs in high-order protein structure determination. PMID:21952837

  18. Measurement and assignment of long-range C-H dipolar couplings in liquid crystals by two-dimensional NMR spectroscopy

    SciTech Connect

    Hong, M.; Pines, A. |; Caldarelli, S.

    1996-08-29

    We describe multidimensional NMR techniques to measure and assign {sup 13}C-{sup 1}H dipolar couplings in nematic liquid crystals with high resolution. In particular, dipolar couplings between aromatic and aliphatic sites are extracted, providing valuable information on the structural correlations between these two components of thermotropic liquid crystal molecules. The NMR techniques are demonstrated on 4-pentyl-4`-biphenylcarbonitrile (5CB), a well-characterized room-temperature nematic liquid crystal. Proton-detected local-field NMR spectroscopy is employed to obtain highly resolved C-H dipolar couplings that are separated according to the chemical shifts of the carbon sites. Each {sup 13}C cross section in the 2D spectra exhibits several doublet splittings, with the largest one resulting from the directly bonded C-H coupling. The smaller splittings originate from the long-range C-H dipolar couplings and can be assigned qualitatively by a chemical shift heteronuclear correlation (HETCOR) experiment. The HETCOR experiment incorporates a mixing period for proton spin diffusion to occur, so that maximal polarization transfer can be achieved between the unbonded {sup 13}C and {sup 1}H nuclei. To assign the long-range C-H couplings quantitatively. we combined these two techniques into a novel reduced-3D experiment, in which the {sup 1}H chemical shift-displaced C-H dipolar couplings are correlated with the {sup 13}C chemical shifts. 34 refs., 6 figs., 2 tabs.

  19. Accurate measurement of heteronuclear dipolar couplings by phase-alternating R-symmetry (PARS) sequences in magic angle spinning NMR spectroscopy

    SciTech Connect

    Hou, Guangjin E-mail: tpolenov@udel.edu; Lu, Xingyu E-mail: lexvega@comcast.net; Vega, Alexander J. E-mail: lexvega@comcast.net; Polenova, Tatyana E-mail: tpolenov@udel.edu

    2014-09-14

    We report a Phase-Alternating R-Symmetry (PARS) dipolar recoupling scheme for accurate measurement of heteronuclear {sup 1}H-X (X = {sup 13}C, {sup 15}N, {sup 31}P, etc.) dipolar couplings in MAS NMR experiments. It is an improvement of conventional C- and R-symmetry type DIPSHIFT experiments where, in addition to the dipolar interaction, the {sup 1}H CSA interaction persists and thereby introduces considerable errors in the dipolar measurements. In PARS, phase-shifted RN symmetry pulse blocks applied on the {sup 1}H spins combined with π pulses applied on the X spins at the end of each RN block efficiently suppress the effect from {sup 1}H chemical shift anisotropy, while keeping the {sup 1}H-X dipolar couplings intact. Another advantage over conventional DIPSHIFT experiments, which require the signal to be detected in the form of a reduced-intensity Hahn echo, is that the series of π pulses refocuses the X chemical shift and avoids the necessity of echo formation. PARS permits determination of accurate dipolar couplings in a single experiment; it is suitable for a wide range of MAS conditions including both slow and fast MAS frequencies; and it assures dipolar truncation from the remote protons. The performance of PARS is tested on two model systems, [{sup 15}N]-N-acetyl-valine and [U-{sup 13}C,{sup 15}N]-N-formyl-Met-Leu-Phe tripeptide. The application of PARS for site-resolved measurement of accurate {sup 1}H-{sup 15}N dipolar couplings in the context of 3D experiments is presented on U-{sup 13}C,{sup 15}N-enriched dynein light chain protein LC8.

  20. Two dimensional dipolar coupling in monolayers of silver and gold nanoparticles on a dielectric substrate

    NASA Astrophysics Data System (ADS)

    Liu, Yu; Begin-Colin, Sylvie; Pichon, Benoît P.; Leuvrey, Cedric; Ihiawakrim, Dris; Rastei, Mircea; Schmerber, Guy; Vomir, Mircea; Bigot, Jean Yves

    2014-09-01

    The dimensionality of assembled nanoparticles plays an important role in their optical and magnetic properties, via dipolar effects and the interaction with their environment. In this work we develop a methodology for distinguishing between two (2D) and three (3D) dimensional collective interactions on the surface plasmon resonance of assembled metal nanoparticles. Towards that goal, we elaborate different sets of Au and Ag nanoparticles as suspensions, random 3D arrangements and well organized 2D arrays. Then we model their scattering cross-section using effective field methods in dimension n, including interparticle as well as particle-substrate dipolar interactions. For this modelling, two effective field medium approaches are employed, taking into account the filling factors of the assemblies. Our results are important for realizing photonic amplifier devices.The dimensionality of assembled nanoparticles plays an important role in their optical and magnetic properties, via dipolar effects and the interaction with their environment. In this work we develop a methodology for distinguishing between two (2D) and three (3D) dimensional collective interactions on the surface plasmon resonance of assembled metal nanoparticles. Towards that goal, we elaborate different sets of Au and Ag nanoparticles as suspensions, random 3D arrangements and well organized 2D arrays. Then we model their scattering cross-section using effective field methods in dimension n, including interparticle as well as particle-substrate dipolar interactions. For this modelling, two effective field medium approaches are employed, taking into account the filling factors of the assemblies. Our results are important for realizing photonic amplifier devices. Electronic supplementary information (ESI) available: Section 1: synthesis and characterization of silver and gold nanoparticles and Section 2: modeling of the 2D and 3D nanoparticles' optical response. See DOI: 10.1039/c4nr03292f

  1. De Novo Determination of Internuclear Vector Orientations from Residual Dipolar Couplings Measured in Three Independent Alignment Media

    PubMed Central

    Ruan, Ke; Briggman, Kathryn B.; Tolman, Joel R.

    2010-01-01

    The straightforward interpretation of solution state residual dipolar couplings (RDCs) in terms of internuclear vector orientations generally requires prior knowledge of the alignment tensor, which in turn is normally estimated using a structural model. We have developed a protocol which allows the requirement for prior structural knowledge to be dispensed with as long as RDC measurements can be made in three independent alignment media. This approach, called Rigid Structure from Dipolar Couplings (RSDC), allows vector orientations and alignment tensors to be determined de novo from just three independent sets of RDCs. It is shown that complications arising from the existence of multiple solutions can be overcome by careful consideration of alignment tensor magnitudes in addition to the agreement between measured and calculated RDCs. Extensive simulations as well applications to the proteins ubiquitin and Staphylococcal protein GB1 demonstrate that this method can provide robust determinations of alignment tensors and amide N-H bond orientations often with better than 10° accuracy, even in the presence of modest levels of internal dynamics. PMID:18478335

  2. The use of dipolar couplings for determining the solution structure of rat apo-S100B(betabeta).

    PubMed Central

    Drohat, A. C.; Tjandra, N.; Baldisseri, D. M.; Weber, D. J.

    1999-01-01

    The relative orientations of adjacent structural elements without many well-defined NOE contacts between them are typically poorly defined in NMR structures. For apo-S100B(betabeta) and the structurally homologous protein calcyclin, the solution structures determined by conventional NMR exhibited considerable differences and made it impossible to draw unambiguous conclusions regarding the Ca2+-induced conformational change required for target protein binding. The structure of rat apo-S100B(betabeta) was recalculated using a large number of constraints derived from dipolar couplings that were measured in a dilute liquid crystalline phase. The dipolar couplings orient bond vectors relative to a single-axis system, and thereby remove much of the uncertainty in NOE-based structures. The structure of apo-S100B(betabeta) indicates a minimal change in the first, pseudo-EF-hand Ca2+ binding site, but a large reorientation of helix 3 in the second, classical EF-hand upon Ca2+ binding. PMID:10211826

  3. Double ferromagnetic resonance and configuration-dependent dipolar coupling in unsaturated arrays of bistable magnetic nanowires

    NASA Astrophysics Data System (ADS)

    de La Torre Medina, J.; Piraux, L.; Olais Govea, J. M.; Encinas, A.

    2010-04-01

    The ferromagnetic resonance properties in arrays of low diameter bistable nanowires have been studied. Measurements performed in the frequency swept mode show that in nonsaturated states, wires magnetized in the positive and negative direction absorb at different frequencies giving place to spectra with two absorption peaks. Moreover, the positive and negative wires obey different dispersion relations, which allow interpreting their different frequency-field dependence in terms of the uniform precession mode. Measurements along sets of first-order reversal curves allow to determine the dipolar interaction field as a function of the magnetic state. The configuration dependence of the interaction field is found to be proportional to the value of the dipolar interaction field of the saturated state. An analytical mean-field expression, which explicitly incorporates the dependence of the interaction field with the magnetic configuration, is proposed and used to obtain a general expression for both the effective field and the dispersion relation, which describes with remarkable agreement the ferromagnetic resonance measurements in saturated and nonsaturated states.

  4. Controllable emission of a dipolar source coupled with a magneto-dielectric resonant subwavelength scatterer

    PubMed Central

    Rolly, Brice; Geffrin, Jean-Michel; Abdeddaim, Redha; Stout, Brian; Bonod, Nicolas

    2013-01-01

    We demonstrate experimentally and theoretically that a local excitation of a single scatterer of relative dielectric permittivity ε = 6 permits to excite broad dipolar and quadrupolar electric and magnetic resonances that shape the emission pattern in an unprecedented way. By suitably positioning the feed with respect to the sphere at a λ/3 distance, this compact antenna is able to spectrally sort the electromagnetic emission either in the forward or in the backward direction, together with a high gain in directivity. Materials with ε = 6 can be found in the whole spectrum of frequencies promising Mie antennas to become an enabling technology in numbers of applications, ranging from quantum single photon sources to telecommunications. PMID:24165924

  5. An Alignment Medium for Measuring Residual Dipolar Couplings in Pure DMSO: Liquid Crystals from Graphene Oxide Grafted with Polymer Brushes.

    PubMed

    Zong, Wen; Li, Gao-Wei; Cao, Jiang-Ming; Lei, Xinxiang; Hu, Mao-Lin; Sun, Han; Griesinger, Christian; Tan, Ren Xiang

    2016-03-01

    Residual dipolar couplings (RDCs) have attracted attention in light of their great impact on the structural elucidation of organic molecules. However, the effectiveness of RDC measurements is limited by the shortage of alignment media compatible with widely used organic solvents, such as DMSO. Herein, we present the first liquid crystal (LC) based alignment medium that is compatible with pure DMSO, thus enabling RDC measurements of polar and intermediate polarity molecules. The liquid crystals were obtained by grafting polymer brushes onto graphene oxide (GO) using free radical polymerization. The resulting new medium offers several advantages, such as absence of background signals, narrow line shapes, and tunable alignment. Importantly, this medium is compatible with π-conjugated molecules. Moreover, sonication-induced fragmentation can reduce the size of GO sheets. The resulting anisotropic medium has moderate alignment strength, which is a prerequisite for an accurate RDC measurement. PMID:26890579

  6. Charged gels as orienting media for measurement of residual dipolar couplings in soluble and integral membrane proteins.

    PubMed

    Cierpicki, Tomasz; Bushweller, John H

    2004-12-15

    Measurement of residual dipolar couplings for membrane proteins will dramatically improve the quality of the structures obtainable by solution NMR spectroscopy. While there has been some success in achieving alignment of membrane-bound peptides, there has been very limited success in achieving alignment for functional membrane proteins. Herein, we demonstrate that charged polyacrylamide-based copolymers are suitable for obtaining weak alignment of membrane proteins reconstituted in detergent micelles. Varying the copolymer compositions, we prepared positively, zwitterionic, and negatively charged gels that are very stable at low concentration and can be used for obtaining weak alignment by compression in an NMR tube. Application of this method is demonstrated for the integral membrane protein OmpA in DPC micelles. PMID:15584763

  7. Using Pseudocontact Shifts and Residual Dipolar Couplings as Exact NMR Restraints for the Determination of Protein Structural Ensembles.

    PubMed

    Camilloni, Carlo; Vendruscolo, Michele

    2015-12-29

    Nuclear magnetic resonance (NMR) spectroscopy provides detailed information about the structure and dynamics of proteins by exploiting the conformational dependence of the magnetic properties of certain atomic nuclei. The mapping between NMR measurements and molecular structures, however, often requires approximated descriptions based on the fitting of a number of parameters, thus reducing the quality of the information available from the experiments. To improve on this limitation, we show here that it is possible to use pseudocontact shifts and residual dipolar couplings as "exact" NMR restraints. We implement this strategy by using a replica-averaging method and illustrate its application by calculating an ensemble of structures representing the dynamics of the two-domain protein calmodulin. PMID:26624789

  8. A graphical method for analyzing distance restraints using residual dipolar couplings for structure determination of symmetric protein homo-oligomers.

    PubMed

    Martin, Jeffrey W; Yan, Anthony K; Bailey-Kellogg, Chris; Zhou, Pei; Donald, Bruce R

    2011-06-01

    High-resolution structure determination of homo-oligomeric protein complexes remains a daunting task for NMR spectroscopists. Although isotope-filtered experiments allow separation of intermolecular NOEs from intramolecular NOEs and determination of the structure of each subunit within the oligomeric state, degenerate chemical shifts of equivalent nuclei from different subunits make it difficult to assign intermolecular NOEs to nuclei from specific pairs of subunits with certainty, hindering structural analysis of the oligomeric state. Here, we introduce a graphical method, DISCO, for the analysis of intermolecular distance restraints and structure determination of symmetric homo-oligomers using residual dipolar couplings. Based on knowledge that the symmetry axis of an oligomeric complex must be parallel to an eigenvector of the alignment tensor of residual dipolar couplings, we can represent distance restraints as annuli in a plane encoding the parameters of the symmetry axis. Oligomeric protein structures with the best restraint satisfaction correspond to regions of this plane with the greatest number of overlapping annuli. This graphical analysis yields a technique to characterize the complete set of oligomeric structures satisfying the distance restraints and to quantitatively evaluate the contribution of each distance restraint. We demonstrate our method for the trimeric E. coli diacylglycerol kinase, addressing the challenges in obtaining subunit assignments for distance restraints. We also demonstrate our method on a dimeric mutant of the immunoglobulin-binding domain B1 of streptococcal protein G to show the resilience of our method to ambiguous atom assignments. In both studies, DISCO computed oligomer structures with high accuracy despite using ambiguously assigned distance restraints. PMID:21413097

  9. Coupling of a dipolar emitter into one-dimensional surface plasmon

    PubMed Central

    Barthes, Julien; Bouhelier, Alexandre; Dereux, Alain; Francs, Gérard Colas des

    2013-01-01

    Quantum plasmonics relies on a new paradigm for light–matter interaction. It benefits from strong confinement of surface plasmon polaritons (SPP) that ensures efficient coupling at a deep subwavelength scale, instead of working with a long lifetime cavity polariton that increases the duration of interaction. The large bandwidth and the strong confinement of one dimensional SPP enable controlled manipulation of a nearby quantum emitter. This paves the way to ultrafast nanooptical devices. However, the large SPP bandwidth originates from strong losses so that a clear understanding of the coupling process is needed. In this report, we investigate in details the coupling between a single emitter and a plasmonic nanowire, but also SPP mediated coupling between two emitters. We notably clarify the role of losses in the Purcell factor, unavoidable to achieve nanoscale confinement down to 10−4(λ/n)3. Both the retarded and band-edge quasi-static regimes are discussed. PMID:24061164

  10. Characterizing the relative orientation and dynamics of RNA A-form helices using NMR residual dipolar couplings

    PubMed Central

    Bailor, Maximillian H; Musselman, Catherine; Hansen, Alexandar L; Gulati, Kush; Patel, Dinshaw J; Al-Hashimi, Hashim M

    2015-01-01

    We present a protocol for determining the relative orientation and dynamics of A-form helices in 13C/15N isotopically enriched RNA samples using NMR residual dipolar couplings (RDCs). Non-terminal Watson–Crick base pairs in helical stems are experimentally identified using NOE and trans-hydrogen bond connectivity and modeled using the idealized A-form helix geometry. RDCs measured in the partially aligned RNA are used to compute order tensors describing average alignment of each helix relative to the applied magnetic field. The order tensors are translated into Euler angles defining the average relative orientation of helices and order parameters describing the amplitude and asymmetry of interhelix motions. The protocol does not require complete resonance assignments and therefore can be implemented rapidly to RNAs much larger than those for which complete high-resolution NMR structure determination is feasible. The protocol is particularly valuable for exploring adaptive changes in RNA conformation that occur in response to biologically relevant signals. Following resonance assignments, the procedure is expected to take no more than 2 weeks of acquisition and data analysis time. PMID:17571061

  11. Dipolar Coupling between Nitroxide Spin Labels: The Development and Application of a Tether-in-a-Cone Model

    PubMed Central

    Hustedt, Eric J.; Stein, Richard A.; Sethaphong, Latsavongsakda; Brandon, Suzanne; Zhou, Zheng; DeSensi, Susan C.

    2006-01-01

    A tether-in-a-cone model is developed for the simulation of electron paramagnetic resonance spectra of dipolar coupled nitroxide spin labels attached to tethers statically disordered within cones of variable halfwidth. In this model, the nitroxides adopt a range of interprobe distances and orientations. The aim is to develop tools for determining both the distance distribution and the relative orientation of the labels from experimental spectra. Simulations demonstrate the sensitivity of electron paramagnetic resonance spectra to the orientation of the cones as a function of cone halfwidth and other parameters. For small cone halfwidths (<∼40°), simulated spectra are strongly dependent on the relative orientation of the cones. For larger cone halfwidths, spectra become independent of cone orientation. Tether-in-a-cone model simulations are analyzed using a convolution approach based on Fourier transforms. Spectra obtained by the Fourier convolution method more closely fit the tether-in-a-cone simulations as the halfwidth of the cone increases. The Fourier convolution method gives a reasonable estimate of the correct average distance, though the distance distribution obtained can be significantly distorted. Finally, the tether-in-a-cone model is successfully used to analyze experimental spectra from T4 lysozyme. These results demonstrate the utility of the model and highlight directions for further development. PMID:16214868

  12. Solution NMR Experiment for Measurement of (15)N-(1)H Residual Dipolar Couplings in Large Proteins and Supramolecular Complexes.

    PubMed

    Eletsky, Alexander; Pulavarti, Surya V S R K; Beaumont, Victor; Gollnick, Paul; Szyperski, Thomas

    2015-09-01

    NMR residual dipolar couplings (RDCs) are exquisite probes of protein structure and dynamics. A new solution NMR experiment named 2D SE2 J-TROSY is presented to measure N-H RDCs for proteins and supramolecular complexes in excess of 200 kDa. This enables validation and refinement of their X-ray crystal and solution NMR structures and the characterization of structural and dynamic changes occurring upon complex formation. Accurate N-H RDCs were measured at 750 MHz (1)H resonance frequency for 11-mer 93 kDa (2)H,(15)N-labeled Trp RNA-binding attenuator protein tumbling with a correlation time τc of 120 ns. This is about twice as long as that for the most slowly tumbling system, for which N-H RDCs could be measured, so far, and corresponds to molecular weights of ∼200 kDa at 25 °C. Furthermore, due to the robustness of SE2 J-TROSY with respect to residual (1)H density from exchangeable protons, increased sensitivity at (1)H resonance frequencies around 1 GHz promises to enable N-H RDC measurement for even larger systems. PMID:26293598

  13. A tensor-free method for the structural and dynamical refinement of proteins using residual dipolar couplings.

    PubMed

    Camilloni, Carlo; Vendruscolo, Michele

    2015-01-22

    Residual dipolar couplings (RDCs) are parameters measured in nuclear magnetic resonance spectroscopy that can provide exquisitely detailed information about the structure and dynamics of biological macromolecules. We describe here a method of using RDCs for the structural and dynamical refinement of proteins that is based on the observation that the RDC between two atomic nuclei depends directly on the angle ϑ between the internuclear vector and the external magnetic field. For every pair of nuclei for which an RDC is available experimentally, we introduce a structural restraint to minimize the deviation from the value of the angle ϑ derived from the measured RDC and that calculated in the refinement protocol. As each restraint involves only the calculation of the angle ϑ of the corresponding internuclear vector, the method does not require the definition of an overall alignment tensor to describe the preferred orientation of the protein with respect to the alignment medium. Application to the case of ubiquitin demonstrates that this method enables an accurate refinement of the structure and dynamics of this protein to be obtained. PMID:24824082

  14. Sensitivity-enhanced IPAP experiments for measuring one-bond 13C '- 13C α and 13C α- 1H α residual dipolar couplings in proteins

    NASA Astrophysics Data System (ADS)

    Ding, Keyang; Gronenborn, Angela M.

    2004-04-01

    Sensitivity-enhanced 2D IPAP experiments using the accordion principle for measuring one-bond 13C '- 13C α and 1H α- 13C α dipolar couplings in proteins are presented. The resolution of the resulting spectra is identical to that of the decoupled HSQC spectra and the sensitivity of the corresponding 1D acquisitions are only slightly lower than those obtained with 3D HNCO and 3D HN(COCA)HA pulse sequences due to an additional delay 2 Δ. For cases of limited resolution in the 2D 15N- 1H N HSQC spectrum the current pulse sequences can easily be modified into 3D versions by introducing a poorly digitized third dimension, if so desired. The experiments described here are a valuable addition to the suites available for determination of residual dipolar couplings in biological systems.

  15. Evidence for a dipolar-coupled AM system in carnosine in human calf muscle from in vivo 1H NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Schröder, Leif; Bachert, Peter

    2003-10-01

    Spin systems with residual dipolar couplings such as creatine, taurine, and lactate in skeletal muscle tissue exhibit first-order spectra in in vivo 1H NMR spectroscopy at 1.5 T because the coupled protons are represented by (nearly) symmetrized eigenfunctions. The imidazole ring protons (H2, H4) of carnosine are suspected to form also a coupled system. The ring's stiffness could enable a connectivity between these anisochronous protons with the consequence of second-order spectra at low field strength. Our purpose was to study whether this deviation from the Paschen-Back condition can be used to detect the H2-H4 coupling in localized 1D 1H NMR spectra obtained at 1.5 T (64 MHz) from the human calf in a conventional whole-body scanner. As for the hydrogen hyperfine interaction, a Breit-Rabi equation was derived to describe the transition from Zeeman to Paschen-Back regime for two dipolar-coupled protons. The ratio of the measurable coupling strength ( Sk) and the difference in resonance frequencies of the coupled spins (Δ ω) induces quantum-state mixing of various degree upon definition of an appropriate eigenbase of the coupled spin system. The corresponding Clebsch-Gordan coefficients manifest in characteristic energy corrections in the Breit-Rabi formula. These additional terms were used to define an asymmetry parameter of the line positions as a function of Sk and Δ ω. The observed frequency shifts of the resonances were found to be consistent with this parameter within the accuracy achievable in in vivo NMR spectroscopy. Thus it was possible to identify the origin of satellite peaks of H2, H4 and to describe this so far not investigated type of residual dipolar coupling in vivo.

  16. Dipolar glass and strong magneto-electric coupling within a purely organic system

    NASA Astrophysics Data System (ADS)

    Berlie, Adam; Terry, Ian; Liu, Yun; Szablewski, Marek

    There is much interest in the search for novel materials that show ferroelectric as well as magneto-electric coupling, such as that observed in multiferroics. Within organic based materials the electronic polarisation can come from a charge distribution across a molecule or molecules and so one must search for systems that have a electronic (and magnetic) dipole that is intrinsic. One such material is tetraethylammonium bis-7,7,8,8-tetracyanoquinodimethane (TEA(TCNQ)2) which is a charge transfer system where there is a single electron delocalised across a TCNQ dimer. We show that dielectric measurements yield anomalies at the Peierls structural distortion and on going through the spin-Peierls transition. In both cases the electric response is glassy and at low temperature the corresponding magnetic measurements evidence the strong magneto-electric coupling within the material showing analogies to spin glass systems.

  17. (15)N CSA tensors and (15)N-(1)H dipolar couplings of protein hydrophobic core residues investigated by static solid-state NMR.

    PubMed

    Vugmeyster, Liliya; Ostrovsky, Dmitry; Fu, Riqiang

    2015-10-01

    In this work, we assess the usefulness of static (15)N NMR techniques for the determination of the (15)N chemical shift anisotropy (CSA) tensor parameters and (15)N-(1)H dipolar splittings in powder protein samples. By using five single labeled samples of the villin headpiece subdomain protein in a hydrated lyophilized powder state, we determine the backbone (15)N CSA tensors at two temperatures, 22 and -35 °C, in order to get a snapshot of the variability across the residues and as a function of temperature. All sites probed belonged to the hydrophobic core and most of them were part of α-helical regions. The values of the anisotropy (which include the effect of the dynamics) varied between 130 and 156 ppm at 22 °C, while the values of the asymmetry were in the 0.32-0.082 range. The Leu-75 and Leu-61 backbone sites exhibited high mobility based on the values of their temperature-dependent anisotropy parameters. Under the assumption that most differences stem from dynamics, we obtained the values of the motional order parameters for the (15)N backbone sites. While a simple one-dimensional line shape experiment was used for the determination of the (15)N CSA parameters, a more advanced approach based on the "magic sandwich" SAMMY pulse sequence (Nevzorov and Opella, 2003) was employed for the determination of the (15)N-(1)H dipolar patterns, which yielded estimates of the dipolar couplings. Accordingly, the motional order parameters for the dipolar interaction were obtained. It was found that the order parameters from the CSA and dipolar measurements are highly correlated, validating that the variability between the residues is governed by the differences in dynamics. The values of the parameters obtained in this work can serve as reference values for developing more advanced magic-angle spinning recoupling techniques for multiple labeled samples. PMID:26367322

  18. Wave modes of collective vortex gyration in dipolar-coupled-dot-array magnonic crystals

    PubMed Central

    Han, Dong-Soo; Vogel, Andreas; Jung, Hyunsung; Lee, Ki-Suk; Weigand, Markus; Stoll, Hermann; Schütz, Gisela; Fischer, Peter; Meier, Guido; Kim, Sang-Koog

    2013-01-01

    Lattice vibration modes are collective excitations in periodic arrays of atoms or molecules. These modes determine novel transport properties in solid crystals. Analogously, in periodical arrangements of magnetic vortex-state disks, collective vortex motions have been predicted. Here, we experimentally observe wave modes of collective vortex gyration in one-dimensional (1D) periodic arrays of magnetic disks using time-resolved scanning transmission x-ray microscopy. The observed modes are interpreted based on micromagnetic simulation and numerical calculation of coupled Thiele equations. Dispersion of the modes is found to be strongly affected by both vortex polarization and chirality ordering, as revealed by the explicit analytical form of 1D infinite arrays. A thorough understanding thereof is fundamental both for lattice vibrations and vortex dynamics, which we demonstrate for 1D magnonic crystals. Such magnetic disk arrays with vortex-state ordering, referred to as magnetic metastructure, offer potential implementation into information processing devices. PMID:23877284

  19. Wave modes of collective vortex gyration in dipolar-coupled-dot-array magnonic crystals.

    PubMed

    Han, Dong-Soo; Vogel, Andreas; Jung, Hyunsung; Lee, Ki-Suk; Weigand, Markus; Stoll, Hermann; Schütz, Gisela; Fischer, Peter; Meier, Guido; Kim, Sang-Koog

    2013-01-01

    Lattice vibration modes are collective excitations in periodic arrays of atoms or molecules. These modes determine novel transport properties in solid crystals. Analogously, in periodical arrangements of magnetic vortex-state disks, collective vortex motions have been predicted. Here, we experimentally observe wave modes of collective vortex gyration in one-dimensional (1D) periodic arrays of magnetic disks using time-resolved scanning transmission x-ray microscopy. The observed modes are interpreted based on micromagnetic simulation and numerical calculation of coupled Thiele equations. Dispersion of the modes is found to be strongly affected by both vortex polarization and chirality ordering, as revealed by the explicit analytical form of 1D infinite arrays. A thorough understanding thereof is fundamental both for lattice vibrations and vortex dynamics, which we demonstrate for 1D magnonic crystals. Such magnetic disk arrays with vortex-state ordering, referred to as magnetic metastructure, offer potential implementation into information processing devices. PMID:23877284

  20. The Magnetic Equation of State of the Random Dipolar Coupled Ising Ferromagnet LITHIUM(1)TERBIUM(P)YTTRIUM(1 - FLUORINE(4)

    NASA Astrophysics Data System (ADS)

    Brierley, Steven Kenneth

    The magnetic equation of state for the randomly diluted, dipolar coupled Ising ferromagnet LiTb(,p)Y(,1 -p)F(,4) has been measured using a sensitive SQUID magnetometer for two concentrations of the magnetic ion: p = 0.90, corresponding to a weakly diluted system; and p = 0.63, a relatively strongly diluted system. In order to determine the nature of the critical behavior in such random ferromagnets, the data have been compared to three different theoretical expressions for the equation of state. The first one is that for a pure dipolar coupled Ising ferromagnet. The remaining two expressions are for random dipolar Ising ferromagnets: a random universal form with concentration independent parameters, and a random nonasymptotic form with explicitly concentration dependent parameters. For both concentrations it has been found that the random nonasymptotic equation of state gives the best description of the critical behavior. These results are consistent with previous alternating current susceptibility measurements on the same crystals and with numerical calculations which predicted that the random universal (concentration independent) behavior would not be clearly observable in experimentally accessible temperature ranges. An analysis has also been carried out of the smearing of the phase transition near T(,c). It has been found that the rounding can be accounted for by assuming a distribution of critical temperatures. It is suggested that the origin of such a distribution of T(,c)'s is a macroscopic concentration gradient across the sample arising from changes in the melt composition during crystal growth.

  1. A HAUSDORFF-BASED NOE ASSIGNMENT ALGORITHM USING PROTEIN BACKBONE DETERMINED FROM RESIDUAL DIPOLAR COUPLINGS AND ROTAMER PATTERNS

    PubMed Central

    Zeng, Jianyang (Michael); Tripathy, Chittaranjan; Zhou, Pei; Donald, Bruce R.

    2008-01-01

    High-throughput structure determination based on solution Nuclear Magnetic Resonance (NMR) spectroscopy plays an important role in structural genomics. One of the main bottlenecks in NMR structure determination is the interpretation of NMR data to obtain a sufficient number of accurate distance restraints by assigning nuclear Overhauser effect (NOE) spectral peaks to pairs of protons. The difficulty in automated NOE assignment mainly lies in the ambiguities arising both from the resonance degeneracy of chemical shifts and from the uncertainty due to experimental errors in NOE peak positions. In this paper we present a novel NOE assignment algorithm, called HAusdorff-based NOE Assignment (HANA), that starts with a high-resolution protein backbone computed using only two residual dipolar couplings (RDCs) per residue37, 39, employs a Hausdorff-based pattern matching technique to deduce similarity between experimental and back-computed NOE spectra for each rotamer from a statistically diverse library, and drives the selection of optimal position-specific rotamers for filtering ambiguous NOE assignments. Our algorithm runs in time O(tn3 +tn log t), where t is the maximum number of rotamers per residue and n is the size of the protein. Application of our algorithm on biological NMR data for three proteins, namely, human ubiquitin, the zinc finger domain of the human DNA Y-polymerase Eta (pol η) and the human Set2-Rpb1 interacting domain (hSRI) demonstrates that our algorithm overcomes spectral noise to achieve more than 90% assignment accuracy. Additionally, the final structures calculated using our automated NOE assignments have backbone RMSD < 1.7 Å and all-heavy-atom RMSD < 2.5 Å from reference structures that were determined either by X-ray crystallography or traditional NMR approaches. These results show that our NOE assignment algorithm can be successfully applied to protein NMR spectra to obtain high-quality structures. PMID:19122773

  2. Solution structure of tRNAVal from refinement of homology model against residual dipolar coupling and SAXS data

    PubMed Central

    Grishaev, Alexander; Ying, Jinfa; Canny, Marella D.; Pardi, Arthur; Bax, Ad

    2008-01-01

    A procedure is presented for refinement of a homology model of E.Coli tRNAVal, originally based on the X-ray structure of yeast tRNAPhe, using experimental residual dipolar coupling (RDC) and small angle X-ray scattering (SAXS) data. A spherical sampling algorithm is described for refinement against SAXS data that does not require a globbic approximation, which is particularly important for nucleic acids where such approximations are less appropriate. Substantially higher speed of the algorithm also makes its application favorable for proteins. In addition to the SAXS data, the structure refinement employed a sparse set of NMR data consisting of 24 imino N-HN RDCs measured with Pf1 phage alignment, and 20 imino N-HN RDCs obtained from magnetic field dependent alignment of tRNAVal. The refinement strategy aims to largely retain the local geometry of the 58% identical tRNAPhe by ensuring that the atomic coordinates for short, overlapping segments of the ribose-phosphate backbone and the conserved base pairs remain close to those of the starting model. Local coordinate restraints are enforced using the non-crystallographic symmetry (NCS) term in the XPLOR-NIH or CNS software package, while still permitting modest movements of adjacent segments. The RDCs mainly drive the relative orientation of the helical arms, whereas the SAXS restraints ensure an overall molecular shape compatible with experimental scattering data. The resulting structure exhibits good cross-validation statistics (jack-knifed Qfree = 14% for the Pf1 RDCs, compared to 25% for the starting model) and exhibits a larger angle between the two helical arms than observed in the X-ray structure of tRNAPhe, in agreement with previous NMR-based tRNAVal models. PMID:18787959

  3. Model of a six immunoglobulin-like domain fragment of filamin A (16-21) built using residual dipolar couplings.

    PubMed

    Tossavainen, Helena; Koskela, Outi; Jiang, Pengju; Ylänne, Jari; Campbell, Iain D; Kilpeläinen, Ilkka; Permi, Perttu

    2012-04-18

    Filamins are actin-binding proteins that participate in a wide range of cell functions, including cell morphology, locomotion, membrane protein localization, and intracellular signaling. The three filamin isoforms found in humans, filamins A, B, and C, are highly homologous, and their roles are partly complementary. In addition to actin, filamins interact with dozens of other proteins that have roles as membrane receptors and channels, enzymes, signaling intermediates, and transcription factors. Filamins are composed of an N-terminal actin-binding domain and 24 filamin-type immunoglobulin-like domains (FLN) that form tail-to-tail dimers with their C-terminal FLN domain. Many of the filamin interactions including those for glycoprotein Ibα and integrins have been mapped to the region comprising FLN domains 16-21. Traditionally, FLN domains have been viewed as independent folding units, arranged in a linear chain joined with flexible linkers. Recent structural findings have shown that consecutive FLNs form more intricate superstructures. The crystal structure of filamin A domains 19-21 (FLNa19-21) revealed that domains 20 and 21 fold together and that the domain interaction can be autoregulatory. The solution structure of domains 18-19 showed a similar domain interaction, whereas domain pair 16-17 has a completely different domain packing mode. In this study, we characterize the domain organization of the FLNa domain sextet 16-21 using NMR spectroscopy. A structure model of this 60-kDa protein has been built using residual dipolar coupling restraints. RDCs and (15)N relaxation data have been used to characterize interdomain motions. PMID:22452512

  4. Enantiodiscrimination and extraction of short and long range homo- and hetero-nuclear residual dipolar couplings by a spin selective correlation experiment

    NASA Astrophysics Data System (ADS)

    Nath, Nilamoni; Suryaprakash, N.

    2010-08-01

    A two dimensional correlation experiment for the measurement of short and long range homo- and hetero- nuclear residual dipolar couplings (RDCs) from the broad and featureless proton NMR spectra including 13C satellites is proposed. The method employs a single natural abundant 13C spin as a spy nucleus to probe all the coupled protons and permits the determination of RDCs of negligible strengths. The technique has been demonstrated for the study of organic chiral molecules aligned in chiral liquid crystal, where additional challenge is to unravel the overlapped spectrum of enantiomers. The significant advantage of the method is demonstrated in better chiral discrimination using homonuclear RDCs as additional parameters.

  5. Conformational Analysis of a Dermatan Sulfate-Derived Tetrasaccharide by NMR, Molecular Modeling, and Residual Dipolar Couplings

    PubMed Central

    Silipo, Alba; Zhang, Zhenqing; Cañada, F. Javier; Molinaro, Antonio

    2014-01-01

    The solution conformation behavior of a dermatan-derived tetrasaccharide—ΔHexA-(1→3)-GalNAc4S-β-(1→4)-IdoA-α-(1→3)-red-GalNAc4S (S is a sulfate group)—has been explored by means of NMR spectroscopy, especially by NOE-based conformational analysis. The tetrasaccharide was present as four species, two of which are chemically different in the anomeric orientation of the reducing 2-deoxy-2-acetamido-galactose (red-GalNAc) residue, while the other two are the result of different conformations of the iduronic acid (IdoA) unit. The two α–-interconverting anomers were present in a 0.6:1 ratio. Ring conformations have been defined by analysis of 3JH,H coupling constants and interresidual NOE contacts. Both 2-deoxy-2-acetamido-galactose (GalNAc) residues were found in the 4C1 chair conformation, the unsaturated uronic acid (Δ-Hex A) adopts a strongly predominant half-chair 1H2 conformation, while the IdoA residue exists either in the 1C4 chair or in the 2S0 skewed boat geometries, in a 4:1 ratio. There is a moderate flexibility of Φ and Ψ torsions as suggested by nuclear Overhauser effects (NOEs), molecular modeling (MM), and molecular dynamics (MD) studies. This was further investigated by residual dipolar couplings (RDCs). One-bond C–H RDCs (1DC,H) and long-range H–H (3DH,H) RDCs were measured for the tetrasaccharide in a phage solution and interpreted in combination with restrained MD simulation. The RDC-derived data substantially confirmed the validity of the conformer distribution resulting from the NOE-derived simulations, but allowed an improved definition of the conformational behavior of the oligosaccharides in solution. In summary, the data show a moderate flexibility of the four tetrasaccharide species at the central glycosidic linkage. Differences in the shapes of species with the IdoA in skew and in chair conformations and in the distribution of the sulfate groups have also been highlighted. PMID:18072186

  6. Slow magic-angle rotation 13C NMR studies of solid phosphonium iodides. The interplay of dipolar, shielding, and indirect coupling tensors

    NASA Astrophysics Data System (ADS)

    Harris, Robin K.; Packer, Kenneth J.; Thayer, Ann M.

    High-resolution 13C NMR spectra were recorded for solid [Me 2Ph 2P] +I - and [Me 3PhP] +I - using high-power decoupling, cross-polarization, and magic-angle rotation. Spectra of the ipso carbon, obtained with the nonquaternary suppression (dipolar dephasing) pulse sequence, show an unequal distribution intensity of spinning sidebands for the two peaks split by the isotropic coupling constant 1JPC. This effect is traced to the joint influence of (P, C) dipolar coupling and 13C shielding anisotropy. The existence of scalar coupling enables magic-angle rotation to distinguish the two subspectra which are present. Analysis of the sideband patterns yields values of the NMR parameters. Under certain assumptions, including that the axis of greatest shielding is perpendicular to the PC bond, it is shown that 1JPC is positive. In contrast to traditional methods of determining signs, this conclusion does not rely on knowledge of signs of other coupling constants.

  7. Phase modulation in dipolar-coupled A 2 spin systems: effect of maximum state mixing in 1H NMR in vivo

    NASA Astrophysics Data System (ADS)

    Schröder, Leif; Schmitz, Christian; Bachert, Peter

    2004-12-01

    Coupling constants of nuclear spin systems can be determined from phase modulation of multiplet resonances. Strongly coupled systems such as citrate in prostatic tissue exhibit a more complex modulation than AX connectivities, because of substantial mixing of quantum states. An extreme limit is the coupling of n isochronous spins (A n system). It is observable only for directly connected spins like the methylene protons of creatine and phosphocreatine which experience residual dipolar coupling in intact muscle tissue in vivo. We will demonstrate that phase modulation of this "pseudo-strong" system is quite simple compared to those of AB systems. Theory predicts that the spin-echo experiment yields conditions as in the case of weak interactions, in particular, the phase modulation depends linearly on the line splitting and the echo time.

  8. Amplitudes of protein backbone dynamics and correlated motions in a small alpha/beta protein: correspondence of dipolar coupling and heteronuclear relaxation measurements.

    PubMed

    Clore, G Marius; Schwieters, Charles D

    2004-08-24

    Backbone residual dipolar coupling (N-H, Calpha-Halpha, N-C', and Calpha-C') data collected in five different media on the B3 IgG binding domain of streptococcal protein G (GB3) have been analyzed by simultaneous refinement of the coordinates and optimization of the magnitudes and orientations of the alignment tensors using single and multiple structure representations. We show, using appropriate error analysis, that agreement between observed and calculated dipolar couplings at the level of experimental uncertainty is obtained with a two-structure (N(e) = 2) ensemble representation which represents the simplest equilibrium description of anisotropic motions. The data permit one to determine the magnitude of the anisotropic motions along the four different backbone bond vectors in terms of order parameters. The order parameters, , for the N-H bond vectors are in qualitative agreement with the generalized order parameters, S(2)NH(relaxation), derived from (15)N relaxation measurements, with a correlation coefficient of 0.84. S(2)NH(relaxation) can be regarded as the product of an anisotropic order parameter, corresponding to derived from the residual dipolar couplings, and an axially symmetric order parameter, S(2)NH(axial), corresponding to bond librations which are expected to be essentially uniform along the polypeptide chain. The current data indicate that the average value of S(2)NH(axial) is approximately 0.9. The close correspondence of and S(2)NH(relaxation) indicates that any large-scale displacements from the mean coordinate positions on time scales longer than the rotational correlation time are rare and hence do not perturb the observed dipolar couplings. Analysis of a set of 100 N(e) = 2 ensembles reveals the presence of some long-range correlated motions of N-H and Calpha-Halpha vectors involving residues far apart in the sequence but close together in space. In addition, direct evidence is

  9. Side-chain chi(1) conformations in urea-denatured ubiquitin and protein G from (3)J coupling constants and residual dipolar couplings.

    PubMed

    Vajpai, Navratna; Gentner, Martin; Huang, Jie-Rong; Blackledge, Martin; Grzesiek, Stephan

    2010-03-10

    Current NMR information on side-chain conformations of unfolded protein states is sparse due to the poor dispersion particularly of side-chain proton resonances. We present here optimized schemes for the detection of (3)J(HalphaHbeta), (3)J(NHbeta), and (3)J(C'Hbeta) scalar and (1)D(CbetaHbeta) residual dipolar couplings (RDCs) in unfolded proteins. For urea-denatured ubiquitin and protein G, up to six (3)J-couplings to (1)H(beta) are detected, which define the chi(1) angle at very high precision. Interpretation of the (3)J couplings by a model of mixed staggered chi(1) rotamers yields excellent agreement and also provides stereoassignments for (1)H(beta) methylene protons. For all observed amino acids with the exception of leucine, the chemical shift of (1)H(beta3) protons was found downfield from (1)H(beta2). For most residues, the precision of individual chi(1) rotamer populations is better than 2%. The experimental chi(1) rotamer populations are in the vicinity of averages obtained from coil regions in folded protein structures. However, individual variations from these averages of up to 40% are highly significant and indicate sequence- and residue-specific interactions. Particularly strong deviations from the coil average are found for serine and threonine residues, an effect that may be explained by a weakening of side-chain to backbone hydrogen bonds in the urea-denatured state. The measured (1)D(CbetaHbeta) RDCs correlate well with predicted RDCs that were calculated from a sterically aligned coil model ensemble and the (3)J-derived chi(1) rotamer populations. This agreement supports the coil model as a good first approximation of the unfolded state. Deviations between measured and predicted values at certain sequence locations indicate that the description of the local backbone conformations can be improved by incorporation of the RDC information. The ease of detection of a large number of highly precise side-chain RDCs opens the possibility for a more

  10. Improving the accuracy of NMR structures of RNA by means of conformational database potentials of mean force as assessed by complete dipolar coupling cross-validation.

    PubMed

    Clore, G Marius; Kuszewski, John

    2003-02-12

    The description of the nonbonded contact terms used in simulated annealing refinement can have a major impact on nucleic acid structures generated from NMR data. Using complete dipolar coupling cross-validation, we demonstrate that substantial improvements in coordinate accuracy of NMR structures of RNA can be obtained by making use of two conformational database potentials of mean force: a nucleic acid torsion angle database potential consisting of various multidimensional torsion angle correlations; and an RNA specific base-base positioning potential that provides a simple geometric, statistically based, description of sequential and nonsequential base-base interactions. The former is based on 416 nucleic acid crystal structures solved at a resolution of dipolar coupling data have been measured in solution. PMID:12568611

  11. Recoupling of native homonuclear dipolar couplings in magic-angle-spinning solid-state NMR by the double-oscillating field technique

    NASA Astrophysics Data System (ADS)

    Straasø, Lasse Arnt; Nielsen, Niels Chr.

    2010-08-01

    A new solid-state NMR method, the double-oscillating field technique (DUO), that under magic-angle-spinning conditions produces an effective Hamiltonian proportional to the native high-field homonuclear dipole-dipole coupling operator is presented. The method exploits one part of the radio frequency (rf) field to recouple the dipolar coupling interaction with a relatively high scaling factor and to eliminate offset effects over a reasonable bandwidth while in the recoupling frame, the other part gives rise to a sufficiently large longitudinal component of the residual rf field that averages nonsecular terms and in addition ensures stability toward rf inhomogeneity and rf miscalibration. The capability of the DUO experiment to mediate transfer of polarization is described theoretically and compared numerically and experimentally with finite pulse rf driven recoupling and experimentally with dipolar-assisted rotational resonance. Two-dimensional recoupling experiments were performed on antiparallel amyloid fibrils of the decapeptide SNNFGAILSS with the FGAIL fragment uniformly labeled with C13 and N15.

  12. Molecular dynamics and information on possible sites of interaction of intramyocellular metabolites in vivo from resolved dipolar couplings in localized 1H NMR spectra

    NASA Astrophysics Data System (ADS)

    Schröder, Leif; Schmitz, Christian; Bachert, Peter

    2004-12-01

    Proton NMR resonances of the endogenous metabolites creatine and phosphocreatine ((P)Cr), taurine (Tau), and carnosine (Cs, β-alanyl- L-histidine) were studied with regard to residual dipolar couplings and molecular mobility. We present an analysis of the direct 1H- 1H interaction that provides information on motional reorientation of subgroups in these molecules in vivo. For this purpose, localized 1H NMR experiments were performed on m. gastrocnemius of healthy volunteers using a 1.5-T clinical whole-body MR scanner. We evaluated the observable dipolar coupling strength SD0 ( S = order parameter) of the (P)Cr-methyl triplet and the Tau-methylene doublet by means of the apparent line splitting. These were compared to the dipolar coupling strength of the (P)Cr-methylene doublet. In contrast to the aliphatic protons of (P)Cr and Tau, the aromatic H2 ( δ = 8 ppm) and H4 ( δ = 7 ppm) protons of the imidazole ring of Cs exhibit second-order spectra at 1.5 T. This effect is the consequence of incomplete transition from Zeeman to Paschen-Back regime and allows a determination of SD0 from H2 and H4 of Cs as an alternative to evaluating the multiplet splitting which can be measured directly in high-resolution 1H NMR spectra. Experimental data showed striking differences in the mobility of the metabolites when the dipolar coupling constant D0 (calculated with the internuclear distance known from molecular geometry in the case of complete absence of molecular dynamics and motion) is used for comparison. The aliphatic signals involve very small order parameters S ≈ (1.4 - 3) × 10 -4 indicating rapid reorientation of the corresponding subgroups in these metabolites. In contrast, analysis of the Cs resonances yielded S ≈ (113 - 137) × 10 -4. Thus, the immobilization of the Cs imidazole ring owing to an anisotropic cellular substructure in human m. gastrocnemius is much more effective than for (P)Cr and Tau subgroups. Furthermore, 1H NMR experiments on aqueous model

  13. An encodable lanthanide binding tag with reduced size and flexibility for measuring residual dipolar couplings and pseudocontact shifts in large proteins.

    PubMed

    Barb, Adam W; Subedi, Ganesh P

    2016-01-01

    Metal ions serve important roles in structural biology applications from long-range perturbations seen in magnetic resonance experiments to electron-dense signatures in X-ray crystallography data; however, the metal ion must be secured in a molecular framework to achieve the maximum benefit. Polypeptide-based lanthanide-binding tags (LBTs) represent one option that can be directly encoded within a recombinant protein expression construct. However, LBTs often exhibit significant mobility relative to the target molecule. Here we report the characterization of improved LBTs sequences for insertion into a protein loop. These LBTs were inserted to connect two parallel alpha helices of an immunoglobulin G (IgG)-binding Z domain platform. Variants A and B bound Tb(3+) with high affinity (0.70 and 0.13 μM, respectively) and displayed restricted LBT motion. Compared to the parent construct, the metal-bound A experienced a 2.5-fold reduction in tag motion as measured by magnetic field-induced residual dipolar couplings and was further studied in a 72.2 kDa complex with the human IgG1 fragment crystallizable (IgG1 Fc) glycoprotein. The appearance of both pseudo-contact shifts (-0.221 to 0.081 ppm) and residual dipolar couplings (-7.6 to 14.3 Hz) of IgG1 Fc resonances in the IgG1 Fc:(variant A:Tb(3+))2 complex indicated structural restriction of the LBT with respect to the Fc. These studies highlight the applicability of improved LBT sequences with reduced mobility to probe the structure of macromolecular systems. PMID:26728077

  14. Pulsed electron spin nutation spectroscopy of weakly exchange-coupled biradicals: a general theoretical approach and determination of the spin dipolar interaction.

    PubMed

    Ayabe, Kazuki; Sato, Kazunobu; Nishida, Shinsuke; Ise, Tomoaki; Nakazawa, Shigeaki; Sugisaki, Kenji; Morita, Yasushi; Toyota, Kazuo; Shiomi, Daisuke; Kitagawa, Masahiro; Takui, Takeji

    2012-07-01

    Weakly exchange-coupled biradicals have attracted much attention in terms of their DNP application in NMR spectroscopy for biological systems or the use of synthetic electron-spin qubits. Pulse-ESR based electron spin nutation (ESN) spectroscopy applied to biradicals is generally treated as transition moment spectroscopy from the theoretical side, illustrating that it is a powerful and facile tool to determine relatively short distances between weakly exchange-coupled electron spins. The nutation frequency as a function of the microwave irradiation strength ω(1) (angular frequency) for any cases of weakly exchange-coupled systems can be classified into three categories; D(12) (spin dipolar interaction)-driven, Δg-driven and ω(1)-driven nutation behaviour with the increasing strength of ω(1). For hetero-spin biradicals, Δg effects can be a dominating characteristic in the biradical nutation spectroscopy. Two-dimensional pulse-based electron spin nutation (2D-ESN) spectroscopy operating at the X-band can afford to determine small values of D(12) in weakly exchange-coupled biradicals in rigid glasses. The analytical expressions derived here for ω(1)-dependent nutation frequencies are based on only four electronic spin states relevant to the biradicals, while real biradical systems often have sizable hyperfine interactions. Thus, we have evaluated nuclear hyperfine effects on the nutation frequencies to check the validity of the present theoretical treatment. The experimental spin dipolar coupling of a typical TEMPO-based biradical 1, (2,2,6,6-tetra[((2)H(3))methyl]-[3,3-(2)H(2),4-(2)H(1),5,5-(2)H(2)]piperidin-N-oxyl-4-yl)(2,2,6,6-tetra[((2)H(3))methyl]-[3,3-(2)H(2),4-(2)H(1),5,5-(2)H(2),(15)N]piperidin-(15)N-oxyl-4-yl) terephthalate in a toluene glass, with a distance of 1.69 nm between the two spin sites is D(12) = -32 MHz (the effect of the exchange coupling J(12) is vanishing due to the homo-spin sites of 1, i.e.Δg = 0), while 0 < |J(12)|≦ 1.0 MHz as

  15. Threshold-Voltage Shifts in Organic Transistors Due to Self-Assembled Monolayers at the Dielectric: Evidence for Electronic Coupling and Dipolar Effects.

    PubMed

    Aghamohammadi, Mahdieh; Rödel, Reinhold; Zschieschang, Ute; Ocal, Carmen; Boschker, Hans; Weitz, R Thomas; Barrena, Esther; Klauk, Hagen

    2015-10-21

    The mechanisms behind the threshold-voltage shift in organic transistors due to functionalizing of the gate dielectric with self-assembled monolayers (SAMs) are still under debate. We address the mechanisms by which SAMs determine the threshold voltage, by analyzing whether the threshold voltage depends on the gate-dielectric capacitance. We have investigated transistors based on five oxide thicknesses and two SAMs with rather diverse chemical properties, using the benchmark organic semiconductor dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene. Unlike several previous studies, we have found that the dependence of the threshold voltage on the gate-dielectric capacitance is completely different for the two SAMs. In transistors with an alkyl SAM, the threshold voltage does not depend on the gate-dielectric capacitance and is determined mainly by the dipolar character of the SAM, whereas in transistors with a fluoroalkyl SAM the threshold voltages exhibit a linear dependence on the inverse of the gate-dielectric capacitance. Kelvin probe force microscopy measurements indicate this behavior is attributed to an electronic coupling between the fluoroalkyl SAM and the organic semiconductor. PMID:26415103

  16. Hybrid Approaches to Structural Characterization of Conformational Ensembles of Complex Macromolecular Systems Combining NMR Residual Dipolar Couplings and Solution X-ray Scattering.

    PubMed

    Venditti, Vincenzo; Egner, Timothy K; Clore, G Marius

    2016-06-01

    Solving structures or structural ensembles of large macromolecular systems in solution poses a challenging problem. While NMR provides structural information at atomic resolution, increased spectral complexity, chemical shift overlap, and short transverse relaxation times (associated with slow tumbling) render application of the usual techniques that have been so successful for medium sized systems (<50 kDa) difficult. Solution X-ray scattering, on the other hand, is not limited by molecular weight but only provides low resolution structural information related to the overall shape and size of the system under investigation. Here we review how combining atomic resolution structures of smaller domains with sparse experimental data afforded by NMR residual dipolar couplings (which yield both orientational and shape information) and solution X-ray scattering data in rigid-body simulated annealing calculations provides a powerful approach for investigating the structural aspects of conformational dynamics in large multidomain proteins. The application of this hybrid methodology is illustrated for the 128 kDa dimer of bacterial Enzyme I which exists in a variety of open and closed states that are sampled at various points in the catalytic cycles, and for the capsid protein of the human immunodeficiency virus. PMID:26739383

  17. Residual dipolar couplings measured in unfolded proteins are sensitive to amino-acid-specific geometries as well as local conformational sampling.

    PubMed

    Huang, Jie-rong; Gentner, Martin; Vajpai, Navratna; Grzesiek, Stephan; Blackledge, Martin

    2012-10-01

    Many functional proteins do not have well defined folded structures. In recent years, both experimental and computational approaches have been developed to study the conformational behaviour of this type of protein. It has been shown previously that experimental RDCs (residual dipolar couplings) can be used to study the backbone sampling of disordered proteins in some detail. In these studies, the backbone structure was modelled using a common geometry for all amino acids. In the present paper, we demonstrate that experimental RDCs are also sensitive to the specific geometry of each amino acid as defined by energy-minimized internal co-ordinates. We have modified the FM (flexible-Meccano) algorithm that constructs conformational ensembles on the basis of a statistical coil model, to account for these differences. The modified algorithm inherits the advantages of the FM algorithm to efficiently sample the potential energy landscape for coil conformations. The specific geometries incorporated in the new algorithm result in a better reproduction of experimental RDCs and are generally applicable for further studies to characterize the conformational properties of intrinsically disordered proteins. In addition, the internal-co-ordinate-based algorithm is an order of magnitude more efficient, and facilitates side-chain construction, surface osmolyte simulation, spin-label distribution sampling and proline cis/trans isomer simulation. PMID:22988852

  18. Determination of methyl 13C-15N dipolar couplings in peptides and proteins by three-dimensional and four-dimensional magic-angle spinning solid-state NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Helmus, Jonathan J.; Nadaud, Philippe S.; Höfer, Nicole; Jaroniec, Christopher P.

    2008-02-01

    We describe three- and four-dimensional semiconstant-time transferred echo double resonance (SCT-TEDOR) magic-angle spinning solid-state nuclear magnetic resonance (NMR) experiments for the simultaneous measurement of multiple long-range N15-Cmethyl13 dipolar couplings in uniformly C13, N15-enriched peptides and proteins with high resolution and sensitivity. The methods take advantage of C13 spin topologies characteristic of the side-chain methyl groups in amino acids alanine, isoleucine, leucine, methionine, threonine, and valine to encode up to three distinct frequencies (N15-Cmethyl13 dipolar coupling, N15 chemical shift, and Cmethyl13 chemical shift) within a single SCT evolution period of initial duration ˜1/JCC1 (where JCC1≈35Hz, is the one-bond Cmethyl13-C13 J-coupling) while concurrently suppressing the modulation of NMR coherences due to C13-C13 and N15-C13 J-couplings and transverse relaxation. The SCT-TEDOR schemes offer several important advantages over previous methods of this type. First, significant (approximately twofold to threefold) gains in experimental sensitivity can be realized for weak N15-Cmethyl13 dipolar couplings (corresponding to structurally interesting, ˜3.5Å or longer, distances) and typical Cmethyl13 transverse relaxation rates. Second, the entire SCT evolution period can be used for Cmethyl13 and/or N15 frequency encoding, leading to increased spectral resolution with minimal additional coherence decay. Third, the experiments are inherently "methyl selective," which results in simplified NMR spectra and obviates the use of frequency-selective pulses or other spectral filtering techniques. Finally, the N15-C13 cross-peak buildup trajectories are purely dipolar in nature (i.e., not influenced by J-couplings or relaxation), which enables the straightforward extraction of N15-Cmethyl13 distances using an analytical model. The SCT-TEDOR experiments are demonstrated on a uniformly C13, N15-labeled peptide, N-acetyl-valine, and a 56

  19. Asymmetric dipolar ring

    DOEpatents

    Prosandeev, Sergey A.; Ponomareva, Inna V.; Kornev, Igor A.; Bellaiche, Laurent M.

    2010-11-16

    A device having a dipolar ring surrounding an interior region that is disposed asymmetrically on the ring. The dipolar ring generates a toroidal moment switchable between at least two stable states by a homogeneous field applied to the dipolar ring in the plane of the ring. The ring may be made of ferroelectric or magnetic material. In the former case, the homogeneous field is an electric field and in the latter case, the homogeneous field is a magnetic field.

  20. Center motions of nonoverlapping condensates coupled by long-range dipolar interaction in bilayer and multilayer stacks

    NASA Astrophysics Data System (ADS)

    Huang, Chao-Chun; Wu, Wen-Chin

    2010-11-01

    We investigate the effect of anisotropic and long-range dipole-dipole interaction (DDI) on the center motions of nonoverlapping Bose-Einstein condensates in bilayer and multilayer stacks. In the bilayer, it is shown analytically that while DDI plays no role in the in-phase modes of center motions of condensates, out-of-phase mode frequency (ωo) depends crucially on the strength of DDI (ad). At the small-ad limit, ωo2(ad)-ωo2(0)∝ad. In the multilayer stack, transverse modes associated with center motions of coupled condensates are found to be optical-phonon-like. At the long-wavelength limit, phonon velocity is proportional to ad.

  1. Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings.

    PubMed

    Salmon, Loïc; Giambaşu, George M; Nikolova, Evgenia N; Petzold, Katja; Bhattacharya, Akash; Case, David A; Al-Hashimi, Hashim M

    2015-10-14

    Approaches that combine experimental data and computational molecular dynamics (MD) to determine atomic resolution ensembles of biomolecules require the measurement of abundant experimental data. NMR residual dipolar couplings (RDCs) carry rich dynamics information, however, difficulties in modulating overall alignment of nucleic acids have limited the ability to fully extract this information. We present a strategy for modulating RNA alignment that is based on introducing variable dynamic kinks in terminal helices. With this strategy, we measured seven sets of RDCs in a cUUCGg apical loop and used this rich data set to test the accuracy of an 0.8 μs MD simulation computed using the Amber ff10 force field as well as to determine an atomic resolution ensemble. The MD-generated ensemble quantitatively reproduces the measured RDCs, but selection of a sub-ensemble was required to satisfy the RDCs within error. The largest discrepancies between the RDC-selected and MD-generated ensembles are observed for the most flexible loop residues and backbone angles connecting the loop to the helix, with the RDC-selected ensemble resulting in more uniform dynamics. Comparison of the RDC-selected ensemble with NMR spin relaxation data suggests that the dynamics occurs on the ps-ns time scales as verified by measurements of R(1ρ) relaxation-dispersion data. The RDC-satisfying ensemble samples many conformations adopted by the hairpin in crystal structures indicating that intrinsic plasticity may play important roles in conformational adaptation. The approach presented here can be applied to test nucleic acid force fields and to characterize dynamics in diverse RNA motifs at atomic resolution. PMID:26306428

  2. Unveiling Inherent Degeneracies in Determining Population-Weighted Ensembles of Interdomain Orientational Distributions Using NMR Residual Dipolar Couplings: Application to RNA Helix Junction Helix Motifs.

    PubMed

    Yang, Shan; Al-Hashimi, Hashim M

    2015-07-30

    A growing number of studies employ time-averaged experimental data to determine dynamic ensembles of biomolecules. While it is well-known that different ensembles can satisfy experimental data to within error, the extent and nature of these degeneracies, and their impact on the accuracy of the ensemble determination remains poorly understood. Here, we use simulations and a recently introduced metric for assessing ensemble similarity to explore degeneracies in determining ensembles using NMR residual dipolar couplings (RDCs) with specific application to A-form helices in RNA. Various target ensembles were constructed representing different domain-domain orientational distributions that are confined to a topologically restricted (<10%) conformational space. Five independent sets of ensemble averaged RDCs were then computed for each target ensemble and a "sample and select" scheme used to identify degenerate ensembles that satisfy RDCs to within experimental uncertainty. We find that ensembles with different ensemble sizes and that can differ significantly from the target ensemble (by as much as ∑Ω ∼ 0.4 where ∑Ω varies between 0 and 1 for maximum and minimum ensemble similarity, respectively) can satisfy the ensemble averaged RDCs. These deviations increase with the number of unique conformers and breadth of the target distribution, and result in significant uncertainty in determining conformational entropy (as large as 5 kcal/mol at T = 298 K). Nevertheless, the RDC-degenerate ensembles are biased toward populated regions of the target ensemble, and capture other essential features of the distribution, including the shape. Our results identify ensemble size as a major source of uncertainty in determining ensembles and suggest that NMR interactions such as RDCs and spin relaxation, on their own, do not carry the necessary information needed to determine conformational entropy at a useful level of precision. The framework introduced here provides a general

  3. Structural plasticity and Mg2+ binding properties of RNase P P4 from combined analysis of NMR residual dipolar couplings and motionally decoupled spin relaxation.

    PubMed

    Getz, Melissa M; Andrews, Andy J; Fierke, Carol A; Al-Hashimi, Hashim M

    2007-02-01

    The P4 helix is an essential element of ribonuclease P (RNase P) that is believed to bind catalytically important metals. Here, we applied a combination of NMR residual dipolar couplings (RDCs) and a recently introduced domain-elongation strategy for measuring "motionally decoupled" relaxation data to characterize the structural dynamics of the P4 helix from Bacillus subtilis RNase P. In the absence of divalent ions, the two P4 helical domains undergo small amplitude (approximately 13 degrees) collective motions about an average interhelical angle of 10 degrees. The highly conserved U7 bulge and helical residue C8, which are proposed to be important for substrate recognition and metal binding, are locally mobile at pico- to nanosecond timescales and together form the pivot point for the collective domain motions. Chemical shift mapping reveals significant association of Mg2+ ions at the P4 major groove near the flexible pivot point at residues (A5, G22, G23) previously identified to bind catalytically important metals. The Mg2+ ions do not, however, significantly alter the structure or dynamics of P4. Analysis of results in the context of available X-ray structures of the RNA component of RNase P and structural models that include the pre-tRNA substrate suggest that the internal motions observed in P4 likely facilitate adaptive changes in conformation that take place during folding and substrate recognition, possibly aided by interactions with Mg2+ ions. Our results add to a growing view supporting the existence of functionally important internal motions in RNA occurring at nanosecond timescales. PMID:17194721

  4. Stretched poly(methyl methacrylate) gel aligns small organic molecules in chloroform. stereochemical analysis and diastereotopic proton NMR assignment in ludartin using residual dipolar couplings and 3J coupling constant analysis.

    PubMed

    Gil, Roberto R; Gayathri, Chakicherla; Tsarevsky, Nicolay V; Matyjaszewski, Krzysztof

    2008-02-01

    Poly(methyl methacrylate) (PMMA) gels prepared by copolymerizing methyl methacrylate (MMA) and various amounts of ethylene glycol dimethacrylate (EGDMA) in the presence of the radical initiator V-70 (2,2'-azobis(2,4-dimethyl-4-methoxyvaleronitrile)) can orient small organic molecules when swollen in NMR tubes with CDCl(3). The aligning properties of the stretched PMMA gels were evaluated by monitoring the quadrupolar splitting of the (2)H NMR signal of CDCl(3), and the aligning degree is proportional to the cross-linking density. Natural abundance one-bond (1)H-(13)C residual dipolar couplings (RDCs) for menthol measured in the gels depended on the cross-link density. The stereochemistry and assignment of the diastereotopic protons of the gastroprotective and nonsteroidal aromatase inhibitor sesquiterpene lactone ludartin, isolated from Stevia yaconensis var. subeglandulosa, were unambiguously determined using a combination of natural abundance one-bond (1)H-(13)C RDCs measured in a PMMA gel and a (3)J coupling constant analysis. PMID:18177050

  5. Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics

    PubMed Central

    Lakomek, Nils-Alexander; Walter, Korvin F. A.; Farès, Christophe; Lange, Oliver F.; de Groot, Bert L.; Grubmüller, Helmut; Brüschweiler, Rafael; Munk, Axel; Becker, Stefan; Meiler, Jens

    2008-01-01

    Residual dipolar couplings (RDCs) provide information about the dynamic average orientation of inter-nuclear vectors and amplitudes of motion up to milliseconds. They complement relaxation methods, especially on a time-scale window that we have called supra-\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\tau _c $$\\end{document} (\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\tau _c $$\\end{document} < supra-\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\tau _c $$\\end{document} < 50 μs). Here we present a robust approach called Self-Consistent RDC-based Model-free analysis (SCRM) that delivers RDC-based order parameters—independent of the details of the structure used for alignment tensor calculation—as well as the dynamic average orientation of the inter-nuclear vectors in the protein structure in a self-consistent manner. For ubiquitin, the SCRM analysis yields an average RDC-derived order parameter of the NH vectors \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\left\\langle {S_{rdc}^2 } \\right\\rangle = 0.72 \\pm 0.02 $$\\end{document} compared to \\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage

  6. First hyperpolarizabilities of dipolar, bis-dipolar, and octupolar molecules

    NASA Astrophysics Data System (ADS)

    Yang, Si Kyung; Ahn, Hyun Cheol; Jeon, Seung-Joon; Asselberghs, Inge; Clays, Koen; Persoons, André; Cho, Bong Rae

    2005-02-01

    A series of dipolar ( 1), bis-dipolar ( 2), and octupolar molecules ( 3) containing 1, 2, and 6 dipolar units within a molecule has been synthesized and their hyperpolarizabilities were analyzed. The βHRS increases in the order, 1 < 2 < 3. The 'monomeric' βzzz increases by approximately twofold from 1 to 2, whereas βzzz of 2 and βxxx of 3 are similar. Noteworthy is the parallel increase in the hyperpolarizability tensor with the λmax.

  7. Cross-Correlated Relaxation of Dipolar Coupling and Chemical-Shift Anisotropy in Magic-Angle Spinning R1ρ NMR Measurements: Application to Protein Backbone Dynamics Measurements.

    PubMed

    Kurauskas, Vilius; Weber, Emmanuelle; Hessel, Audrey; Ayala, Isabel; Marion, Dominique; Schanda, Paul

    2016-09-01

    Transverse relaxation rate measurements in magic-angle spinning solid-state nuclear magnetic resonance provide information about molecular motions occurring on nanosecond-to-millisecond (ns-ms) time scales. The measurement of heteronuclear ((13)C, (15)N) relaxation rate constants in the presence of a spin-lock radiofrequency field (R1ρ relaxation) provides access to such motions, and an increasing number of studies involving R1ρ relaxation in proteins have been reported. However, two factors that influence the observed relaxation rate constants have so far been neglected, namely, (1) the role of CSA/dipolar cross-correlated relaxation (CCR) and (2) the impact of fast proton spin flips (i.e., proton spin diffusion and relaxation). We show that CSA/D CCR in R1ρ experiments is measurable and that the CCR rate constant depends on ns-ms motions; it can thus provide insight into dynamics. We find that proton spin diffusion attenuates this CCR due to its decoupling effect on the doublet components. For measurements of dynamics, the use of R1ρ rate constants has practical advantages over the use of CCR rates, and this article reveals factors that have so far been disregarded and which are important for accurate measurements and interpretation. PMID:27500976

  8. Evanescent Wave-Assisted Symmetry Breaking of Gold Dipolar Nanoantennas

    PubMed Central

    Yang, Jhen-Hong; Chen, Kuo-Ping

    2016-01-01

    Symmetry-breaking and scattering cancellation were observed in the dark-mode resonance of dipolar gold nanoantennas (NAs) on glass substrates coupled with oblique incidence and total internal reflection. With the assistance of evanescent waves, the coupling efficiency was twice as strong when the incidence angle was larger than the critical angle. The Hamiltonian equation and absorption spectra were used to analyze the hybridization model of symmetric dipolar gold NAs. The antibonding mode could be coupled successfully by both transverse-magnetic (TM) and transverse-electric (TE) polarizations to NAs when the dimers orientation is parallel to the propagation direction of evanescent waves. PMID:27581766

  9. Evanescent Wave-Assisted Symmetry Breaking of Gold Dipolar Nanoantennas.

    PubMed

    Yang, Jhen-Hong; Chen, Kuo-Ping

    2016-01-01

    Symmetry-breaking and scattering cancellation were observed in the dark-mode resonance of dipolar gold nanoantennas (NAs) on glass substrates coupled with oblique incidence and total internal reflection. With the assistance of evanescent waves, the coupling efficiency was twice as strong when the incidence angle was larger than the critical angle. The Hamiltonian equation and absorption spectra were used to analyze the hybridization model of symmetric dipolar gold NAs. The antibonding mode could be coupled successfully by both transverse-magnetic (TM) and transverse-electric (TE) polarizations to NAs when the dimers orientation is parallel to the propagation direction of evanescent waves. PMID:27581766

  10. Application of the Floquet theory to multiple quantum NMR of dipolar-coupled multi-spin systems under magic angle spinning

    NASA Astrophysics Data System (ADS)

    Filip, Claudiu; Bertmer, Marko; Demco, Dan E.; Blümich, Bernhard

    A new analytical Liouville-space representation of the time-propagator under magic angle spinning (MAS) is introduced using the formalized quantum Floquet theory. This approach has the advantage that it is applicable to the analysis of any type of NMR experiment where MAS is combined with multiple-pulse excitation. General relationships describing the spectral parameters in multiple-quantum (MQ) MAS spectra are derived in this representation. Their use is illustrated with an application to double-quantum (DQ) NMR spectra of dipolarcoupled multi-spin systems. Corresponding to the separation of the MAS time-propagator into a rotor modulated and a dephasing component, two distinct mechanisms for DQ excitation are identified. One of them exploits the rotor-modulated component to excite DQ coherences through dipolar-recoupling techniques, which are familiar for spin pairs. Analytical expressions of the integral intensities and linewidths in the resulting DQ sideband pattern are derived in the form of power series expansions of the inverse rotor frequency, of which coefficients depend on structural parameters. In a multi-spin system they can most reliably be extracted in the fast spinning regime. The other mechanism exploits the dephasing component, which is characteristic to multi-spin systems only. This is shown to give rise to DQ coherences by free evolution at full rotor periods. The possibility to exploit it for selective excitation of higher order MQ coherences is discussed. In either case, the dephasing component also leads to residual broadening. The main results of the theoretical developments are demonstrated experimentally on adamantane.

  11. Dimensional Reduction in Quantum Dipolar Antiferromagnets

    NASA Astrophysics Data System (ADS)

    Babkevich, P.; Jeong, M.; Matsumoto, Y.; Kovacevic, I.; Finco, A.; Toft-Petersen, R.; Ritter, C.; Mânsson, M.; Nakatsuji, S.; Rønnow, H. M.

    2016-05-01

    We report ac susceptibility, specific heat, and neutron scattering measurements on a dipolar-coupled antiferromagnet LiYbF4 . For the thermal transition, the order-parameter critical exponent is found to be 0.20(1) and the specific-heat critical exponent -0.25 (1 ) . The exponents agree with the 2D X Y /h4 universality class despite the lack of apparent two-dimensionality in the structure. The order-parameter exponent for the quantum phase transitions is found to be 0.35(1) corresponding to (2 +1 )D . These results are in line with those found for LiErF4 which has the same crystal structure, but largely different TN, crystal field environment and hyperfine interactions. Our results therefore experimentally establish that the dimensional reduction is universal to quantum dipolar antiferromagnets on a distorted diamond lattice.

  12. Dimensional Reduction in Quantum Dipolar Antiferromagnets.

    PubMed

    Babkevich, P; Jeong, M; Matsumoto, Y; Kovacevic, I; Finco, A; Toft-Petersen, R; Ritter, C; Månsson, M; Nakatsuji, S; Rønnow, H M

    2016-05-13

    We report ac susceptibility, specific heat, and neutron scattering measurements on a dipolar-coupled antiferromagnet LiYbF_{4}. For the thermal transition, the order-parameter critical exponent is found to be 0.20(1) and the specific-heat critical exponent -0.25(1). The exponents agree with the 2D XY/h_{4} universality class despite the lack of apparent two-dimensionality in the structure. The order-parameter exponent for the quantum phase transitions is found to be 0.35(1) corresponding to (2+1)D. These results are in line with those found for LiErF_{4} which has the same crystal structure, but largely different T_{N}, crystal field environment and hyperfine interactions. Our results therefore experimentally establish that the dimensional reduction is universal to quantum dipolar antiferromagnets on a distorted diamond lattice. PMID:27232040

  13. Two dipolar atoms in a harmonic trap

    NASA Astrophysics Data System (ADS)

    Ołdziejewski, Rafał; Górecki, Wojciech; Rzążewski, Kazimierz

    2016-05-01

    Two identical dipolar atoms moving in a harmonic trap without an external magnetic field are investigated. Using the algebra of angular momentum we reduce the problem to a simple numerics. We show that the internal spin-spin interactions between the atoms couple to the orbital angular momentum causing an analogue of the Einstein-de Haas effect. We show a possibility of adiabatically pumping our system from the s-wave to the d-wave relative motion. The effective spin-orbit coupling occurs at anti-crossings of the energy levels.

  14. Dark High Density Dipolar Liquid of Excitons.

    PubMed

    Cohen, Kobi; Shilo, Yehiel; West, Ken; Pfeiffer, Loren; Rapaport, Ronen

    2016-06-01

    The possible phases and the nanoscale particle correlations of two-dimensional interacting dipolar particles is a long-sought problem in many-body physics. Here we observe a spontaneous condensation of trapped two-dimensional dipolar excitons with internal spin degrees of freedom from an interacting gas into a high density, closely packed liquid state made mostly of dark dipoles. Another phase transition, into a bright, highly repulsive plasma, is observed at even higher excitation powers. The dark liquid state is formed below a critical temperature Tc ≈ 4.8 K, and it is manifested by a clear spontaneous spatial condensation to a smaller and denser cloud, suggesting an attractive part to the interaction which goes beyond the purely repulsive dipole-dipole forces. Contributions from quantum mechanical fluctuations are expected to be significant in this strongly correlated, long living dark liquid. This is a new example of a two-dimensional atomic-like interacting dipolar liquid, but where the coupling of light to its internal spin degrees of freedom plays a crucial role in the dynamical formation and the nature of resulting condensed dark ground state. PMID:27183418

  15. Nonlinear alternating current responses of dipolar fluids

    NASA Astrophysics Data System (ADS)

    Huang, J. P.; Yu, K. W.; Karttunen, Mikko

    2004-07-01

    The frequency-dependent nonlinear dielectric increment of dipolar fluids in nonpolar fluids is often measured by using a stationary relaxation method in which two electric fields are used: The static direct current (dc) field of high strength causing the dielectric nonlinearity, and the probing alternating current (ac) field of low strength and high frequency. When a nonlinear composite is subjected to a sinusoidal electric field, the electric response in the composite will, in general, consist of ac fields at frequencies of higher-order harmonics. Based on the Fröhlich model, we present a theory to investigate the nonlinear ac responses of dipolar fluids containing both polarizable monomers and dimers. In the case of monomers only, our theory reproduces the known results. We obtain the fundamental, second-, and third-order harmonics of the Fröhlich field by performing a perturbation expansion. The even-order harmonics are induced by the coupling between the ac and dc fields, although the system under consideration has a cubic nonlinearity only. The harmonics of the Fröhlich field can be affected by the field frequency, temperature, dispersion strength, and the characteristic frequency of the dipolar fluid, as well as the dielectric constant of the nonpolar fluid. The results are found to be in agreement with recent experimental observations.

  16. Periodicity, planarity, and pixel (3P): a program using the intrinsic residual dipolar coupling periodicity-to-peptide plane correlation and phi/psi angles to derive protein backbone structures.

    PubMed

    Wang, Jinbu; Walsh, Joseph D; Kuszewski, John; Wang, Yun-Xing

    2007-11-01

    We present a detailed description of a theory and a program called 3P. "3P" stands for periodicity, planarity, and pixel. The 3P program is based on the intrinsic periodic correlations between residual dipolar couplings (RDCs) and in-plane internuclear vectors, and between RDCs and the orientation of peptide planes relative to an alignment tensor. The program extracts accurate rhombic, axial components of the alignment tensor without explicit coordinates, and discrete peptide plane orientations, which are utilized in combination with readily available phi/psi angles to determine the three-dimensional backbone structures of proteins. The 3P program uses one alignment tensor. We demonstrate the utility and robustness of the program, using both experimental and synthetic data sets, which were added with different levels of noise or were incomplete. The program is interfaced to Xplor-NIH via a "3P" module and is available to the public. The limitations and differences between our program and existing methods are also discussed. PMID:17892961

  17. Combined Use of Residual Dipolar Couplings and Solution X-ray Scattering To Rapidly Probe Rigid-Body Conformational Transitions in a Non-phosphorylatable Active-Site Mutant of the 128 kDa Enzyme I Dimer

    SciTech Connect

    Takayama, Yuki; Schwieters, Charles D.; Grishaev, Alexander; Ghirlando, Rodolfo; Clore, G. Marius

    2012-10-23

    The first component of the bacterial phosphotransferase system, enzyme I (EI), is a multidomain 128 kDa dimer that undergoes large rigid-body conformational transitions during the course of its catalytic cycle. Here we investigate the solution structure of a non-phosphorylatable active-site mutant in which the active-site histidine is substituted by glutamine. We show that perturbations in the relative orientations and positions of the domains and subdomains can be rapidly and reliably determined by conjoined rigid-body/torsion angle/Cartesian simulated annealing calculations driven by orientational restraints from residual dipolar couplings and shape and translation information afforded by small- and wide-angle X-ray scattering. Although histidine and glutamine are isosteric, the conformational space available to a Gln side chain is larger than that for the imidazole ring of His. An additional hydrogen bond between the side chain of Gln189 located on the EIN{sup {alpha}/{beta}} subdomain and an aspartate (Asp129) on the EIN{sup {alpha}} subdomain results in a small ({approx}9{sup o}) reorientation of the EIN{sup {alpha}} and EIN{sup {alpha}/{beta}} subdomains that is in turn propagated to a larger reorientation ({approx}26{sup o}) of the EIN domain relative to the EIC dimerization domain, illustrating the positional sensitivity of the EIN domain and its constituent subdomains to small structural perturbations.

  18. MMS Observations of Dipolarization Fronts

    NASA Astrophysics Data System (ADS)

    Hwang, K. J.; Goldstein, M. L.; Sibeck, D. G.; Ashour-Abdalla, M.; Nakamura, R.; Burch, J. L.; Torbert, R. B.; Moore, T. E.; Ergun, R. E.; Pollock, C. J.; Mauk, B.; Fuselier, S. A.

    2015-12-01

    We present MMS observations of dipolarization fronts. Dipolarization fronts commonly observed in Earth's plasma sheet are characterized by intense gradients in the current sheet-normal component of the magnetic field and plasma/magnetic pressure across the front. These fronts are often embedded within fast earthward flows, i.e., bursty bulk flows. Analysis using data from all four spacecraft shows the presence of both typical and atypical dipolarization fronts. Typically dipolarization fronts propagate earthward and their normals point radially inward, however, we have identified dipolarization fronts propagating tailward with normals pointing significantly away from the radial direction. Atypical dipolarization fronts observed on 7 May 2015 and 21 July 2015 are preceded or accompanied by a rapid decrease in the Bx or By components of the magnetic field. These decreases indicate that the magnetotail is first thinning and then thickening. The resulting magnetic pile-up can cause the local Bz to increase rapidly, indicating propagation tailward, as observed. These new high time resolution field and plasma observations from MMS provide exciting new insights about the dynamical changes of magnetotail topology.

  19. Influence of the properties of soft collective spin wave modes on the magnetization reversal in finite arrays of dipolarly coupled magnetic dots

    NASA Astrophysics Data System (ADS)

    Stebliy, Maxim; Ognev, Alexey; Samardak, Alexander; Chebotkevich, Ludmila; Verba, Roman; Melkov, Gennadiy; Tiberkevich, Vasil; Slavin, Andrei

    2015-06-01

    Magnetization reversal in finite chains and square arrays of closely packed cylindrical magnetic dots, having vortex ground state in the absence of the external bias field, has been studied experimentally by measuring static hysteresis loops, and also analyzed theoretically. It has been shown that the field Bn of a vortex nucleation in a dot as a function of the finite number N of dots in the array's side may exhibit a monotonic or an oscillatory behavior depending on the array geometry and the direction of the external bias magnetic field. The oscillations in the dependence Bn(N) are shown to be caused by the quantization of the collective soft spin wave mode, which corresponds to the vortex nucleation in a finite array of dots. These oscillations are directly related to the form and symmetry of the dispersion law of the soft SW mode: the oscillation could appear only if the minimum of the soft mode spectrum is not located at any of the symmetric points inside the first Brillouin zone of the array's lattice. Thus, the purely static measurements of the hysteresis loops in finite arrays of coupled magnetic dots can yield important information about the properties of the collective spin wave excitations in these arrays.

  20. Solution Structure of the 128 kDa Enzyme I Dimer from Escherichia coli and its 146 kDa Complex With HPr Using Residual Dipolar Couplings and Small and Wide Angle X-Ray Scattering

    PubMed Central

    Schwieters, Charles D.; Suh, Jeong-Yong; Grishaev, Alexander; Ghirlando, Rodolfo; Takayama, Yuki; Clore, G. Marius

    2010-01-01

    The solution structures of free Enzyme I (EI, ∼128 kDa, 575×2 residues), the first enzyme in the bacterial phosphotransferse system and its complex with HPr (∼146 kDa) have been solved using novel methodology that makes use of prior structural knowledge (namely, the structures of the dimeric EIC domain and the isolated EIN domain both free and complexed to HPr), combined with residual dipolar coupling (RDC), small (SAXS) and wide (WAXS) angle X-ray scattering and small angle neutron scattering (SANS) data. The calculational strategy employs conjoined rigid body/torsion/Cartesian simulated annealing, and incorporates improvements in calculating and refining against SAXS/WAXS data that take into account complex molecular shapes in the description of the solvent layer resulting in a better representation of the SAXS/WAXS data. The RDC data orient the symmetrically related EIN domains relative to the C2 symmetry axis of the EIC dimer, while translational, shape and size information is provided by SAXS/WAXS. The resulting structures are independently validated by SANS. Comparison of the structures of the free EI and the EI-HPr complex with that of the crystal structure of a trapped phosphorylated EI intermediate reveals large (∼70-90°) hinge body rotations of the two subdomains comprising the EIN domain, as well as of the EIN domain relative to the dimeric EIC domain. These large-scale interdomain motions shed light on the structural transitions that accompany the catalytic cycle of EI. PMID:20731394

  1. Solution NMR structure of putidaredoxin-cytochrome P450cam complex via a combined residual dipolar coupling-spin labeling approach suggests a role for Trp106 of putidaredoxin in complex formation.

    PubMed

    Zhang, Wei; Pochapsky, Susan S; Pochapsky, Thomas C; Jain, Nitin U

    2008-12-12

    The 58-kDa complex formed between the [2Fe-2S] ferredoxin, putidaredoxin (Pdx), and cytochrome P450cam (CYP101) from the bacterium Pseudomonas putida has been investigated by high-resolution solution NMR spectroscopy. Pdx serves as both the physiological reductant and effector for CYP101 in the enzymatic reaction involving conversion of substrate camphor to 5-exo-hydroxycamphor. In order to obtain an experimental structure for the oxidized Pdx-CYP101 complex, a combined approach using orientational data on the two proteins derived from residual dipolar couplings and distance restraints from site-specific spin labeling of Pdx has been applied. Spectral changes for residues in and near the paramagnetic metal cluster region of Pdx in complex with CYP101 have also been mapped for the first time using (15)N and (13)C NMR spectroscopy, leading to direct identification of the residues strongly affected by CYP101 binding. The new NMR structure of the Pdx-CYP101 complex agrees well with results from previous mutagenesis and biophysical studies involving residues at the binding interface such as formation of a salt bridge between Asp38 of Pdx and Arg112 of CYP101, while at the same time identifying key features different from those of earlier modeling studies. Analysis of the binding interface of the complex reveals that the side chain of Trp106, the C-terminal residue of Pdx and critical for binding to CYP101, is located across from the heme-binding loop of CYP101 and forms non-polar contacts with several residues in the vicinity of the heme group on CYP101, pointing to a potentially important role in complex formation. PMID:18835276

  2. A General Assignment Method for Oriented Sample (OS) Solid-state NMR of Proteins Based on The Correlation of Resonances through Heteronuclear Dipolar Couplings in Samples Aligned Parallel and Perpendicular to the Magnetic Field

    PubMed Central

    Lu, George J.; Son, Woo Sung; Opella, Stanley J.

    2011-01-01

    A general method for assigning oriented sample (OS) solid-state NMR spectra of proteins is demonstrated. In principle, this method requires only a single sample of a uniformly 15N-labeled membrane protein in magnetically aligned bilayers, and a previously assigned isotropic chemical shift spectrum obtained either from solution NMR on micelle or isotropic bicelle samples or from magic angle spinning (MAS) solid-state NMR on unoriented proteoliposomes. The sequential isotropic resonance assignments are transferred to the OS solid-state NMR spectra of aligned samples by correlating signals from the same residue observed in protein-containing bilayers aligned with their normals parallel and perpendicular to the magnetic field. The underlying principle is that the resonances from the same residue have heteronuclear dipolar couplings that differ by exactly a factor of two between parallel and perpendicular alignments. The method is demonstrated on the membrane-bound form of Pf1 coat protein in phospholipid bilayers, whose assignments have been previously made using an earlier generation of methods that relied on the preparation of many selectively labeled (by residue type) samples. The new method provides the correct resonance assignments using only a single uniformly 15N-labeled sample, two solid-state NMR spectra, and a previously assigned isotropic spectrum. Significantly, this approach is equally applicable to residues in alpha helices, beta sheets, loops, and any other elements of tertiary structure. Moreover, the strategy bridges between OS solid-state NMR of aligned samples and solution NMR or MAS solid-state NMR of unoriented samples. In combination with the development of complementary experimental methods, it provides a step towards unifying these apparently different NMR approaches. PMID:21316275

  3. Dynamics of nematic order in ultracold dipolar gases

    NASA Astrophysics Data System (ADS)

    Ebling, Ulrich; Ueda, Masahito

    2016-05-01

    We study dynamcial properties of ultracold atoms with strong dipole-dipole interactions, such as rare-earth atoms like Erbium or Dysprosium. Dipole-dipole interactions are anisotropic and can lead to the appearance of two types of nematic order in such quantum gases. Orbital nematic order is related to spatial anisotropies such as the deformation of a Fermi surface of an ultracold dipolar Fermi gas. Spin nematic order is present only in systems with spin larger than 1/2 as a higher moment of the spin operators. We study the case of a not fully polarized dipolar gas, such that the intrinsic coupling of spin and orbital degrees of freedom can lead to an interplay between orbital and spin nematic order. We investigate how this interplay can lead to a transfer between orbital and spin nematicity, similar to the transfer of spin into orbital angular momentum predicted for dipolar gases.

  4. Beliaev damping in quasi-two-dimensional dipolar condensates

    NASA Astrophysics Data System (ADS)

    Wilson, Ryan M.; Natu, Stefan

    2016-05-01

    We study the effects of quasiparticle interactions in a quasi-two-dimensional (quasi-2D), zero-temperature Bose-Einstein condensate of dipolar atoms, which can exhibit a roton-maxon feature in its quasiparticle spectrum. Our focus is the Beliaev damping process, in which a quasiparticle collides with the condensate and resonantly decays into a pair of quasiparticles. Remarkably, the rate for this process exhibits a highly nontrivial dependence on the quasiparticle momentum and the dipolar interaction strength. For weak interactions, low-energy phonons experience no damping, and higher-energy quasiparticles undergo anomalously weak damping. In contrast, the Beliaev damping rates become anomalously large for stronger dipolar interactions, as rotons become energetically accessible as final states. When the dipoles are tilted off the axis of symmetry, the damping rates acquire an anisotropic character. Surprisingly, this anisotropy does not simply track the anisotropy of the dipolar interactions, rather, the mechanisms for damping are qualitatively modified in the anisotropic case. Our study reveals the unconventional nature of Beliaev damping in dipolar condensates, and has important implications for ongoing studies of equilibrium and nonequilibrium dynamics in these systems. Further, our results are relevant for other 2D superfluids with roton excitations, including spin-orbit-coupled Bose gases, magnon condensates, and 4He films.

  5. Dipolar dynamos in stratified systems

    NASA Astrophysics Data System (ADS)

    Raynaud, R.; Petitdemange, L.; Dormy, E.

    2015-04-01

    Observations of low-mass stars reveal a variety of magnetic field topologies ranging from large-scale, axial dipoles to more complex magnetic fields. At the same time, three-dimensional spherical simulations of convectively driven dynamos reproduce a similar diversity, which is commonly obtained either with Boussinesq models or with more realistic models based on the anelastic approximation, which take into account the variation of the density with depth throughout the convection zone. Nevertheless, a conclusion from different anelastic studies is that dipolar solutions seem more difficult to obtain as soon as substantial stratifications are considered. In this paper, we aim at clarifying this point by investigating in more detail the influence of the density stratification on dipolar dynamos. To that end, we rely on a systematic parameter study that allows us to clearly follow the evolution of the stability domain of the dipolar branch as the density stratification is increased. The impact of the density stratification both on the dynamo onset and the dipole collapse is discussed and compared to previous Boussinesq results. Furthermore, our study indicates that the loss of the dipolar branch does not ensue from a specific modification of the dynamo mechanisms related to the background stratification, but could instead result from a bias as our observations naturally favour a certain domain in the parameter space characterized by moderate values of the Ekman number, owing to current computational limitations. Moreover, we also show that the critical magnetic Reynolds number of the dipolar branch is scarcely modified by the increase of the density stratification, which provides an important insight into the global understanding of the impact of the density stratification on the stability domain of the dipolar dynamo branch.

  6. Dipolar molecules in optical lattices.

    PubMed

    Sowiński, Tomasz; Dutta, Omjyoti; Hauke, Philipp; Tagliacozzo, Luca; Lewenstein, Maciej

    2012-03-16

    We study the extended Bose-Hubbard model describing an ultracold gas of dipolar molecules in an optical lattice, taking into account all on-site and nearest-neighbor interactions, including occupation-dependent tunneling and pair tunneling terms. Using exact diagonalization and the multiscale entanglement renormalization ansatz, we show that these terms can destroy insulating phases and lead to novel quantum phases. These considerable changes of the phase diagram have to be taken into account in upcoming experiments with dipolar molecules. PMID:22540482

  7. Angular momentum conservation in dipolar energy transfer.

    PubMed

    Guo, Dong; Knight, Troy E; McCusker, James K

    2011-12-23

    Conservation of angular momentum is a familiar tenet in science but has seldom been invoked to understand (or predict) chemical processes. We have developed a general formalism based on Wigner's original ideas concerning angular momentum conservation to interpret the photo-induced reactivity of two molecular donor-acceptor assemblies with physical properties synthetically tailored to facilitate intramolecular energy transfer. Steady-state and time-resolved spectroscopic data establishing excited-state energy transfer from a rhenium(I)-based charge-transfer state to a chromium(III) acceptor can be fully accounted for by Förster theory, whereas the corresponding cobalt(III) adduct does not undergo an analogous reaction despite having a larger cross-section for dipolar coupling. Because this pronounced difference in reactivity is easily explained within the context of the angular momentum conservation model, this relatively simple construct may provide a means for systematizing a broad range of chemical reactions. PMID:22194572

  8. (1)H, (15)N and (13)C resonance assignments of translationally-controlled tumor protein from photosynthetic microalga Nannochloropsis oceanica.

    PubMed

    Yao, Xingzhe; Xiao, Yan; Cui, Qiu; Feng, Yingang

    2015-10-01

    Translationally-controlled tumor protein (TCTP) is a eukaryote-conserved protein with crucial roles in cellular growth. It has also been proposed that plant TCTP has functions specific to plant, while no structure of TCTP from photosynthetic organism has been reported. Nannochloropsis is a photosynthetic microalga with high yield of lipid and high-value polyunsaturated fatty acid, which is promising for biodiesel production. Study of growth-related proteins may provide new clue for improving the yield of lipid. TCTP from Nannochloropsis oceanica shares low sequence identity with structure-known TCTPs. Here we reported the NMR resonance assignments of TCTP from N. oceanica for further structural and functional studies. PMID:25680850

  9. Backbone and sidechain 1H, 15N and 13C assignments of the KSR1 CA1 domain

    PubMed Central

    Koveal, Dorothy; Pinheiro, Anderson S.; Peti, Wolfgang; Page, Rebecca

    2014-01-01

    The backbone and side chain resonance assignments of the murine KSR1 CA1 domain have been determined based on triple-resonance experiments using uniformly [13C, 15N]-labeled protein. This assignment is the first step towards the determination of the three-dimensional structure of the unique KSR1 CA1 domain. PMID:20737253

  10. 1H, 15N and 13C assignment of the amyloidogenic protein medin using fast-pulsing NMR techniques.

    PubMed

    Davies, H A; Phelan, M M; Madine, J

    2016-04-01

    Thirty-one proteins are known to form extracellular fibrillar amyloid in humans. Molecular information about many of these proteins in their monomeric, intermediate or fibrillar form and how they aggregate and interact to form the insoluble fibrils is sparse. This is because amyloid proteins are notoriously difficult to study in their soluble forms, due to their inherent propensity to aggregate. Using recent developments in fast NMR techniques, band-selective excitation short transient and band-selective optimized flip-angle short-transient heteronuclear multiple quantum coherence we have been able to assign a 5 kDa full-length amyloidogenic protein called medin. Medin is the key protein component of the most common form of localised amyloid with a proposed role in aortic aneurysm and dissection. This assignment will now enable the study of the early interactions that could influence initiation and progression of medin aggregation. The chemical shifts have been deposited in the BioMagRes-Bank accession Nos. 25399 and 26576. PMID:26377205

  11. Improving dipolar recoupling for site-specific structural and dynamics studies in biosolids NMR: windowed RN-symmetry sequences.

    PubMed

    Lu, Xingyu; Zhang, Huilan; Lu, Manman; Vega, Alexander J; Hou, Guangjin; Polenova, Tatyana

    2016-02-01

    Experimental characterization of one-bond heteronuclear dipolar couplings is essential for structural and dynamics characterization of molecules by solid-state NMR. Accurate measurement of heteronuclear dipolar tensor parameters in magic-angle spinning NMR requires that the recoupling sequences efficiently reintroduce the desired heteronuclear dipolar coupling term, fully suppress other interactions (such as chemical shift anisotropy and homonuclear dipolar couplings), and be insensitive to experimental imperfections, such as radio frequency (rf) field mismatch. In this study, we demonstrate that the introduction of window delays into the basic elements of a phase-alternating R-symmetry (PARS) sequence results in a greatly improved protocol, termed windowed PARS (wPARS), which yields clean dipolar lineshapes that are unaffected by other spin interactions and are largely insensitive to experimental imperfections. Higher dipolar scaling factors can be attained in this technique with respect to PARS, which is particularly useful for the measurement of relatively small dipolar couplings. The advantages of wPARS are verified experimentally on model molecules N-acetyl-valine (NAV) and a tripeptide Met-Leu-Phe (MLF). The incorporation of wPARS into 3D heteronuclear or homonuclear correlation experiments permits accurate site-specific determination of dipolar tensors in proteins, as demonstrated on dynein light chain 8 (LC8). Through 3D wPARS recoupling based spectroscopy we have determined both backbone and side chain dipolar tensors in LC8 in a residue-resolved manner. We discuss these in the context of conformational dynamics of LC8. We have addressed the effect of paramagnetic relaxant Cu(ii)-EDTA doping on the dipolar coupling parameters in LC8 and observed no significant differences with respect to the neat sample permitting fast data collection. Our results indicate that wPARS is advantageous with respect to the windowless version of the sequence and is applicable

  12. Structure of the ternary complex formed by a chemotaxis receptor signaling domain, the CheA histidine kinase and the coupling protein CheW as determined by pulsed dipolar ESR spectroscopy†

    PubMed Central

    Bhatnagar, Jaya; Borbat, Peter P.; Pollard, Abiola M.; Bilwes, Alexandrine M.; Freed, Jack H.; Crane, Brian R.

    2010-01-01

    The signaling apparatus that controls bacterial chemotaxis is composed of a core complex containing chemoreceptors, the histidine auto-kinase CheA, and the coupling protein CheW. Site-specific spin labeling and pulsed-dipolar ESR spectroscopy (PDS) have been applied to investigate the structure of a soluble ternary complex formed by T. maritima CheA (TmCheA), CheW, and receptor signaling domains. Thirty-five symmetric spin-labels sites (SLSs) were engineered into the five domains of the CheA dimer and CheW to provide distance restraints within the CheA:CheW complex in the absence and presence of a soluble receptor that inhibits kinase activity (Tm14). Additional PDS restraints between spin-labeled CheA, CheW and an engineered single-chain receptor labeled at six different sites allows docking of the receptor structure relative to the CheA:CheW complex. Disulfide cross-linking between selectively incorporated Cys residues finds two pairs of positions that provide further constraints within the ternary complex: one involving Tm14 and CheW, and another involving Tm14 and CheA. The derived structure of the ternary complex indicates a primary site of interaction between CheW and Tm14 that agrees well with previous biochemical and genetic data on transmembrane chemoreceptors. The PDS distance distributions are most consistent with only one CheW directly engaging one dimeric Tm14. The CheA dimerization domain (P3) aligns roughly antiparallel to the receptor conserved signaling tip, but does not interact strongly with it. The angle of the receptor axis with respect to P3 and the CheW-binding P5 domains is bound by two limits differing by ~20°. In one limit, Tm14 aligns roughly along P3 and may interact to some extent with the hinge region near the P3 hairpin loop. In the other limit, Tm14 tilts to interact with the P5 domain of the opposite subunit in an interface that mimics that observed with the P5 homolog CheW. The time-domain ESR data can be simulated from the model

  13. Dipolar dark matter with massive bigravity

    SciTech Connect

    Blanchet, Luc; Heisenberg, Lavinia

    2015-12-14

    Massive gravity theories have been developed as viable IR modifications of gravity motivated by dark energy and the problem of the cosmological constant. On the other hand, modified gravity and modified dark matter theories were developed with the aim of solving the problems of standard cold dark matter at galactic scales. Here we propose to adapt the framework of ghost-free massive bigravity theories to reformulate the problem of dark matter at galactic scales. We investigate a promising alternative to dark matter called dipolar dark matter (DDM) in which two different species of dark matter are separately coupled to the two metrics of bigravity and are linked together by an internal vector field. We show that this model successfully reproduces the phenomenology of dark matter at galactic scales (i.e. MOND) as a result of a mechanism of gravitational polarisation. The model is safe in the gravitational sector, but because of the particular couplings of the matter fields and vector field to the metrics, a ghost in the decoupling limit is present in the dark matter sector. However, it might be possible to push the mass of the ghost beyond the strong coupling scale by an appropriate choice of the parameters of the model. Crucial questions to address in future work are the exact mass of the ghost, and the cosmological implications of the model.

  14. Dipolar dark matter with massive bigravity

    NASA Astrophysics Data System (ADS)

    Blanchet, Luc; Heisenberg, Lavinia

    2015-12-01

    Massive gravity theories have been developed as viable IR modifications of gravity motivated by dark energy and the problem of the cosmological constant. On the other hand, modified gravity and modified dark matter theories were developed with the aim of solving the problems of standard cold dark matter at galactic scales. Here we propose to adapt the framework of ghost-free massive bigravity theories to reformulate the problem of dark matter at galactic scales. We investigate a promising alternative to dark matter called dipolar dark matter (DDM) in which two different species of dark matter are separately coupled to the two metrics of bigravity and are linked together by an internal vector field. We show that this model successfully reproduces the phenomenology of dark matter at galactic scales (i.e. MOND) as a result of a mechanism of gravitational polarisation. The model is safe in the gravitational sector, but because of the particular couplings of the matter fields and vector field to the metrics, a ghost in the decoupling limit is present in the dark matter sector. However, it might be possible to push the mass of the ghost beyond the strong coupling scale by an appropriate choice of the parameters of the model. Crucial questions to address in future work are the exact mass of the ghost, and the cosmological implications of the model.

  15. Monte Carlo simulations of kagome lattices with magnetic dipolar interactions

    NASA Astrophysics Data System (ADS)

    Plumer, Martin; Holden, Mark; Way, Andrew; Saika-Voivod, Ivan; Southern, Byron

    Monte Carlo simulations of classical spins on the two-dimensional kagome lattice with only dipolar interactions are presented. In addition to revealing the sixfold-degenerate ground state, the nature of the finite-temperature phase transition to long-range magnetic order is discussed. Low-temperature states consisting of mixtures of degenerate ground-state configurations separated by domain walls can be explained as a result of competing exchange-like and shape-anisotropy-like terms in the dipolar coupling. Fluctuations between pairs of degenerate spin configurations are found to persist well into the ordered state as the temperature is lowered until locking in to a low-energy state. Results suggest that the system undergoes a continuous phase transition at T ~ 0 . 43 in agreement with previous MC simulations but the nature of the ordering process differs. Preliminary results which extend this analysis to the 3D fcc ABC-stacked kagome systems will be presented.

  16. Properties of dipolar bosonic quantum gases at finite temperatures

    NASA Astrophysics Data System (ADS)

    Boudjemâa, Abdelâali

    2016-07-01

    The properties of ultracold quantum gases of bosons with dipole–dipole interaction are investigated at finite temperature in the frame of representative ensembles theory. Self-consistent coupled equations of motion are derived for the condensate and the non-condensate components. Corrections due to the dipolar interaction to condensate depletion, the anomalous density and thermodynamic quantities such as the ground state energy, the equation of state, the compressibility and the presure are calculated in the homogeneous case at both zero and finite temperatures. Effects of interaction and temperature on the structure factor are also discussed. Within the realm of the local density approximation, we generalize our results to the case of a trapped dipolar gas.

  17. Particle acceleration in dipolarization events

    NASA Astrophysics Data System (ADS)

    Birn, J.; Hesse, M.; Nakamura, R.; Zaharia, S.

    2013-05-01

    Using the electromagnetic fields of a recent MHD simulation of magnetotail reconnection, flow bursts and dipolarization, we investigate the acceleration of test particles (protons and electrons) to suprathermal energies, confirming and extending earlier results on acceleration mechanisms and sources. (Part of the new results have been reviewed recently in Birn et al., Space Science Reviews, 167, doi:10.1007/ s11214-012-9874-4.) The test particle simulations reproduce major features of energetic particle events (injections) associated with substorms or other dipolarization events, particularly a rapid rise of energetic particle fluxes over limited ranges of energy. The major acceleration mechanisms for electrons are betatron acceleration and Fermi acceleration in the collapsing magnetic field. Ions, although non-adiabatic, undergo similar acceleration. Two major entry mechanisms into the acceleration site are identified: cross-tail drift from the inner tail plasma sheet and reconnection entry from field lines extending to the more distant plasma sheet. The former dominates early in an event and at higher energies (hundreds of keV) while the latter constitutes the main source later and at lower energies (tens of keV). Despite the fact that the injection front moves earthward in the tail, the peak of energetic particle fluxes moves to higher latitude when mapped from the near-Earth boundary to Earth in a static magnetic field model.

  18. Energetic ions in dipolarization events

    NASA Astrophysics Data System (ADS)

    Birn, J.; Runov, A.; Hesse, M.

    2015-09-01

    We investigate ion acceleration in dipolarization events in the magnetotail, using the electromagnetic fields of an MHD simulation of magnetotail reconnection and flow bursts as basis for test particle tracing. The simulation results are compared with "Time History of Events and Macroscale Interactions during Substorms" observations. We provide quantitative answers to the relative importance of source regions and source energies. Flux decreases at proton energies up to 10-20 keV are found to be due to sources of lobe or plasma sheet boundary layer particles that enter the near tail via reconnection. Flux increases result from both thermal and suprathermal ion sources. Comparable numbers of accelerated protons enter the acceleration region via cross-tail drift from the dawn flanks of the near-tail plasma sheet and via reconnection of field lines extending into the more distant tail. We also demonstrate the presence of earthward plasma flow and accelerated suprathermal ions ahead of a dipolarization front. The flow acceleration stems from a net Lorentz force, resulting from reduced pressure gradients within a pressure pile-up region ahead of the front. Suprathermal precursor ions result from, typically multiple reflections at the front. Low-energy ions also become accelerated due to inertial drift in the direction of the small precursor electric field.

  19. Dipolarization Fronts from Reconnection Onset

    NASA Astrophysics Data System (ADS)

    Sitnov, M. I.; Swisdak, M. M.; Merkin, V. G.; Buzulukova, N.; Moore, T. E.

    2012-12-01

    Dipolarization fronts observed in the magnetotail are often viewed as signatures of bursty magnetic reconnection. However, until recently spontaneous reconnection was considered to be fully prohibited in the magnetotail geometry because of the linear stability of the ion tearing mode. Recent theoretical studies showed that spontaneous reconnection could be possible in the magnetotail geometries with the accumulation of magnetic flux at the tailward end of the thin current sheet, a distinctive feature of the magnetotail prior to substorm onset. That result was confirmed by open-boundary full-particle simulations of 2D current sheet equilibria, where two magnetotails were separated by an equilibrium X-line and weak external electric field was imposed to nudge the system toward the instability threshold. To investigate the roles of the equilibrium X-line, driving electric field and other parameters in the reconnection onset process we performed a set of 2D PIC runs with different initial settings. The investigated parameter space includes the critical current sheet thickness, flux tube volume per unit magnetic flux and the north-south component of the magnetic field. Such an investigation is critically important for the implementation of kinetic reconnection onset criteria into global MHD codes. The results are compared with Geotail visualization of the magnetotail during substorms, as well as Cluster and THEMIS observations of dipolarization fronts.

  20. Pseudopotentials for an ultracold dipolar gas

    NASA Astrophysics Data System (ADS)

    Whitehead, T. M.; Conduit, G. J.

    2016-02-01

    A gas of ultracold molecules interacting via the long-range dipolar potential offers a highly controlled environment in which to study strongly correlated phases. However, at particle coalescence the divergent 1 /r3 dipolar potential and associated pathological wave function hinder computational analysis. For a dipolar gas constrained to two dimensions we overcome these numerical difficulties by proposing a pseudopotential that is explicitly smooth at particle coalescence, resulting in a 2000-times speedup in diffusion Monte Carlo calculations. The pseudopotential delivers the scattering phase shifts of the dipolar interaction with an accuracy of 10-5 and predicts the energy of a dipolar gas to an accuracy of 10-4EF in a diffusion Monte Carlo calculation.

  1. Experimental evidence of dipolar interaction in bilayer nanocomposite magnets

    NASA Astrophysics Data System (ADS)

    Zambano, A. J.; Oguchi, H.; Takeuchi, I.; Liu, J. P.; Lofland, S. E.; Bendersky, L. A.; Liu, Y.; Wang, Z. L.

    2011-06-01

    We use magnetic thin film hard/non/soft-magnetic trilayer systems to probe the nature of the hard-soft phase interaction and the role played by dipolar fields in one-dimensional ( d) magnetic systems. We have systematically investigated six wedge samples where the thickness of a Cu spacer layer ( t Cu) was gradually changed to create a varying interfacial effect on the interaction between a CoPt hard layer and a Fe soft layer. Magneto-optical Kerr effect was used to obtain the magnetization loops at 28 points on each sample, and the nucleation field ( H N ) as a function of t Cu was employed to characterize the layer interaction as a function of t Cu. H N ( t Cu) show a RKKY oscillatory behavior in addition to a non-negligible dipolar contribution, which had an exponential dependence. The dipolar term, which cannot be always neglected, is affected by the interface roughness and also by the CoPt crystallinity. Therefore, we cannot always consider exchange coupling to be the dominant interaction in one- d hard-soft magnetic bilayer systems, particularly, during magnetic reversal.

  2. Diffusion-limited deposition of dipolar particles.

    PubMed

    de los Santos, F; Tavares, J M; Tasinkevych, M; Telo da Gama, M M

    2004-06-01

    Deposits of dipolar particles are investigated by means of extensive Monte Carlo simulations. We found that the effect of the interactions is described by an initial, nonuniversal, scaling regime characterized by orientationally ordered deposits. In the dipolar regime, the order and geometry of the clusters depend on the strength of the interactions and the magnetic properties are tunable by controlling the growth conditions. At later stages, the growth is dominated by thermal effects and the diffusion-limited universal regime obtains, at finite temperatures. At low temperatures the crossover size increases exponentially as T decreases and at T=0 only the dipolar regime is observed. PMID:15244567

  3. Coexistence in dipolar fluids in a field

    NASA Astrophysics Data System (ADS)

    Stevens, Mark J.; Grest, Gary S.

    1994-06-01

    We examine two phase coexistence for soft sphere dipolar fluids in an applied field, H. Besides being a fundamental test system for theory, dipolar fluids are used as models for ferrofluids. Gibbs ensemble simulations were performed to determine the coexistence curve and an estimate of the critical temperature, Tc, and density, ρc, as a function of applied magnetic field. In zero field we show that coexistence most likely does not occur and if it does can only do so in a narrow range of densities much lower than predicted theoretically. We discuss the structure of soft sphere dipolar systems, which turns out to be much more complex than previously thought.

  4. Dipolar fluids near a dielectric surface

    NASA Astrophysics Data System (ADS)

    Wang, Ziwei; Luijten, Erik

    The behavior of dipolar fluids near an interface is of fundamental importance in a broad variety of fields, including colloid chemistry, electrochemistry, biochemistry and surface science. The structural properties of such a fluid are affected not only by the presence of surface charge, but also by a dielectric mismatch across the interface. Using large-scale Monte Carlo simulations that explicitly take into account dielectric effects, we investigate a prototypical dipolar fluid. In addition to the organization of the fluid, characterized through the dipolar orientations and spatial correlations, we also calculate the surface tension by employing simulations in the grand-canonical ensemble.

  5. Molecular dipolar crystals as high-fidelity quantum memory for hybrid quantum computing

    NASA Astrophysics Data System (ADS)

    Rabl, P.; Zoller, P.

    2007-10-01

    We study collective excitations of rotational and spin states of an ensemble of polar molecules, which are prepared in a dipolar crystalline phase, as a candidate for a high-fidelity quantum memory. While dipolar crystals are formed in the high-density limit of cold clouds of polar molecules under one- and two-dimensional trapping conditions, the crystalline structure protects the molecular qubits from detrimental effects of short-range collisions. We calculate the lifetime of the quantum memory by identifying the dominant decoherence mechanisms, and estimate their effects on gate operations, when a molecular ensemble qubit is transferred to a superconducting strip line cavity (circuit QED). In the case of rotational excitations coupled by dipole-dipole interactions we identify phonons as the main limitation of the lifetime of qubits. We study specific setups and conditions, where the coupling to the phonon modes is minimized. Detailed results are presented for a one-dimensional dipolar chain.

  6. Two-dimensional dipolar nematic colloidal crystals.

    PubMed

    Skarabot, M; Ravnik, M; Zumer, S; Tkalec, U; Poberaj, I; Babic, D; Osterman, N; Musevic, I

    2007-11-01

    We study the interactions and directed assembly of dipolar nematic colloidal particles in planar nematic cells using laser tweezers. The binding energies for two stable configurations of a colloidal pair with homeotropic surface alignment are determined. It is shown that the orientation of the dipolar colloidal particle can efficiently be controlled and changed by locally quenching the nematic liquid crystal from the laser-induced isotropic phase. The interaction of a single colloidal particle with a single colloidal chain is determined and the interactions between pairs of colloidal chains are studied. We demonstrate that dipolar colloidal chains self-assemble into the two-dimensional (2D) dipolar nematic colloidal crystals. An odd-even effect is observed with increasing number of colloidal chains forming the 2D colloidal crystal. PMID:18233658

  7. Synchronization of spin torque nano-oscillators through dipolar interactions

    SciTech Connect

    Chen, Hao-Hsuan Wu, Jong-Ching Horng, Lance; Lee, Ching-Ming; Chang, Ching-Ray Chang, Jui-Hang

    2014-04-07

    In an array of spin-torque nano-oscillators (STNOs) that combine a perpendicular polarized fixed layer with strong in-plane anisotropy in the free layers, magnetic dipolar interactions can effectively phase-lock the array, thus further enhancing the power of the output microwave signals. We perform a qualitative analysis of the synchronization of an array based on the Landau-Lifshitz-Gilbert equation, with a spin-transfer torque that assumes strong in-plane anisotropy. Finally, we present the numerical results for four coupled STNOs to provide further evidence for the proposed theory.

  8. Dipolar correlations in liquid water

    SciTech Connect

    Zhang, Cui; Galli, Giulia

    2014-08-28

    We present an analysis of the dipolar correlations in water as a function of temperature and density and in the presence of simple ionic solutes, carried out using molecular dynamics simulations and empirical potentials. We show that the dipole-dipole correlation function of the liquid exhibits sizable oscillations over nanodomains of about 1.5 nm radius, with several isosbestic points as a function of temperature; the size of the nanodomains is nearly independent on temperature and density, between 240 and 400 K and 0.9 and 1.3 g/cm{sup 3}, but it is substantially affected by the presence of solvated ions. In the same range of thermodynamic conditions, the decay time (τ) of the system dipole moment varies by a factor of about 30 and 1.5, as a function of temperature and density, respectively. At 300 K, we observed a maximum in τ as a function of density, and a corresponding shallow maximum in the tetrahedral order parameter, in a range where the diffusion coefficient, the pressure and the dielectric constant increase monotonically.

  9. Probing spin dynamics from the Mott insulating to the superfluid regime in a dipolar lattice gas

    NASA Astrophysics Data System (ADS)

    de Paz, A.; Pedri, P.; Sharma, A.; Efremov, M.; Naylor, B.; Gorceix, O.; Maréchal, E.; Vernac, L.; Laburthe-Tolra, B.

    2016-02-01

    We analyze the spin dynamics of an out-of-equilibrium large spin dipolar atomic Bose gas in an optical lattice. We observe a smooth crossover from a complex oscillatory behavior to an exponential behavior throughout the Mott-to-superfluid transition. While both of these regimes are well described by our theoretical models, we provide data in the intermediate regime where dipolar interactions, contact interactions, and superexchange mechanisms compete. In this strongly correlated regime, spin dynamics and transport are coupled, which challenges theoretical models for quantum magnetism.

  10. Dissipative effects in dipolar, quantum many-body systems

    NASA Astrophysics Data System (ADS)

    Safavi-Naini, Arghavan; Capogrosso-Sansone, Barbara; Rey, Ana Maria

    2015-03-01

    We use Quantum Monte Carlo simulations, by the Worm algorithm, to study the ground state phase diagram of two-dimensional, dipolar lattice bosons where each site is coupled, via density operators, to an external reservoir. A recent related study of the XXZ model with ohmic coupling to an external reservoir reported the existence of a bath-induced Bose metal phase in the ground state phase diagram away from half filling, and a Luttinger liquid and a charge density wave at half-filling. Our work extends this methodology to higher dimensional systems with long-range interactions. In the case of hard-core bosons, our method can be applied to experimental systems featuring dipolar fermionic molecules in the presence of losses. This work utilized the Janus supercomputer, which is supported by the NSF (award number CNS-0821794) and the University of Colorado Boulder, and is a joint effort with the University of Colorado Denver and the National Center for Atmospheric Research, as well as OU Supercomputing Center for Education and Research (OSCER) at the University of Oklahoma. NIST, JILA-NSF-PFC-1125844, NSF-PIF-1211914, NSF-PHY11-25915, ARO, ARO-DARPA-OLE, AFOSR, AFOSR-MURI.

  11. Dipolar Antiferromagnetism and Quantum Criticality in LiErF4

    SciTech Connect

    Kraemer, Conradin; Nikseresht, Neda; Piatek, Julian; Tsyrulin, Nikolay; Piazza, Bastien; Kiefer, Klaus; Klemke, Bastian; Rosenbaum, Thomas; Aeppli, Professor Gabriel; Gannarelli, Che; Prokes, Karel; Straessle, Thierry; Keller, Lukas; Zaharko, Oksana; Kraemer, Karl; Ronnow, Henrik

    2012-01-01

    Magnetism has been predicted to occur in systems in which dipolar interactions dominate exchange. We present neutron scattering, specific heat, and magnetic susceptibility data for LiErF{sub 4}, establishing it as a model dipolar-coupled antiferromagnet with planar spin-anisotropy and a quantum phase transition in applied field H{sub c{parallel}} = 4.0 {+-} 0.1 kilo-oersteds. We discovered non-mean-field critical scaling for the classical phase transition at the antiferromagnetic transition temperature that is consistent with the two-dimensional XY/h{sub 4} universality class; in accord with this, the quantum phase transition at H{sub c} exhibits three-dimensional classical behavior. The effective dimensional reduction may be a consequence of the intrinsic frustrated nature of the dipolar interaction, which strengthens the role of fluctuations.

  12. Indirect detection of NMR via geometry-dependent dipolar fields, revisited.

    PubMed

    Dong, Wei; Meriles, C A

    2007-06-01

    We explore the dipolar interactions between two separate nuclear spin ensembles in a mixture containing oil and water. Here we expand initial results [C.A. Meriles, W. Dong, J. Magn. Reson. 181 (2006) 331.] to the case in which both systems have the shape of flat, stacked disks. We find that-in spite of the strong inhomogeneity of the coupling dipolar field-the signal encoded in one of the components can be made approximately proportional to the magnetization in the other. This allows us to use one of these systems as a 'sensor' to indirectly reconstruct the resonance spectrum or to determine the relaxation time of the 'sample' system. In the regime in which dipolar interactions are sufficiently strong, our method can be set to scale-up weaker signals in a non-linear fashion, which, potentially, could allow one to introduce contrast or to improve detection sensitivity of less magnetized samples. PMID:17363306

  13. Planar dipolar polymer brush: field theoretical investigations

    NASA Astrophysics Data System (ADS)

    Mahalik, Jyoti; Kumar, Rajeev; Sumpter, Bobby

    2015-03-01

    Physical properties of polymer brushes bearing monomers with permanent dipole moments and immersed in a polar solvent are investigated using self-consistent field theory (SCFT). It is found that mismatch between the permanent dipole moments of the monomer and the solvent plays a significant role in determining the height of the polymer brush. Sign as well as magnitude of the mismatch determines the extent of collapse of the polymer brush. The mismatch in the dipole moments also affects the force-distance relations and interpenetration of polymers in opposing planar brushes. In particular, an attractive force between the opposing dipolar brushes is predicted for stronger mismatch parameter. Furthermore, effects of added monovalent salt on the structure of dipolar brushes will also be presented. This investigation highlights the significance of dipolar interactions in affecting the physical properties of polymer brushes. Csmd division, Oak Ridge National Laboratory, 1 Bethel Valley Rd, Oak Ridge, TN 37831, USA.

  14. NMR Detection Using Laser-Polarized Xenon as a DipolarSensor

    SciTech Connect

    Granwehr, Josef; Urban, Jeffry T.; Trabesinger, Andreas H.; Pines, Alexander

    2005-02-28

    Hyperpolarized Xe-129 can be used as a sensor to indirectly detect NMR spectra of heteronuclei that are neither covalently bound nor necessarily in direct contact with the Xe atoms, but coupled through long-range intermolecular dipolar couplings. In order to reintroduce long-range dipolar couplings the sample symmetry has to be broken. This can be done either by an asymmetric sample arrangement, or by breaking the symmetry of the spin magnetization with field gradient pulses. Experiments are performed where only a small fraction of the available Xe-129 magnetization is used for each point, so that a single batch of xenon suffices for the point-by-point acquisition of a heteronuclear NMR spectrum. Examples with H-1 as analyte nucleus show that these methods have the potential to obtain spectra with a resolution that is high enough to determine homonuclear J couplings. The applicability of this technique with remote detection is discussed.

  15. Temperature dependence of contact and dipolar NMR chemical shifts in paramagnetic molecules

    SciTech Connect

    Martin, Bob; Autschbach, Jochen

    2015-02-07

    Using a recently proposed equation for NMR nuclear magnetic shielding for molecules with unpaired electrons [A. Soncini and W. Van den Heuvel, J. Chem. Phys. 138, 021103 (2013)], equations for the temperature (T) dependent isotropic shielding for multiplets with an effective spin S equal to 1/2, 1, 3/2, 2, and 5/2 in terms of electron paramagnetic resonance spin Hamiltonian parameters are derived and then expanded in powers of 1/T. One simplifying assumption used is that a matrix derived from the zero-field splitting (ZFS) tensor and the Zeeman coupling matrix (g-tensor) share the same principal axis system. The influence of the rhombic ZFS parameter E is only investigated for S = 1. Expressions for paramagnetic contact shielding (from the isotropic part of the hyperfine coupling matrix) and pseudo-contact or dipolar shielding (from the anisotropic part of the hyperfine coupling matrix) are considered separately. The leading order is always 1/T. A temperature dependence of the contact shielding as 1/T and of the dipolar shielding as 1/T{sup 2}, which is sometimes assumed in the assignment of paramagnetic chemical shifts, is shown to arise only if S ≥ 1 and zero-field splitting is appreciable, and only if the Zeeman coupling matrix is nearly isotropic (Δg = 0). In such situations, an assignment of contact versus dipolar shifts may be possible based only on linear and quadratic fits of measured variable-temperature chemical shifts versus 1/T. Numerical data are provided for nickelocene (S = 1). Even under the assumption of Δg = 0, a different leading order of contact and dipolar shifts in powers of 1/T is not obtained for S = 3/2. When Δg is not very small, dipolar and contact shifts both depend in leading order in 1/T in all cases, with sizable contributions in order 1/T{sup n} with n = 2 and higher.

  16. On the interaction of dipolar filaments.

    PubMed

    Messina, René; Spiteri, Ludovic

    2016-08-01

    The interactions of dipolar filaments such as magnetic needles and chains in strong homogeneous magnetic/electric field are investigated theoretically. Revisiting the case of uniformly magnetized/polarized parallel needles of finite size L and separated by a distance R , all the relevant regimes of attraction and/or repulsion are properly addressed and discussed. At short inter-needle separation ( R/L ≲ 0.2, the repuive pair potential of two facing needles is governed by R(-1) in strong contrast with R(-3) at long separations (R/L ≳ 2.5). This softening is attributed to an efficient long-range screening owing to the relatively long needle extension in this regime. This whole understanding of dipolar needles effective interaction is then used to grasp that of dipolar chains made up of spherical dipolar beads. When excluded-volume correlations are weak (i.e., the chains are a few beads apart), chains and needles possess virtually the same effective interaction. However, at short separation there is a remarkable hardening upon approaching two chains in registry in qualitative contrast to the needles case. PMID:27562832

  17. Plasma sheet ion energization during dipolarization events

    SciTech Connect

    Delcourt, D.C. ); Sauvaud, J.A. )

    1994-01-01

    This paper presents simulation results for acceleration processes for ions during what are referred to as dipolarization events associated with storm activity. Time variations of magnetic fields over cyclotron periods, and generation of electric fields parallel to the geomagnetic field, both contribute to ion acceleration in the plasma sheet. Calculations support the observation of earthward injection of ions during such events.

  18. Transfer of dipolar gas through the discrete localized mode.

    PubMed

    Bai, Xiao-Dong; Zhang, Ai-Xia; Xue, Ju-Kui

    2013-12-01

    By considering the discrete nonlinear Schrödinger model with dipole-dipole interactions for dipolar condensate, the existence, the types, the stability, and the dynamics of the localized modes in a nonlinear lattice are discussed. It is found that the contact interaction and the dipole-dipole interactions play important roles in determining the existence, the type, and the stability of the localized modes. Because of the coupled effects of the contact interaction and the dipole-dipole interactions, rich localized modes and their stability nature can exist: when the contact interaction is larger and the dipole-dipole interactions is smaller, a discrete bright breather occurs. In this case, while the on-site interaction can stabilize the discrete breather, the dipole-dipole interactions will destabilize the discrete breather; when both the contact interaction and the dipole-dipole interactions are larger, a discrete kink appears. In this case, both the on-site interaction and the dipole-dipole interactions can stabilize the discrete kink, but the discrete kink is more unstable than the ordinary discrete breather. The predicted results provide a deep insight into the dynamics of blocking, filtering, and transfer of the norm in nonlinear lattices for dipolar condensates. PMID:24483540

  19. Observation of dipolar spin-exchange interactions with lattice-confined polar molecules.

    PubMed

    Yan, Bo; Moses, Steven A; Gadway, Bryce; Covey, Jacob P; Hazzard, Kaden R A; Rey, Ana Maria; Jin, Deborah S; Ye, Jun

    2013-09-26

    With the production of polar molecules in the quantum regime, long-range dipolar interactions are expected to facilitate understanding of strongly interacting many-body quantum systems and to realize lattice spin models for exploring quantum magnetism. In ordinary atomic systems, where contact interactions require wavefunction overlap, effective spin interactions on a lattice can be mediated by tunnelling, through a process referred to as superexchange; however, the coupling is relatively weak and is limited to nearest-neighbour interactions. In contrast, dipolar interactions exist even in the absence of tunnelling and extend beyond nearest neighbours. This allows coherent spin dynamics to persist even for gases with relatively high entropy and low lattice filling. Measured effects of dipolar interactions in ultracold molecular gases have been limited to the modification of inelastic collisions and chemical reactions. Here we use dipolar interactions of polar molecules pinned in a three-dimensional optical lattice to realize a lattice spin model. Spin is encoded in rotational states of molecules that are prepared and probed by microwaves. Resonant exchange of rotational angular momentum between two molecules realizes a spin-exchange interaction. The dipolar interactions are apparent in the evolution of the spin coherence, which shows oscillations in addition to an overall decay of the coherence. The frequency of these oscillations, the strong dependence of the spin coherence time on the lattice filling factor and the effect of a multipulse sequence designed to reverse dynamics due to two-body exchange interactions all provide evidence of dipolar interactions. Furthermore, we demonstrate the suppression of loss in weak lattices due to a continuous quantum Zeno mechanism. Measurements of these tunnelling-induced losses allow us to determine the lattice filling factor independently. Our work constitutes an initial exploration of the behaviour of many-body spin models

  20. Dipolar Fermions in Quasi-Two-Dimensional Square Lattice

    NASA Astrophysics Data System (ADS)

    Lai, Chen-Yen; Tsai, Shan-Wen

    2013-03-01

    Motivated by recent experimental realization of quantum degenerate dipolar Fermi gas, we study a system of ultralcold single- and two-species polar fermions in a double layer two-dimensional square lattice. The long-range anisotropic nature of dipole-dipole interaction has shown a rich phase diagram on a two dimensional square lattice*. We investigate how the interlayer coupling affects the monolayer system. Our study focuses on the regime where the fermions are closed to half-filling, which is when lattice effects play an important role. We find several correlated phases by using a functional renormalization group technique, which also provides estimates for the critical temperature of each phase. [*] S. G. Bhongale et. al. arXiv:1209.2671 and Phys. Rev. Lett. 108 145301 (2012).

  1. Shielding 2Σ ultracold dipolar molecular collisions with electric fields

    NASA Astrophysics Data System (ADS)

    Quéméner, Goulven; Bohn, John L.

    2016-01-01

    The prospects for shielding ultracold, paramagnetic, dipolar molecules from inelastic and chemical collisions are investigated. Molecules placed in their first rotationally excited states are found to exhibit effective long-range repulsion for applied electric fields above a certain critical value, as previously shown for nonparamagnetic molecules. This repulsion can safely allow the molecules to scatter while reducing the risk of inelastic or chemically reactive collisions. Several molecular species of 2Σ molecules of experimental interest—RbSr, SrF, BaF, and YO—are considered, and all are shown to exhibit orders of magnitude suppression in quenching rates in a sufficiently strong laboratory electric field. It is further shown that, for these molecules described by Hund's coupling case (b), electronic and nuclear spins play the role of spectator with respect to the shielding.

  2. Enhanced nucleation fields due to dipolar interactions in nanocomposite magnets

    NASA Astrophysics Data System (ADS)

    Fischbacher, Johann; Bance, Simon; Exl, Lukas; Gusenbauer, Markus; Oezelt, Harald; Reichel, Franz; Schrefl, Thomas

    2013-03-01

    One approach to construct powerful permanent magnets while using less rare-earth elements is to combine a hard magnetic material having a high coercive field with a soft magnetic material having a high saturation magnetization at the nanometer scale and create so-called nanocomposite magnets. If both materials are strongly coupled, exchange forces will form a stable magnet. We use finite element micromagnetics simulations to investigate the changing hysteresis properties for varying arrays of soft magnetic spherical inclusions in a hard magnetic body. We show that the anisotropy arising from dipolar interactions between soft magnetic particles in a hard magnetic matrix can enhance the nucleation field by more than 10% and strongly depends on the arrangement of the inclusions.

  3. Realizing Fractional Chern Insulators in Dipolar Systems

    NASA Astrophysics Data System (ADS)

    Yao, Norman; Gorshkov, Alexey; Laumann, Chris; Lauchli, Andreas; Ye, Jun; Lukin, Mikhail

    2013-05-01

    Strongly correlated quantum systems can exhibit exotic behavior controlled by topology. We predict that the ν = 1 / 2 fractional Chern insulator arises naturally in a two-dimensional array of driven, dipolar-interacting spins. As a specific implementation, we analyze how to prepare and detect synthetic gauge potentials for the rotational excitations of ultra-cold polar molecules trapped in a deep optical lattice. With the motion of the molecules pinned, under certain conditions, these rotational excitations (acting as effective spins) form a fractional Chern insulating state. We present a detailed experimental blueprint for its realization and demonstrate that the implementation is consistent with near-term capabilities. Prospects for the realization of such phases in solid-state dipolar systems are discussed as are their possible applications.

  4. Spin squeezing in dipolar spinor condensates

    NASA Astrophysics Data System (ADS)

    Kajtoch, Dariusz; Witkowska, Emilia

    2016-02-01

    We study the effect of dipolar interactions on the level of squeezing in spin-1 Bose-Einstein condensates by using the single mode approximation. We limit our consideration to the SU(2) Lie subalgebra spanned by spin operators. The biaxial nature of dipolar interactions allows for dynamical generation of spin-squeezed states in the system. We analyze the phase portraits in the reduced mean-field space in order to determine positions of unstable fixed points. We calculate numerically the spin squeezing parameter showing that it is possible to reach the strongest squeezing set by the two-axis countertwisting model. We partially explain scaling with the system size by using the Gaussian approach and the frozen spin approximation.

  5. Magnetic dipolar interaction induced cobalt nanowires.

    PubMed

    Gong, Maogang; Dai, Qilin; Ren, Shenqiang

    2016-02-19

    The dipolar interaction of magnetic nanoparticles is of intense interest to engineer material self-assembly for anisotropic functional nanostructures. Here we report the solution synthesis of cobalt nanowires, where the one-dimensional nanowire formation is ultimately dependent on the magnetic dipolar interaction to realize in situ assembly of cobalt nanoparticles. The morphology transition of cobalt nanostructures is well controlled via the ligand-free synthesis and thermal decomposition of zero-valent cobalt precursor. This study provides a self-assembly approach to the development of anisotropic cobalt nanostructures and a better understanding of nucleation parameters, which are demonstrated to correlate strongly with the size and morphology of final cobalt nanowires. This approach may be extended to other magnetic materials for the control of their nanostructure and magnetic performance. PMID:26783195

  6. Nonequilibrium dynamics of an ultracold dipolar gas

    NASA Astrophysics Data System (ADS)

    Sykes, A. G.; Bohn, J. L.

    2015-01-01

    We study the relaxation and damping dynamics of an ultracold, but not quantum degenerate, gas consisting of dipolar particles. These simulations are performed using a direct simulation Monte Carlo method and employing the highly anisotropic differential cross section of dipoles in the Wigner threshold regime. We find that both cross-dimensional relaxation and damping of breathing modes occur at rates that are strongly dependent on the orientation of the dipole moments relative to the trap axis. The relaxation simulations are in excellent agreement with recent experimental results in erbium. The results direct our interest toward a less explored regime in dipolar gases where interactions are dominated by collision processes rather than mean-field interactions.

  7. Crystal structures and freezing of dipolar fluids.

    PubMed

    Groh, B; Dietrich, S

    2001-02-01

    We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the reduced symmetry compared to the nonpolar case the crystals are never strictly cubic. For the Stockmayer (i.e., Lennard-Jones plus dipolar) interaction three phases are found upon increasing the dipole moment: hexagonal, body-centered orthorhombic, and body-centered tetragonal. An even richer phase diagram arises for dipolar soft spheres with a purely repulsive inverse power law potential approximately r(-n). A crossover between qualitatively different sequences of phases occurs near the exponent n=12. The results are applicable to electro- and magnetorheological fluids. In addition to the exact ground state analysis we study freezing of the Stockmayer fluid by density-functional theory. PMID:11308482

  8. Low energy particle signature of substorm dipolarization

    SciTech Connect

    Liu, C.; Perez, J.D. ); Moore, T.E.; Chappell, C.R. )

    1994-02-01

    The low energy particle signature of substorm dipolarization is exhibited through a case study of RIMS data on DE-1 at [approximately]2100 MLT, ILAT = 59[degrees][approximately]65[degrees], L = 3.8 [approximately] 5.4 R[sub E], and geocentric distances 2.6[approximately]2.9 R[sub E]. A strong cross-field-line, poleward outflow that lasts for a few minutes with a velocity that reaches at least 50 km/s is correlated with substorm activity evidenced in the AE index and the MAG-1 data. All the major species (H[sup +], He[sup +], O[sup +]) are observed to have the same bulk velocity. The parallel velocities are strongly correlated with the perpendicular velocities. The parallel acceleration is shown to result from the centrifugal force of the ExB drift induced by the dipolarizing perturbation of the magnetic field. 9 refs., 4 figs.

  9. Zero sound in dipolar Fermi gases

    SciTech Connect

    Ronen, Shai; Bohn, John L.

    2010-03-15

    We study the propagation of sound in a homogeneous dipolar gas at zero temperature, which is known as zero sound. We find that undamped zero sound propagation is possible only in a range of solid angles around the direction of polarization of the dipoles. Above a critical dipole moment, we find an unstable mode, by which the gas collapses locally perpendicular to the dipoles' direction.

  10. Charge transport and exciton dissociation in organic solar cells consisting of dipolar donors mixed with C70

    NASA Astrophysics Data System (ADS)

    Griffith, Olga L.; Liu, Xiao; Amonoo, Jojo A.; Djurovich, Peter I.; Thompson, Mark E.; Green, Peter F.; Forrest, Stephen R.

    2015-08-01

    We investigate dipolar donor materials mixed with a C70 acceptor in an organic photovoltaic (OPV) cell. Dipolar donors that have donor-acceptor-acceptor (d-a-a') structure result in high conductivity pathways due to close coupling between neighboring molecules in the mixed films. We analyze the charge transfer properties of the dipolar donor:C70 mixtures and corresponding neat donors using a combination of time-resolved electroluminescence from intermolecular polaron pair states and conductive tip atomic force microscopy, from which we infer that dimers of the d-a-a' donors tend to form a continuous network of nanocrystalline clusters within the blends. Additional insights are provided by quantum-mechanical calculations of hole transfer coupling and hopping rates between donor molecules using nearest-neighbor donor packing motifs taken from crystal structural data. The approximation using only nearest-neighbor interactions leads to good agreement between donor hole hopping rates and the conductive properties of the donor:C70 blends. This represents a significant simplification from requiring details of the nano- and mesoscale morphologies of thin films to estimate their electronic characteristics. Using these dipolar donors, we obtain a maximum power conversion efficiency of 9.6 ±0.5 % under 1 sun, AM1.5G simulated illumination for an OPV comprised of an active layer containing a dipolar donor mixed with C70.

  11. COUPLING

    DOEpatents

    Hawke, B.C.

    1963-02-26

    This patent relates to a releasable coupling connecting a control rod to a control rod drive. This remotely operable coupling mechanism can connect two elements which are laterally and angviarly misaligned, and provides a means for sensing the locked condition of the elements. The coupling utilizes a spherical bayonet joint which is locked against rotation by a ball detent lock. (AEC)

  12. Synthesis of 2H-Indazoles by the [3 + 2] Dipolar Cycloaddition of Sydnones with Arynes

    PubMed Central

    Fang, Yuesi; Wu, Chunrui; Larock, Richard C.; Shi, Feng

    2011-01-01

    A rapid and efficient synthesis of 2H-indazoles has been developed using a [3 + 2] dipolar cycloaddition of sydnones and arynes. A series of 2H-indazoles have been prepared in good to excellent yields using this protocol, and subsequent Pd-catalyzed coupling reactions can be applied to the halogenated products to generate a structurally diverse library of indazoles. PMID:21970468

  13. Suppression of quantum phase interference in the molecular magnet Fe8 with dipolar-dipolar interaction

    NASA Astrophysics Data System (ADS)

    Chen, Zhi-De; Liang, J.-Q.; Shen, Shun-Qing

    2002-09-01

    Renormalized tunnel splitting with a finite distribution in the biaxial spin model for molecular magnets is obtained by taking into account the dipolar interaction of enviromental spins. Oscillation of the resonant tunnel splitting with a transverse magnetic field along the hard axis is smeared by the finite distribution, which subsequently affects the quantum steps of the hysteresis curve evaluated in terms of the modified Landau-Zener model of spin flipping induced by the sweeping field. We conclude that the dipolar-dipolar interaction drives decoherence of quantum tunneling in the molecular magnet Fe8, which explains why the quenching points of tunnel splitting between odd and even resonant tunneling predicted theoretically were not observed experimentally.

  14. Finite Temperature Response of a 2D Dipolar Bose Gas at Different Dipolar Tilt Angles

    NASA Astrophysics Data System (ADS)

    Shen, Pengtao; Quader, Khandker

    We calculate finite temperature (T) response of a 2D Bose gas, subject to dipolar interaction, within the random phase approximation (RPA). We evaluate the appropriate 2D finite-T pair bubble diagram needed in RPA, and explore ranges of density and temperature for various dipolar tilt angles. We find the system to exhibit a collapse transition and a finite momentum instability, signaling a density wave or striped phase. We construct phase diagrams depicting these instabilities and resulting phases, including a normal Bose gas phase. We also consider the finite-T response of a quasi-2D dipolar Bose gas. We discuss how our results may apply to ultracold dense Bose gas of polar molecules, such as 41K87Rb, that has been realized experimentally. Acknowledge partial support from Institute for Complex Adaptive Matter (ICAM).

  15. (1)H, (15)N and (13)C chemical shift assignment of the Gram-positive conjugative transfer protein TraHpIP501.

    PubMed

    Fercher, Christian; Keller, Walter; Zangger, Klaus; Helge Meyer, N

    2016-04-01

    Conjugative transfer of DNA represents the most important transmission pathway in terms of antibiotic resistance and virulence gene dissemination among bacteria. TraH is a putative transfer protein of the type IV secretion system (T4SS) encoded by the Gram-positive (G+) conjugative plasmid pIP501. This molecular machine involves a multi-protein core complex spanning the bacterial envelope thereby serving as a macromolecular secretion channel. Here, we report the near complete (1)H, (13)C and (15)N resonance assignment of a soluble TraH variant comprising the C-terminal domain. PMID:26559076

  16. Backbone and side-chain (1)H, (15)N, (13)C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei.

    PubMed

    Quilici, Giacomo; Berardi, Andrea; Gaudesi, Davide; Gourlay, Louise J; Bolognesi, Martino; Musco, Giovanna

    2015-10-01

    BPSL1445 is a lipoprotein produced by the Gram-negative bacterium Burkholderia pseudomallei (B. pseudomallei), the etiological agent of melioidosis. Immunodetection assays against sera patients using protein microarray suggest BPSL1445 involvement in melioidosis. Herein we report backbone, side chain NMR assignment and secondary structure for the recombinant protein. PMID:25893672

  17. NMR profiling of biomolecules at natural abundance using 2D 1H-15N and 1H-13C multiplicity-separated (MS) HSQC spectra

    NASA Astrophysics Data System (ADS)

    Chen, Kang; Freedberg, Darón I.; Keire, David A.

    2015-02-01

    2D NMR 1H-X (X = 15N or 13C) HSQC spectra contain cross-peaks for all XHn moieties. Multiplicity-edited1H-13C HSQC pulse sequences generate opposite signs between peaks of CH2 and CH/CH3 at a cost of lower signal-to-noise due to the 13C T2 relaxation during an additional 1/1JCH period. Such CHn-editing experiments are useful in assignment of chemical shifts and have been successfully applied to small molecules and small proteins (e.g. ubiquitin) dissolved in deuterated solvents where, generally, peak overlap is minimal. By contrast, for larger biomolecules, peak overlap in 2D HSQC spectra is unavoidable and peaks with opposite phases cancel each other out in the edited spectra. However, there is an increasing need for using NMR to profile biomolecules at natural abundance dissolved in water (e.g., protein therapeutics) where NMR experiments beyond 2D are impractical. Therefore, the existing 2D multiplicity-edited HSQC methods must be improved to acquire data on nuclei other than 13C (i.e.15N), to resolve more peaks, to reduce T2 losses and to accommodate water suppression approaches. To meet these needs, a multiplicity-separated1H-X HSQC (MS-HSQC) experiment was developed and tested on 500 and 700 MHz NMR spectrometers equipped with room temperature probes using RNase A (14 kDa) and retroviral capsid (26 kDa) proteins dissolved in 95% H2O/5% D2O. In this pulse sequence, the 1/1JXH editing-period is incorporated into the semi-constant time (semi-CT) X resonance chemical shift evolution period, which increases sensitivity, and importantly, the sum and the difference of the interleaved 1JXH-active and the 1JXH-inactive HSQC experiments yield two separate spectra for XH2 and XH/XH3. Furthermore we demonstrate improved water suppression using triple xyz-gradients instead of the more widely used z-gradient only water-suppression approach.

  18. Dipolar Self-Assembling in Mixtures of Propylene Carbonate and Dimethyl Sulfoxide as Revealed by the Orientational Entropy.

    PubMed

    Płowaś, Iwona; Świergiel, Jolanta; Jadżyn, Jan

    2016-08-18

    This article presents the results of static dielectric studies performed on mixtures of two strongly polar liquids important from a technological point of view: propylene carbonate (PC) and dimethyl sulfoxide (DMSO). The dielectric data were analyzed in terms of the molar orientational entropy increment induced by the probing electric field. It was found that the two polar liquids in the neat state reveal quite different molecular organization in terms of dipole-dipole self-assembling: PC exhibits a dipolar coupling of the head-to-tail type, whereas in DMSO one observes extreme restriction of dipolar association in any form. In PC + DMSO mixtures, the disintegration of the dipolar ensembles of PC molecules takes place and the progress of that process is strictly proportional to the concentration of DMSO. The static permittivity of mixtures of such differently self-organized liquids exhibits a positive deviation from the additive rule and the deviation develops symmetrically within the concentration scale. PMID:27458791

  19. Dipolar bosons on an optical lattice ring

    NASA Astrophysics Data System (ADS)

    Maik, Michał; Buonsante, Pierfrancesco; Vezzani, Alessandro; Zakrzewski, Jakub

    2011-11-01

    We consider an ultrasmall system of polarized bosons on an optical lattice with a ring topology, interacting via long-range dipole-dipole interactions. Dipoles polarized perpendicular to the plane of the ring reveal sharp transitions between different density-wave phases. As the strength of the dipolar interactions is varied, the behavior of the transitions is first-order-like. For dipoles polarized in the plane of the ring, the transitions between possible phases show pronounced sensitivity to the lattice depth. The abundance of possible configurations may be useful for quantum-information applications.

  20. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems.

    PubMed

    Chang, Zhiwei; Halle, Bertil

    2016-07-21

    In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have developed a non-perturbative theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole couplings, and Larmor frequencies. Here, we implement the general dipolar EMOR theory for a macromolecule-bound three-spin system, where one, two, or all three spins exchange with the bulk solution phase. In contrast to the previously studied two-spin system with a single dipole coupling, there are now three dipole couplings, so relaxation is affected by distinct correlations as well as by self-correlations. Moreover, relaxation can now couple the magnetizations with three-spin modes and, in the presence of a static dipole coupling, with two-spin modes. As a result of this complexity, three secondary dispersion steps with different physical origins can appear in the longitudinal relaxation dispersion profile, in addition to the primary dispersion step at the Larmor frequency matching the exchange rate. Furthermore, and in contrast to the two-spin system, longitudinal relaxation can be significantly affected by chemical shifts and by the odd-valued ("imaginary") part of the spectral density function. We anticipate that the detailed studies of two-spin and three-spin systems that have now been completed will provide the foundation for developing an approximate multi-spin dipolar EMOR theory sufficiently accurate and computationally efficient to allow quantitative molecular-level interpretation of frequency-dependent water-proton longitudinal relaxation data from biophysical model systems and soft biological tissue. PMID:27448879

  1. Nuclear magnetic relaxation by the dipolar EMOR mechanism: Three-spin systems

    NASA Astrophysics Data System (ADS)

    Chang, Zhiwei; Halle, Bertil

    2016-07-01

    In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. Starting from the stochastic Liouville equation, we have developed a non-perturbative theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole couplings, and Larmor frequencies. Here, we implement the general dipolar EMOR theory for a macromolecule-bound three-spin system, where one, two, or all three spins exchange with the bulk solution phase. In contrast to the previously studied two-spin system with a single dipole coupling, there are now three dipole couplings, so relaxation is affected by distinct correlations as well as by self-correlations. Moreover, relaxation can now couple the magnetizations with three-spin modes and, in the presence of a static dipole coupling, with two-spin modes. As a result of this complexity, three secondary dispersion steps with different physical origins can appear in the longitudinal relaxation dispersion profile, in addition to the primary dispersion step at the Larmor frequency matching the exchange rate. Furthermore, and in contrast to the two-spin system, longitudinal relaxation can be significantly affected by chemical shifts and by the odd-valued ("imaginary") part of the spectral density function. We anticipate that the detailed studies of two-spin and three-spin systems that have now been completed will provide the foundation for developing an approximate multi-spin dipolar EMOR theory sufficiently accurate and computationally efficient to allow quantitative molecular-level interpretation of frequency-dependent water-proton longitudinal relaxation data from biophysical model systems and soft biological tissue.

  2. Non-dipolar gauge links for transverse-momentum-dependent pion wave functions

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Ming

    2016-03-01

    I discuss the factorization-compatible definitions of transverse-momentumdependent (TMD) pion wave functions which are fundamental theory inputs entering QCD factorization formulae for many hard exclusive processes. I will first demonstrate that the soft subtraction factor introduced to remove both rapidity and pinch singularities can be greatly reduced by making the maximal use of the freedom to construct the Wilson-line paths when defining the TMD wave functions. I will then turn to show that the newly proposed TMD definition with non-dipolarWilson lines is equivalent to the one with dipolar gauge links and with a complicated soft function, to all orders of the perturbative expansion in the strong coupling, as far as the infrared behavior is concerned.

  3. COUPLING

    DOEpatents

    Frisch, E.; Johnson, C.G.

    1962-05-15

    A detachable coupling arrangement is described which provides for varying the length of the handle of a tool used in relatively narrow channels. The arrangement consists of mating the key and keyhole formations in the cooperating handle sections. (AEC)

  4. Dipolar Bogolons: From Superfluids to Pfaffians

    NASA Astrophysics Data System (ADS)

    Parameswaran, Siddharth; Kivelson, Steven; Shankar, R.; Sondhi, Shivaji; Spivak, Boris

    2012-02-01

    We study neutral fermionic `Bogolons' which are quasiparticle excitations of gapped phases that arise due to fermion (BCS) pairing, such as superfluids, superconductors, and paired quantum Hall states. As we demonstrate, a na"ive construction of a quasiparticle wavepacket by solving the mean-field BCS equations leads to a contradiction: there is a net electrical current even when the group velocity vanishes. Resolution of this paradox requires the computation of supercurrents in the wavepacket state, typically a complicated exercise in self-consistency. In this Letter we demonstrate that these corrections may be approximately calculated from correlations in the mean-field ground state, and lead to a divergence-free, dipolar current pattern associated with the quasiparticle. When Maxwell electrodynamics is included, as appropriate to a superconductor, this pattern is confined over a penetration depth. For paired quantum Hall states of composite fermions, the Maxwell term is replaced by a Chern-Simons term, which leads to a dipolar charge distribution, paralleling Read's observation that composite fermions are neutral dipoles.

  5. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory

    NASA Astrophysics Data System (ADS)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-01

    estimates for the effective rotational volume ( Veff dip ) are used as inputs. The fraction, Veff dip / Vmol dip , sharply decreases from ˜1 at pure dipolar solvent to ˜0.01 at neat IL, reflecting a dramatic crossover from viscosity-coupled hydrodynamic angular diffusion at low IL mole fractions to orientational relaxation predominantly via large angle jumps at high xIL. Similar results are obtained on applying the present theory to the aqueous solution of an electrolyte guanidinium chloride (GdmCl) having a permanent dipole moment associated with the cation, Gdm+.

  6. Dielectric Relaxation of Molecular Dipolar Rotors

    NASA Astrophysics Data System (ADS)

    Clarke, L.; Horansky, R.; Hinderer, T.; Price, J.; Nunez, J.; Khuong, T.; Garcia-Garibay, M.; Horinek, D.; Kottas, G.; Varaska, N.; Magnera, T.; Michl, J.

    2003-03-01

    Molecular rotors, molecules with a rotational degree of freedom about a single bond, are a fundamental element of nanoscale machinery. We study dipolar rotors arranged into either three-dimensional crystalline arrays or surface mounted to form two-dimensional films. Through dielectric relaxation experiments, we probe fundamental rotor attributes such as torsional barriers, polarization, and dipole-dipole interactions. We have measured the dielectric response of chloromethylsilyl rotors, surface mounted on fused silica, at frequencies in the kHz range and temperatures from 4 to 300 K, and find an inhomogeneous system, where the intrinsic barrier to rotation in the vapor phase has been modified by surface interactions. Using computer simulations, we have studied both thermally activated and driven rotors. We discuss work towards experimental realization of more homogeneous systems.

  7. Crystallization of a dilute atomic dipolar condensate

    NASA Astrophysics Data System (ADS)

    Bisset, Russell; Blakie, Blair

    2016-05-01

    A recent experiment found that a dilute BEC of highly-magnetic dysprosium atoms may spontaneously break up into a crystal of droplets, a process reminiscent of the Rosensweig instability [ArXiv:1508.05007]. We dynamically simulate this scenario and find that the standard dipolar Gross-Pitaevskii equation (GPE) cannot explain such a droplet crystal. Indeed, the GPE predicts too much heating during the violent droplet formation, and a droplet lifetime that is much shorter than observed in the experiment. We investigate the requisite properties of the unknown stabilization mechanism, and find that an effective repulsive interaction with a higher order density dependence than the usual two-body interactions is required to quantitatively reproduce the experimental results.

  8. Dielectric and phase behavior of dipolar spheroids.

    PubMed

    Johnson, Lewis E; Benight, Stephanie J; Barnes, Robin; Robinson, Bruce H

    2015-04-23

    The Stockmayer fluid, composed of dipolar spheres, has a well-known isotropic-ferroelectric phase transition at high dipole densities. However, there has been little investigation of the ferroelectric transition in nearly spherical fluids at dipole densities corresponding to those found in many polar solvents and in guest-host organic electro-optic materials. In this work, we examine the transition to ordered phases of low-aspect-ratio spheroids under both unperturbed and poled conditions, characterizing both the static dielectric response and thermodynamic properties of spheroidal systems. Spontaneous ferroelectric ordering was confined to a small region of aspect ratios about unity, indicating that subtle changes in sterics can have substantial influence on the behavior of coarse-grained liquid models. Our results demonstrate the importance of molecular shape in obtaining even qualitatively correct dielectric responses and provide an explanation for the success of the Onsager model as a phenomenological representation for the dielectric behavior of polar organic liquids. PMID:25821921

  9. Dipolar induced para-hydrogen-induced polarization.

    PubMed

    Buntkowsky, Gerd; Gutmann, Torsten; Petrova, Marina V; Ivanov, Konstantin L; Bommerich, Ute; Plaumann, Markus; Bernarding, Johannes

    2014-01-01

    Analytical expressions for the signal enhancement in solid-state PHIP NMR spectroscopy mediated by homonuclear dipolar interactions and single pulse or spin-echo excitation are developed and simulated numerically. It is shown that an efficient enhancement of the proton NMR signal in solid-state NMR studies of chemisorbed hydrogen on surfaces is possible. Employing typical reaction efficacy, enhancement-factors of ca. 30-40 can be expected both under ALTADENA and under PASADENA conditions. This result has important consequences for the practical application of the method, since it potentially allows the design of an in-situ flow setup, where the para-hydrogen is adsorbed and desorbed from catalyst surfaces inside the NMR magnet. PMID:25218522

  10. The Earth's magnetic field is primarily dipolar

    NASA Astrophysics Data System (ADS)

    Besse, J.; Cogne, J. P.; Courtillot, V.; Gilder, S.

    2003-04-01

    The question of the geometry of the Earth's magnetic field has been, and should remain, a central concern for all paleomagnetists. The founding assumption that the field has always been dominantly dipolar has been under recent challenge; stable, long standing octupolar contributions of up to 10% of the main dipole have been proposed for several periods in the Phanerozoic (e.g. ref. 1). Uncertainties that limit interpretation of paleomagnetic data arise from physical, field and laboratory problems. We note mainly uncertainties in rock or magnetization age, inclination shallowing in sediments, possible remagnetization, lack of proper averaging of secular variation in lavas, improperly modeled tectonics or unnoticed deformations of large blocks or plates, failure of reference APWPs to be valid, or uncertainties in past plate motions based on oceanic kinematic parameters... There are so many instances in which these problems have been demonstrated to occur or are likely (at no major cost to geophysical hypotheses and theories) that they must have been all excluded with satisfactory likelihood before the major and 'expensive' hypothesis that the field could be very significantly non-dipolar over long geological periods must be entertained. We will discuss a number of data that pertain to this problem. (a) In a recent review of the global paleomagnetic data base (ref. 2), when all data were averaged in 20 Ma windows, we were unable to find conclusive evidence for significant long term departures from a dipolar geometry, except for a contribution from a quadrupolar component of some 3% pm 2% (grand average) of the axial dipole. This confirms a result which had been suggested since the early 70's and vindicated by all recent analyses of the best data sets from the last 5 Ma (with a value up to possibly ca. 7%; see for instance Elmaleh et al, this meeting). Detailed analyses of key time periods when enough data with widespread enough coverage are available are clearly

  11. Propagation of BBFs and Dipolarization Fronts in the Global MHD simulation of February 27, 2009 Substorm

    NASA Astrophysics Data System (ADS)

    Ge, Y.; Raeder, J.; Angelopoulos, V.; Gilson, M. L.; Runov, A.

    2010-12-01

    A global MHD simulation has been performed to investigate the THEMIS substorm on February 27, 2009. During this substorm the conjugated observations from the space and on the THEMIS ground observatories are available. The location and time of this substorm onset can be determined based on these observations. The initial auroral brightening is found at around 07:49 UT in the field of view of Fort Smith station (FSMI), with a pre-existing auroral arc located equatorward. A couple minutes later, the in situ observations recorded a sharp dipolarization front sunward passing through THEMIS spacecraft, which travels almost 10 RE in the magnetotail. In this study our global MHD model, i.e., OpenGGCM, driven by the real-time solar wind/IMF conditions, is able to reproduce the key features of these substorm signatures, including the auroral breakup at FSMI with the same onset time as the observations, and a strong earthward Bursty Bulk Flow (BBF) and dipolarization fronts that cause the substorm onset signatures. It is found in the simulation that the auroral breakup is caused by the strong flow shear and the flow vortices which form as the BBF moves earthward. Investigation of the tail BBF and its dipolarization front (DF) reveals that the bipolar change of the Bz component ahead of the DF can be produced by the interaction between two distinct plasmas from separate X lines: the anti-sunward moving southward flux tubes in the tailward flows emanating from an inner magnetic reconnection region, and the sunward traveling dipolarized tubes within the front of a strong earthward BBF that originates in a mid-tail reconnection region. The rebound and oscillations of the intruding BBF reported by the recent THEMIS observations are also seen in the simulation when the BBF encounters the high-pressure inner magnetosphere.

  12. Breathing dynamics of a trapped impurity in a dipolar Bose gas

    NASA Astrophysics Data System (ADS)

    Hu, Fang-Qi; Xue, Ju-Kui

    2014-09-01

    With the consideration of impurity-bosons coupling and dipole-dipole interactions (DDI), we study the breathing dynamics of a harmonically trapped impurity interacting with a separately trapped background of dipolar Bose gas. By using the variational approach, the breathing equations, the breathing frequencies and the effective potentials governing the breathing dynamics of the impurity in dipolar gas are obtained. The effects of DDI, impurity-bosons interaction and external trapping potentials on breathing dynamics of impurity are discussed. We find that, because of the anisotropic and long-range characters of DDI, the effects of DDI, impurity-bosons interaction and external trapping potentials on breathing dynamics of impurity are strongly coupled. DDI has significant modification on dynamics, which depends on the external trapping potentials. For spherically symmetric external trapping, DDI makes the impurity more cigar-shaped along axial direction and the breathing oscillation in radial direction is suppressed by DDI. However, the effect of DDI on the breathing dynamics is weakened for cigar-shaped external trapping. Interestingly, for strong external pancake-shaped trapping, the symmetries of the breathing dynamics with respect to attractive and repulsive impurity-bosons coupling recover. Especially, for some critical value of impurity-bosons coupling, the breathing dynamics undergo a sudden quench.

  13. Did the Moon have a dipolar field?

    NASA Astrophysics Data System (ADS)

    Boutin, D.; Arkani-Hamed, J.

    2012-12-01

    Did the Moon have a dipolar core field? Daniel Boutin1 (dboutin003@sympatico.ca) Jafar Arkani-Hamed2 (jafar@physics.utoronto.ca) 1Earth and Planetary Sciences, McGill University, Montreal, QC, H3A-2A7, Canada 2Physics, University of Toronto, Toronto, ON M5S 1A7, Canada The lack of a global scale magnetic field at present and the observed strong magnetic anomalies of the Moon suggest that the magnetic source bodies have been magnetized in the past. The origin of the magnetizing field is poorly understood. Several scenarios have been proposed including a strong core dynamo [1] and the external origin due to giant impacts such as the enhancement of an existing weak field by impact-generated plasmas or a transient field possibly generated during the impacts [2,3]. It is also possible that the existing field was not very strong but the source bodies are highly magnetic [4]. Here we test the hypothesis that the magnetizing field was of internal origin using two sets of data: the 150 degree spherical harmonic representation of the lunar crustal field by Purucker [5] and the raw magnetic data acquired by the Lunar Prospector magnetometer. Although 17 isolated magnetic anomalies are easily identified on the basis of the spherical harmonic representation, we model only 10 anomalies because of the lack of sufficient raw data over others. The isolated magnetic anomalies allow us to model each anomaly by a simple uniformly magnetized elliptical source body. We model the radial component of the magnetic field following the procedure adopted by Boutin and Arkani-Hamed [6] for the martian magnetic anomalies, and determine the three components of the magnetization vector. Seven out of 10 anomalies result in consistent source bodies obtained using the two sets of data. Assuming that each of the source bodies is magnetized by a dipole core field, the paleomagnetic pole of the Moon is determined on the basis of the corresponding magnetization vector. The resulting paleomagnetic pole

  14. Incommensurability Effects on Dipolar Bosons in Optical Lattices

    NASA Astrophysics Data System (ADS)

    Cinti, Fabio

    2016-03-01

    We present a study that investigated a quantum dipolar gas in continuous space where a potential lattice was imposed. Employing exact quantum Monte Carlo techniques, we analysed the ground-state properties of the scrutinised system, varying the lattice depth and the dipolar interaction. For system densities corresponding to a commensurate filling with respect to the optical lattice, we observed a simple crystal-to-superfluid quantum phase transition, being consistent with the physics of dipolar bosons in continuous space. In contrast, an incommensurate density showed the presence of a supersolid phase. Indeed, such a result opens up the tempting opportunity to observe a defect-induced supersolidity with dipolar gases in combination with a tunable optical lattice. Finally, the stability of the condensate was analysed at finite temperature.

  15. Landau damping in a collisionless dipolar Bose gas

    NASA Astrophysics Data System (ADS)

    Natu, Stefan S.; Wilson, Ryan M.

    2013-12-01

    We present a theory for the Landau damping of low-energy quasiparticles in a collisionless, quasi-two-dimensional dipolar Bose gas and produce expressions for the damping rate in uniform and nonuniform systems. Using simple energy-momentum conservation arguments, we show that in the homogeneous system, the nature of the low-energy dispersion in a dipolar Bose gas severely inhibits Landau damping of long wavelength excitations. For a gas with contact and dipolar interactions, the damping rate for phonons tends to decrease with increasing dipolar interactions; for strong dipole-dipole interactions, phonons are virtually undamped over a broad range of temperature. The damping rate for maxon-roton excitations is found to be significantly larger than the damping rate for phonons.

  16. Unconventional symmetries of Fermi liquid and Cooper pairing properties with electric and magnetic dipolar fermions

    NASA Astrophysics Data System (ADS)

    Li, Yi; Wu, Congjun

    2014-12-01

    The rapid experimental progress of ultra-cold dipolar fermions opens up a whole new opportunity to investigate novel many-body physics of fermions. In this article, we review theoretical studies of the Fermi liquid theory and Cooper pairing instabilities of both electric and magnetic dipolar fermionic systems from the perspective of unconventional symmetries. When the electric dipole moments are aligned by the external electric field, their interactions exhibit the explicit dr^2-3z^2 anisotropy. The Fermi liquid properties, including the single-particle spectra, thermodynamic susceptibilities and collective excitations, are all affected by this anisotropy. The electric dipolar interaction provides a mechanism for the unconventional spin triplet Cooper pairing, which is different from the usual spin-fluctuation mechanism in solids and the superfluid 3He. Furthermore, the competition between pairing instabilities in the singlet and triplet channels gives rise to a novel time-reversal symmetry breaking superfluid state. Unlike electric dipole moments which are induced by electric fields and unquantized, magnetic dipole moments are intrinsic proportional to the hyperfine-spin operators with a Lande factor. Its effects even manifest in unpolarized systems exhibiting an isotropic but spin-orbit coupled nature. The resultant spin-orbit coupled Fermi liquid theory supports a collective sound mode exhibiting a topologically non-trivial spin distribution over the Fermi surface. It also leads to a novel p-wave spin triplet Cooper pairing state whose spin and orbital angular momentum are entangled to the total angular momentum J = 1 dubbed the J-triplet pairing. This J-triplet pairing phase is different from both the spin-orbit coupled 3He-B phase with J = 0 and the spin-orbit decoupled 3He-A phase.

  17. Unconventional symmetries of Fermi liquid and Cooper pairing properties with electric and magnetic dipolar fermions.

    PubMed

    Li, Yi; Wu, Congjun

    2014-12-10

    The rapid experimental progress of ultra-cold dipolar fermions opens up a whole new opportunity to investigate novel many-body physics of fermions. In this article, we review theoretical studies of the Fermi liquid theory and Cooper pairing instabilities of both electric and magnetic dipolar fermionic systems from the perspective of unconventional symmetries. When the electric dipole moments are aligned by the external electric field, their interactions exhibit the explicit d(r(2)-3z(2)) anisotropy. The Fermi liquid properties, including the single-particle spectra, thermodynamic susceptibilities and collective excitations, are all affected by this anisotropy. The electric dipolar interaction provides a mechanism for the unconventional spin triplet Cooper pairing, which is different from the usual spin-fluctuation mechanism in solids and the superfluid (3)He. Furthermore, the competition between pairing instabilities in the singlet and triplet channels gives rise to a novel time-reversal symmetry breaking superfluid state. Unlike electric dipole moments which are induced by electric fields and unquantized, magnetic dipole moments are intrinsic proportional to the hyperfine-spin operators with a Lande factor. Its effects even manifest in unpolarized systems exhibiting an isotropic but spin-orbit coupled nature. The resultant spin-orbit coupled Fermi liquid theory supports a collective sound mode exhibiting a topologically non-trivial spin distribution over the Fermi surface. It also leads to a novel p-wave spin triplet Cooper pairing state whose spin and orbital angular momentum are entangled to the total angular momentum J = 1 dubbed the J-triplet pairing. This J-triplet pairing phase is different from both the spin-orbit coupled (3)He-B phase with J = 0 and the spin-orbit decoupled (3)He-A phase. PMID:25401291

  18. Dipolar vortices and collisional instability in rotating electron-positron-ion plasmas

    SciTech Connect

    Haque, Q.

    2011-11-15

    Linear dispersion relation of electrostatic waves is derived for rotating electron-positron-ion (e-p-i) plasmas. The role of the rotational plasma frequency on drift wave through Coriolis force in the pulsar magnetosphere is discussed. This wave can couple with acoustic mode. In the nonlinear regime, stationary solution in the form of dipolar vortices is obtained. At the end we have also found the collisional instability in the presence of neutral-ion collisions for this rotating e-p-i plasma. The importance of the study with respect to astrophysical plasmas is also pointed out.

  19. Magneto-optical control of atomic spin mixing in dipolar spinor Bose-Einstein condensates

    SciTech Connect

    Jing, H.; Jiang, Y.; Meystre, P.

    2009-12-15

    We study the role in an external photoassociation light field in the spin mixing dynamics of a spin-one Bose condensate with long-range magnetic dipole-dipole interaction. The mean-field energy functional of the system is found to be formally identical to that of two coupled nonrigid pendulums, manifesting either constructive or destructive interferences. The interplay between photoassociation and the magnetic dipole-dipole interaction provides a novel route to the magneto-optical quantum control of atomic spin mixing in dipolar spinor condensates.

  20. Exact analytical soliton solutions in dipolar Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Andreev, Pavel A.; Kuz'menkov, Leonid S.

    2014-09-01

    By applying the full potentials of the electric dipole interaction and the magnetic dipole interaction, and making corrections, we generalise the existing theory of dipolar Bose-Einstein condensates (BECs) with aligned dipoles, achieving a correct description of the dipole-dipole interactions. We show that the corrected theory is different for the electric and magnetic dipoles of BECs and can be presented in a local (non-integral) form. We apply our model to recapture fundamental results for linear and nonlinear waves in dipolar BECs. The bright, dark and grey solitons are well-known soliton solutions of the Gross-Pitaevskii equation for the attractive and repulsive BECs. We consider solitons in the dipolar BECs of the fully polarised particles, including both the magnetised and electrically polarised BECs. We show that these two kinds of dipolar BECs show different behavior in their collective excitations. This is related to the fact that the electric and the magnetic fields of the BECs satisfy different pairs of the Maxwell equations. Thus we consider the magnetic and electric dipolar BECs independently. We obtain the exact analytical solutions for the bright, dark, and grey solitons in the magnetised (electrically polarised) BECs when they propagate parallel and perpendicular to an external magnetic (or electric) field. Comparison of the spectrum of the linear collective excitations for the two kinds of the dipolar BECs is presented as well.

  1. Evaporative cooling of the dipolar hydroxyl radical.

    PubMed

    Stuhl, Benjamin K; Hummon, Matthew T; Yeo, Mark; Quéméner, Goulven; Bohn, John L; Ye, Jun

    2012-12-20

    Atomic physics was revolutionized by the development of forced evaporative cooling, which led directly to the observation of Bose-Einstein condensation, quantum-degenerate Fermi gases and ultracold optical lattice simulations of condensed-matter phenomena. More recently, substantial progress has been made in the production of cold molecular gases. Their permanent electric dipole moment is expected to generate systems with varied and controllable phases, dynamics and chemistry. However, although advances have been made in both direct cooling and cold-association techniques, evaporative cooling has not been achieved so far. This is due to unfavourable ratios of elastic to inelastic scattering and impractically slow thermalization rates in the available trapped species. Here we report the observation of microwave-forced evaporative cooling of neutral hydroxyl (OH(•)) molecules loaded from a Stark-decelerated beam into an extremely high-gradient magnetic quadrupole trap. We demonstrate cooling by at least one order of magnitude in temperature, and a corresponding increase in phase-space density by three orders of magnitude, limited only by the low-temperature sensitivity of our spectroscopic thermometry technique. With evaporative cooling and a sufficiently large initial population, much colder temperatures are possible; even a quantum-degenerate gas of this dipolar radical (or anything else it can sympathetically cool) may be within reach. PMID:23257881

  2. Self-replication with magnetic dipolar colloids

    NASA Astrophysics Data System (ADS)

    Dempster, Joshua M.; Zhang, Rui; Olvera de la Cruz, Monica

    2015-10-01

    Colloidal self-replication represents an exciting research frontier in soft matter physics. Currently, all reported self-replication schemes involve coating colloidal particles with stimuli-responsive molecules to allow switchable interactions. In this paper, we introduce a scheme using ferromagnetic dipolar colloids and preprogrammed external magnetic fields to create an autonomous self-replication system. Interparticle dipole-dipole forces and periodically varying weak-strong magnetic fields cooperate to drive colloid monomers from the solute onto templates, bind them into replicas, and dissolve template complexes. We present three general design principles for autonomous linear replicators, derived from a focused study of a minimalist sphere-dimer magnetic system in which single binding sites allow formation of dimeric templates. We show via statistical models and computer simulations that our system exhibits nonlinear growth of templates and produces nearly exponential growth (low error rate) upon adding an optimized competing electrostatic potential. We devise experimental strategies for constructing the required magnetic colloids based on documented laboratory techniques. We also present qualitative ideas about building more complex self-replicating structures utilizing magnetic colloids.

  3. Self-replication with magnetic dipolar colloids.

    PubMed

    Dempster, Joshua M; Zhang, Rui; Olvera de la Cruz, Monica

    2015-10-01

    Colloidal self-replication represents an exciting research frontier in soft matter physics. Currently, all reported self-replication schemes involve coating colloidal particles with stimuli-responsive molecules to allow switchable interactions. In this paper, we introduce a scheme using ferromagnetic dipolar colloids and preprogrammed external magnetic fields to create an autonomous self-replication system. Interparticle dipole-dipole forces and periodically varying weak-strong magnetic fields cooperate to drive colloid monomers from the solute onto templates, bind them into replicas, and dissolve template complexes. We present three general design principles for autonomous linear replicators, derived from a focused study of a minimalist sphere-dimer magnetic system in which single binding sites allow formation of dimeric templates. We show via statistical models and computer simulations that our system exhibits nonlinear growth of templates and produces nearly exponential growth (low error rate) upon adding an optimized competing electrostatic potential. We devise experimental strategies for constructing the required magnetic colloids based on documented laboratory techniques. We also present qualitative ideas about building more complex self-replicating structures utilizing magnetic colloids. PMID:26565238

  4. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    SciTech Connect

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-15

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler–Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the “pair amplitude” √(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow–Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree–Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation–dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density–density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: •We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. •We have calculated the effective inter-particle interaction and the dynamical density–density response function. •We have shown that an undamped zero sound mode exists at any value of the interaction strength.

  5. Stokes shift dynamics in (non-dipolar ionic liquid + dipolar solvent) binary mixtures: A semi-molecular theory

    NASA Astrophysics Data System (ADS)

    Pal, Tamisra; Biswas, Ranjit

    2014-10-01

    A semi-molecular theory for studying composition dependent Stokes shift dynamics of a dipolar solute in binary mixtures of (non-dipolar ionic liquid + common dipolar solvent) is developed here. The theory provides microscopic expressions for solvation response functions in terms of static and dynamic structure factors of the mixture components and solute-solvent static correlations. In addition, the theory provides a framework for examining the interrelationship between the time dependent solvation response in and frequency dependent dielectric relaxation of a binary mixture containing electrolyte. Subsequently, the theory has been applied to predict ionic liquid (IL) mole fraction dependent dynamic Stokes shift magnitude and solvation energy relaxation for a dipolar solute, C153, in binary mixtures of an ionic liquid, trihexyltetradecylphosphonium chloride ([P14,666][Cl]) with a common dipolar solvent, methanol (MeOH). In the absence of suitable experimental data, necessary input parameters have been obtained from approximate methods. Dynamic shifts calculated for these mixtures exhibit a linear increase with IL mole fraction for the most part of the mixture composition, stressing the importance of solute-IL dipole-ion interaction. Average solvation rates, on the other hand, show a nonlinear IL mole fraction dependence which is qualitatively similar to what has been observed for such binary mixtures with imidazolium (dipolar) ILs. These predictions should be re-examined in suitable experiments.

  6. Observations and Effects of Dipolarization Fronts Observed in Earth's Magnetotail

    NASA Technical Reports Server (NTRS)

    Goldstein, Melvyn L.

    2011-01-01

    Dipolarization fronts in Earth's magnetotail are characterized by sharp jumps in magnetic field, a drop in density, and often follow earthward fast plasma flow. They are commonly detected near the equatorial plane of Earth s tail plasma sheet. Sometimes, but not always, dipolarization fronts are associated with global substorms and auroral brightenings. Both Cluster, THEMIS, and other spacecraft have detected dipolarization fronts in a variety of locations in the magnetotail. Using multi-spacecraft analyses together with simulations, we have investigated the propagation and evolution of some dipolarization events. We have also investigated the acceleration of electrons and ions that results from such magnetic-field changes. In some situations, the velocities of fast earthward flows are comparable to the Alfven speed, indicating that the flow bursts might have been generated by bursty reconnection that occurred tailward of the spacecraft. Based on multi-spacecraft timing analysis, dipolarization fronts are found to propagate mainly earthward at 160-335 km/s and have thicknesses of 900-1500 km, which corresponds to the ion inertial length or gyroradius scale. Following the passage of dipolarization fronts, significant fluctuations are observed in the x and y components of the magnetic field. These peaks in the magnetic field come approximately 1-2 minutes after passage of the dipolarization front. These Bx and By fluctuations propagate primarily dawnward and earthward. Field-aligned electron beams are observed coincident with those magnetic field fluctuations. Non-Maxwellian electron and ion distributions are observed that are associated with the dipolarization that may be unstable to a range of electrostatic and/or whistler instabilities. Enhanced electrostatic broadband noise at frequencies below and near the lower-hybrid frequency is also observed at or very close to these fronts. This broadband noise is thought to play a role in further energizing the particles

  7. Cluster Observations of Multiple Dipolarization Fronts

    NASA Technical Reports Server (NTRS)

    Hwang, Kyoung-Joo; Goldstein, Melvyn L.; Lee, Ensang; Pickett, Jolene S.

    2011-01-01

    We present Cluster observations of a series of dipolarization fronts (DF 1 to 6) at the central current sheet in Earth's magnetotail. The velocities of fast earthward flow following behind each DF 1-3, are comparable to the Alfven velocity, indicating that the flow bursts might have been generated by bursty reconnection that occurred tailward of the spacecraft. Based on multi-spacecraft timing analysis, DF normals are found to propagate mainly earthward at $160-335$ km/s with a thickness of 900-1500 km, which corresponds to the ion inertial length or gyroradius scale. Each DF is followed by significant fluctuations in the $x$ and $y$ components of the magnetic field whose peaks are found 1-2 minutes after the DF passage. These $(B_{x},B_{y} )$-fluctuations propagate dawnward (mainly) and earthward. Strongly enhanced field-aligned beams are observed coincidently with $(B_{x},B_{y})$ fluctuations, while an enhancement of cross-tail currents is associated with the DFs. From the observed pressure imbalance and flux-tube entropy changes between the two regions separated by the DF, we speculate that interchange instability destabilizes the DFs and causes the deformation of the mid-tail magnetic topology. This process generates significant field-aligned currents, and might power the auroral brightening in the ionosphere. However, this event is neither associated with the main substorm auroral breakup nor the poleward expansion, which might indicate that the observed multiple DFs have been dissipated before they reach the inner plasma sheet boundary.

  8. Cluster Observations of Multiple Dipolarization Fronts

    NASA Technical Reports Server (NTRS)

    Hwang, K.-J.; Goldstein, M. L.; Lee, E.; Pickett, J. S.

    2011-01-01

    We present Cluster observations of a series of dipolarization fronts (DF 1 to 6) at the central current sheet in Earth's magnetotail. The velocities of fast earthward flow following behind each DF 1.3 are comparable to the Alfven velocity, indicating that the flow bursts might have been generated by bursty reconnection that occurred tailward of the spacecraft. Based on multispacecraft timing analysis, DF normals are found to propagate mainly earthward at 160.335 km/s with a thickness of 900-1500 km, which corresponds to the ion inertial length or gyroradius scale. Each DF is followed by significant fluctuations in the x and y components of the magnetic field whose peaks are found 1.2 min after the DF passage. These (B(sub x), B(sub y)) fluctuations propagate dawnward (mainly) and earthward. Strongly enhanced field-aligned beams are observed coincidently with (B(sub x), B(sub y)) fluctuations, while an enhancement of cross-tail currents is associated with the DFs. From the observed pressure imbalance and flux tube entropy changes between the two regions separated by the DF, we speculate that interchange instability destabilizes the DFs and causes the deformation of the midtail magnetic topology. This process generates significant field-aligned currents and might power the auroral brightening in the ionosphere. However, this event is associated with neither the main substorm auroral breakup nor the poleward expansion, which might indicate that the observed multiple DFs have been dissipated before they reach the inner plasma sheet boundary.

  9. Jet Dipolarity: Top Tagging with Color Flow

    SciTech Connect

    Hook, Anson; Jankowiak, Martin; Wacker, Jay G.; /SLAC

    2011-08-12

    A new jet observable, dipolarity, is introduced that can distinguish whether a pair of subjets arises from a color singlet source. This observable is incorporated into the HEPTopTagger and is shown to improve discrimination between top jets and QCD jets for moderate to high p{sub T}. The impressive resolution of the ATLAS and CMS detectors means that a typical QCD jet at the LHC deposits energy in {Omicron}(10-100) calorimeter cells. Such fine-grained calorimetry allows for jets to be studied in much greater detail than previously, with sophisticated versions of current techniques making it possible to measure more than just the bulk properties of jets (e.g. event jet multiplicities or jet masses). One goal of the LHC is to employ these techniques to extend the amount of information available from each jet, allowing for a broader probe of the properties of QCD. The past several years have seen significant progress in developing such jet substructure techniques. A number of general purpose tools have been developed, including: (i) top-tagging algorithms designed for use at both lower and higher p{sub T} as well as (ii) jet grooming techniques such as filtering, pruning, and trimming, which are designed to improve jet mass resolution. Jet substructure techniques have also been studied in the context of specific particle searches, where they have been shown to substantially extend the reach of traditional search techniques in a wide variety of scenarios, including for example boosted Higgses, neutral spin-one resonances, searches for supersymmetry, and many others. Despite these many successes, however, there is every reason to expect that there remains room for refinement of jet substructure techniques.

  10. Probing 1D super-strongly correlated dipolar quantum gases

    NASA Astrophysics Data System (ADS)

    Citro, R.; de Palo, S.; Orignac, E.; Pedri, P.; Chiofalo, M.-L.

    2009-04-01

    One-dimensional (1D) dipolar quantum gases are characterized by a very special condition where super-strong correlations occur to significantly affect the static and dynamical low-energy behavior. This behavior is accurately described by the Luttinger Liquid theory with parameter K < 1. Dipolar Bose gases are routinely studied in laboratory with Chromium atoms. On the other hand, 1D realizations with molecular quantum gases can be at reach of current experimental expertises, allowing to explore such extreme quantum degenerate conditions which are the bottom line for designing technological devices. Aim of the present contribution is to focus on the possible probes expected to signal the reach of Luttinger-Liquid behavior in 1D dipolar gases.

  11. Flow effects in long-range dipolar field MRI

    NASA Astrophysics Data System (ADS)

    Loureiro de Sousa, Paulo; Gounot, Daniel; Grucker, Daniel

    2003-06-01

    Incoherent spin motion, such as diffusion, can lead to significant signal loss in multiple spin echoes (MSE) experiments, sometimes to its complete extinction. Coherent spin motion, such as laminar flow, can also modify the magnetization in MSE imaging and yield additional contrast. Our experimental results indicate that MSE is flow-sensitive. Our theoretical analysis and experimental results show how the effect of the distant dipolar field can be annihilated by flow. This effect can be quantified by directly solving the nonlinear Bloch equation, taking into account the deformation of the dipolar field by motion. Unexpected results have been observed, such as a recovery of the dipolar interaction due to flow in the "magic angle" condition.

  12. Weyl superfluidity in a three-dimensional dipolar Fermi gas.

    PubMed

    Liu, Bo; Li, Xiaopeng; Yin, Lan; Liu, W Vincent

    2015-01-30

    Weyl superconductivity or superfluidity, a fascinating topological state of matter, features novel phenomena such as emergent Weyl fermionic excitations and anomalies. Here we report that an anisotropic Weyl superfluid state can arise as a low temperature stable phase in a 3D dipolar Fermi gas. A crucial ingredient of our model is a direction-dependent two-body effective attraction generated by a rotating external field. Experimental signatures are predicted for cold gases in radio-frequency spectroscopy. The finite temperature phase diagram of this system is studied and the transition temperature of the Weyl superfluidity is found to be within the experimental scope for atomic dipolar Fermi gases. PMID:25679898

  13. Order parameter in complex dipolar structures: Microscopic modeling

    NASA Astrophysics Data System (ADS)

    Prosandeev, S.; Bellaiche, L.

    2008-02-01

    Microscopic models have been used to reveal the existence of an order parameter that is associated with many complex dipolar structures in magnets and ferroelectrics. This order parameter involves a double cross product of the local dipoles with their positions. It provides a measure of subtle microscopic features, such as the helicity of the two domains inherent to onion states, curvature of the dipolar pattern in flower states, or characteristics of sets of vortices with opposite chirality (e.g., distance between the vortex centers and/or the magnitude of their local dipoles).

  14. Realizing dipolar spin models with arrays of superconducting qubits

    NASA Astrophysics Data System (ADS)

    Dalmonte, M.; Mirzaei, S. I.; Muppalla, P. R.; Marcos, D.; Zoller, P.; Kirchmair, G.

    2015-11-01

    We propose a platform for quantum many body simulations of dipolar spin models using current circuit QED technology. Our basic building blocks are 3D transmon qubits where we use the naturally occurring dipolar interactions to realize interacting spin systems. This opens the way toward the realization of a broad class of tunable spin models in both two- and one-dimensional geometries. We illustrate the potential offered by these systems in the context of dimerized Majumdar-Ghosh-type phases, archetypical examples of quantum magnetism, showing how such phases are robust against disorder and decoherence and could be observed within state-of-the-art experiments.

  15. All-Optical Scheme to Produce Quantum Degenerate Dipolar Molecules in the Vibronic Ground State

    NASA Astrophysics Data System (ADS)

    Mackie, Matt; Debrosse, Catherine

    2010-03-01

    We consider two-color heteronuclear photoassociation of Bose-condensed atoms into dipolar molecules in the J=1 vibronic ground state, where a free-ground laser couples atoms directly to the ground state and a free-bound laser couples the atoms to an electronically-excited state. The addition of the excited state creates a second pathway for creating ground state molecules, leading to quantum interference between direct photoassociation and photoassociation via the excited molecular state, as well as a dispersive-like shift of the free-ground resonance position. Using LiNa as an example, these results are shown to depend on the detuning and intensity of the free-bound laser, as well as the semi-classical size of both molecular states. Despite strong enhancement, coherent conversion to the LiNa vibronic ground state is possible only in a limited regime near the free-bound resonance.

  16. Anisotropic superfluidity in a dipolar Bose gas

    SciTech Connect

    Ticknor, Christopher; Wilson, Ryan M; Bohn, John L

    2010-11-04

    A quintessential feature of superfluidity is the ability to support dissipationless flow, for example, when an object moves through a superfluid and experiences no drag. This, however, only occurs when the object is moving below a certain critical velocity; when it exceeds this critical velocity it dissipates energy into excitations of the superfluid, resulting in a net drag force on the object and the breakdown of superfluid flow. In many superfluids, such as dilute Bose-Einstein condensates (BECs) of atoms with contact interactions, this critical velocity is simply the speed of sound in the system, where the speed of sound is set by the density and the s-wave scattering length of the atoms. However, for other superfluids, such as liquid {sup 4}He, this is not the case. In {sup 4}He, the critical velocity is set by a roton mode, corresponding to a peak in the static structure factor of the system at some finite, non-zero momentum, with a characteristic velocity that is considerably less than the speed of sound in the liquid. This feature has been verified experimentally via measurements of ion-drift velocity in the fluid, thereby providing insight into the detailed structure of the system. Interestingly, a roton-like feature was predicted to exist in the dispersion relation of a quasi-two-dimensional (q2D) dipolar BEC (DBEC) [16], or a BEC with dipole-dipole interactions. However, unlike the dispersion of {sup 4}He, the disperSion of a DBEC is highly tunable as a function of the condensate density or dipole-dipole interaction (ddi) strength. Additionally, the DBEC is set apart from liquid {sup 4}He in that its interactions depend on how the dipoles are oriented in space. Thus, the DBEC provides an ideal system to study the effects that anisotropies have on the bulk properties of a superfluid, such as the critical velocity. Here we consider a DBEC in a quasi-two-dimensional (q2D) geometry and allow for the dipoles to be polarized at a nonzero angle into the plane

  17. Dipolar Vortices and Dark Solitons in Quantum Ferrofluids

    NASA Astrophysics Data System (ADS)

    Parker, Nick; Bland, Thomas; Edmonds, Matthew; Proukakis, Nick; Martin, Andrew; O'Dell, Duncan

    2016-05-01

    The experimental achievement of Bose-condensed gases of atoms with large magnetic dipole moments has realized a quantum ferrofluid, which combines both superfluid and ferrofluid properties. Here the conventional isotropic and short-range atom-atom interactions become supplemented by long-range and anisotropic dipolar interactions, enriching the physical properties of the system. Here we discuss how the dipolar interactions modify quantized vortices, the fundamental nonlinear excitations of superfluids in two and three dimensions. As well as distorting the vortex profile, the dipolar interactions cause each vortex to approximate a macroscopic dipole; the vortex-vortex interaction then develops a novel anisotropic and long-range contribution. This is shown to significantly modify the two-vortex dynamics, and has implications for multi-vortex states. We also extend our analysis to dark solitons, the one-dimensional analogs of vortices, where dipolar interactions support unconventional dark soliton bound states. This work was supported by the Engineering and Physical Sciences Research Council of the UK (Grant No. EP/M005127/1).

  18. Effect of simple solutes on the long range dipolar correlations in liquid water

    NASA Astrophysics Data System (ADS)

    Baul, Upayan; Kanth, J. Maruthi Pradeep; Anishetty, Ramesh; Vemparala, Satyavani

    2016-03-01

    Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl2) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH4) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect.

  19. Self-organization of magnetic moments in dipolar chains with restricted degrees of freedom

    NASA Astrophysics Data System (ADS)

    Pshenichnikov, Alexander F.; Kuznetsov, Andrey A.

    2015-10-01

    Equilibrium behavior of a single chain of dipolar spheres is investigated by the method of molecular dynamics in a wide range of the dipolar coupling constant λ . Two cases are considered: rodlike and flexible chains. In the first case, particle centers are immovably fixed on one axis, but their magnetic moments retain absolute orientational freedom. It has been found that at λ ≳1.5 particle moments are chiefly aligned parallel to the chain axis, but the total moment of the chain continuously changes its sign with some mean frequency, which exponentially decreases with the growth of λ . Such behavior of the rodlike chain is analogous to the Néel relaxation of a superparamagnetic particle with a finite energy of magnetic anisotropy. In the flexible chain particles are able to move in the three-dimensional space, but the distance between centers of the first-nearest neighbors never exceeds a given limiting value rmax. If rmax≃d (d is the particle diameter) then the most probable shape of the chain of five or more particles at λ ≳6 is that of a ring. The behavior of chains with rmax≥2 d is qualitatively different: At λ ≃4 long chains collapse into dense quasispherical globules and at λ ≳8 these globules take toroidal configuration with a spontaneous azimuthal ordering of magnetic dipoles. With the increase of rmax to larger values (rmax>10 d ) globules expand and break down to form separate rings.

  20. Effect of simple solutes on the long range dipolar correlations in liquid water.

    PubMed

    Baul, Upayan; Kanth, J Maruthi Pradeep; Anishetty, Ramesh; Vemparala, Satyavani

    2016-03-14

    Intermolecular correlations in liquid water at ambient conditions have generally been characterized through short range density fluctuations described through the atomic pair distribution functions. Recent numerical and experimental results have suggested that such a description of order or structure in liquid water is incomplete and there exist considerably longer ranged orientational correlations in water that can be studied through dipolar correlations. In this study, using large scale classical, atomistic molecular dynamics simulations using TIP4P-Ew and TIP3P models of water, we show that salts such as sodium chloride (NaCl), potassium chloride (KCl), caesium chloride (CsCl), and magnesium chloride (MgCl2) have a long range effect on the dipolar correlations, which cannot be explained by the notion of structure making and breaking by dissolved ions. Observed effects are explained through orientational stratification of water molecules around ions and their long range coupling to the global hydrogen bond network by virtue of the sum rule for water. The observations for single hydrophilic solutes are contrasted with the same for a single methane (CH4) molecule. We observe that even a single small hydrophobe can result in enhancement of long range orientational correlations in liquid water, contrary to the case of dissolved ions, which have been observed to have a reducing effect. The observations from this study are discussed in the context of hydrophobic effect. PMID:26979692

  1. Deflagration, fronts of tunneling, and dipolar ordering in molecular magnets

    NASA Astrophysics Data System (ADS)

    Garanin, Dmitry

    2011-03-01

    Although there is no exchange interaction in crystals of molecular magnets characterized by a giant effective spin S (S = 10 for Mn 12 , and Fe 8) , magnetic field B (D) generated by magnetic moments g μ B S of magnetic molecules creates energy bias W (D) = 2 Sg μ BB (D) on a molecule that largely exceeds the tunnelling splitting Δ of matching quantum states on different sides of the anisotropy barrier. Thus the dipolar field has a profound influence on the processes of tunnelling and relaxation in molecular magnets. Both theoretical and experimental works showed a slow non-exponential relaxation of the magnetization in both initially ordered and completely disordered states since most of the spins are off tunneling resonance at any time. Recently a new mode of relaxation via tunneling has been found, the so-called fronts of tunneling, in which (within a 1 d theoretical model) dipolar field adjusts so that spins are on resonance within the broad front core. In this ``laminar'' regime fronts of tunnelling are moving fast at speeds that can exceed that of the temperature-driven magnetic deflagration, if a sufficiently strong transverse field is applied. However, a ``non-laminar'' regime has also been found in which instability causes spins to go off resonance and the front speed drops. In a combination with magnetic deflagration, the laminar regime becomes more stable and exists in the whole dipolar window 0 <= W <=W (D) on the external bias W , where the deflagration speed strongly increases. Another dipolar effect in molecular magnets is dipolar ordering below 1 K that has recently been shown to be non-uniform because of formation of magnetic domains. An object of current research is possible non-uniformity of magnetic deflagration and tunneling fronts via domain instability that could influence their speed.

  2. Pulse Dipolar ESR and Protein Superstructures and Function

    NASA Astrophysics Data System (ADS)

    Freed, Jack

    2014-03-01

    Pulse dipolar electron-spin resonance (PDS-ESR) has emerged as a powerful methodology for the study of protein structure and function. This technology, in the form of double quantum coherence (DQC) - ESR and double-electron-electron resonance (DEER) in conjunction with site-directed spin-labeling will be described. It enables the measurement of distances and their distributions in the range of 1-9 nm between pairs of spins labeled at two sites in the protein. Many biological objects can be studied: soluble and membrane proteins, protein complexes, etc. Many sample morphologies are possible: uniform, heterogeneous, etc. thereby permitting a variety of sample types: solutions, liposomes, micelles, bicelles. Concentrations from micromolar to tens of millimolar are amenable, requiring only small amounts of biomolecules. The distances are quite accurate, so a relatively small number of them are sufficient to reveal structures and functional details. Several examples will be shown. The first is defining the protein complexes that mediate bacterial chemotaxis, which is the process whereby cells modulate their flagella-driven motility in response to environmental cues. It relies on a complex sensory apparatus composed of transmembrane receptors, histidine kinases, and coupling proteins. PDS-based models have captured key architectural features of the receptor kinase arrays and the flagellar motor, and their changes in conformation and dynamics that accompany kinase activation and motor switching. Another example will be determining the conformational states and cycling of a membrane transporter, GltPh, which is a homotrimer, in its apo, substrate-bound, and inhibitor-bound, states in membrane vesicles providing insight into its energetics. In a third example the structureless (in solution) proteins alpha-synuclein and tau, which are important in Parkinson's disease and in neurodegeneration will be described and the structures they take on in contact with membranes will be

  3. Zero-quantum stochastic dipolar recoupling in solid state nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Qiang, Wei; Tycko, Robert

    2012-09-01

    We present the theoretical description and experimental demonstration of a zero-quantum stochastic dipolar recoupling (ZQ-SDR) technique for solid state nuclear magnetic resonance (NMR) studies of 13C-labeled molecules, including proteins, under magic-angle spinning (MAS). The ZQ-SDR technique combines zero-quantum recoupling pulse sequence blocks with randomly varying chemical shift precession periods to create randomly amplitude- and phase-modulated effective homonuclear magnetic dipole-dipole couplings. To a good approximation, couplings between different 13C spin pairs become uncorrelated under ZQ-SDR, leading to spin dynamics (averaged over many repetitions of the ZQ-SDR sequence) that are fully described by an orientation-dependent N × N polarization transfer rate matrix for an N-spin system, with rates that are inversely proportional to the sixth power of internuclear distances. Suppression of polarization transfers due to non-commutivity of pairwise couplings (i.e., dipolar truncation) does not occur under ZQ-SDR, as we show both analytically and numerically. Experimental demonstrations are reported for uniformly 13C-labeled L-valine powder (at 14.1 T and 28.00 kHz MAS), uniformly 13C-labeled protein GB1 in microcrystalline form (at 17.6 T and 40.00 kHz MAS), and partially labeled 13C-labeled protein GB1 (at 14.1 T and 40.00 kHz MAS). The experimental results verify that spin dynamics under ZQ-SDR are described accurately by rate matrices and suggest the utility of ZQ-SDR in structural studies of 13C-labeled solids.

  4. Stability of a dipolar Bose-Einstein condensate in a one-dimensional lattice

    SciTech Connect

    Mueller, S.; Billy, J.; Henn, E. A. L.; Kadau, H.; Griesmaier, A.; Pfau, T.; Jona-Lasinio, M.; Santos, L.

    2011-11-15

    We show that in contrast with contact interacting gases, an optical lattice changes drastically the stability properties of a dipolar condensate, inducing a crossover from dipolar destabilization to dipolar stabilization for increasing lattice depths. Performing stability measurements on a {sup 52}Cr Bose-Einstein condensate in an interaction-dominated regime, repulsive dipolar interaction balances negative scattering lengths down to -17 Bohr radii. Our findings are in excellent agreement with mean-field calculations, revealing the important destabilizing role played by intersite dipolar interactions in deep lattices.

  5. Spin configuration of magnetic multi-layers: effect of exchange, dipolar and Dzyalozhinski-Moriya interactions.

    PubMed

    Franco, A F; Kachkachi, H

    2013-08-01

    We investigate the effect of coupling (intensity and nature), applied field, and anisotropy on the spin dynamics of a multi-layer system composed of a hard magnetic layer coupled to a soft magnetic layer through a nonmagnetic spacer. The soft layer is modeled as a stack of several atomic planes while the hard layer, of a different material, is either considered as a pinned macroscopic magnetic moment or again as a stack of atomic planes. We compute the magnetization profile and hysteresis loop of the whole multi-layer system by solving the Landau-Lifshitz equations for the net magnetic moment of each (atomic) plane. We study the competition between the intra-layer anisotropy and exchange interaction, applied magnetic field, and the interface exchange, dipolar or Dzyalozhinski-Moriya interaction. Compared with the exchange coupling, the latter two couplings present peculiar features in the magnetization profile and hysteresis loop that may help identify the nature of the interface coupling in multi-layer magnetic systems. PMID:23838366

  6. Competing orders in a dipolar Bose-Fermi mixture on a square optical lattice: mean-field perspective

    NASA Astrophysics Data System (ADS)

    Scaramazza, Jasen A.; Kain, Ben; Ling, Hong Y.

    2016-07-01

    We consider a mixture of a two-component Fermi gas and a single-component dipolar Bose gas in a square optical lattice and reduce it into an effective Fermi system where the Fermi-Fermi interaction includes the attractive interaction induced by the phonons of a uniform dipolar Bose-Einstein condensate. Focusing on this effective Fermi system in the parameter regime that preserves the symmetry of D4, the point group of a square, we explore, within the Hartree-Fock-Bogoliubov mean-field theory, the phase competition among density wave orderings and superfluid pairings. We construct the matrix representation of the linearized gap equation in the irreducible representations of D4. We show that in the weak coupling regime, each matrix element, which is a four-dimensional (4D) integral in momentum space, can be put in a separable form involving a 1D integral, which is only a function of temperature and the chemical potential, and a pairing-specific "effective" interaction, which is an analytical function of the parameters that characterize the Fermi-Fermi interactions in our system. We analyze the critical temperatures of various competing orders as functions of different system parameters in both the absence and presence of the dipolar interaction. We find that close to half filling, the dx2 - y2-wave pairing with a critical temperature in the order of a fraction of Fermi energy (at half filling) may dominate all other phases, and at a higher filling factor, the p-wave pairing with a critical temperature in the order of a hundredth of Fermi energy may emerge as a winner. We find that tuning a dipolar interaction can dramatically enhance the pairings with dxy- and g-wave symmetries but not enough for them to dominate other competing phases.

  7. Lifshitz transitions and crystallization of fully polarized dipolar fermions in an anisotropic two-dimensional lattice

    SciTech Connect

    Carr, Sam T.; Quintanilla, Jorge; Betouras, Joseph J.

    2010-07-15

    We consider a two-dimensional model of noninteracting chains of spinless fermions weakly coupled via a small interchain hopping and a repulsive interchain interaction. The phase diagram of this model has a surprising feature: an abrupt change in the Fermi surface as the interaction is increased. We study in detail this metanematic transition and show that the well-known 2(1/2)-order Lifshitz transition is the critical end point of this first-order quantum phase transition. Furthermore, in the vicinity of the end point, the order parameter has a nonperturbative BCS-type form. We also study a competing crystallization transition in this model and derive the full phase diagram. This physics can be demonstrated experimentally in dipolar ultracold atomic or molecular gases. In the presence of a harmonic trap, it manifests itself as a sharp jump in the density profile.

  8. Observation of Anomolously Long-Lived Spin Echoes in a Dense Dipolar Spin System

    NASA Astrophysics Data System (ADS)

    Ramos, Rona; Dong, Yanqun; Li, Dale; Barrett, Sean

    2006-03-01

    Continuing the investigation of anomolously long-lived spin echoes found in multipulse ^29Si NMR experiments, similar proton NMR experiments were performed on adamantane (C10H16, a molecular solid that tumbles about its fcc lattice sites). In contrast to the dilute dipolar silicon samples from previous experiments [A.E. Dementyev, D. Li, K. MacLean, S.E. Barrett, Phys. Rev. B 68, 153302 (2003).], adamantane presents a densely populated, strongly coupled proton spin system in which to probe the basis of this puzzle. Despite these changes, this phenomenon, which defies conventional NMR theory, still remains. This talk will discuss the results of these experiments and its impact on our current understanding of this behavior.

  9. Asynchronous symmetry-based sequences for homonuclear dipolar recoupling in solid-state nuclear magnetic resonance

    SciTech Connect

    Tan, Kong Ooi; Ernst, Matthias E-mail: maer@ethz.ch; Rajeswari, M.; Madhu, P. K. E-mail: maer@ethz.ch

    2015-02-14

    We show a theoretical framework, based on triple-mode Floquet theory, to analyze recoupling sequences derived from symmetry-based pulse sequences, which have a non-vanishing effective field and are not rotor synchronized. We analyze the properties of one such sequence, a homonuclear double-quantum recoupling sequence derived from the C7{sub 2}{sup 1} sequence. The new asynchronous sequence outperforms the rotor-synchronized version for spin pairs with small dipolar couplings in the presence of large chemical-shift anisotropy. The resonance condition of the new sequence is analyzed using triple-mode Floquet theory. Analytical calculations of second-order effective Hamiltonian are performed to compare the efficiency in suppressing second-order cross terms. Experiments and numerical simulations are shown to corroborate the results of the theoretical analysis.

  10. Half-quantum vortex molecules in a binary dipolar Bose gas.

    PubMed

    Shirley, Wilbur E; Anderson, Brandon M; Clark, Charles W; Wilson, Ryan M

    2014-10-17

    We study the ground state phases of a rotating two-component, or binary, Bose-Einstein condensate, wherein one component possesses a large permanent magnetic dipole moment. A variety of nontrivial phases emerge in this system, including a half-quantum vortex (HQV) chain phase and a HQV molecule phase, where HQVs bind at short distances. We attribute these phases to the development of a minimum in the HQV interaction potential, which emerges without coherent coupling or attractive interactions between the components. Thus, we show that the presence of dipolar interactions in this system provides a unique mechanism for the formation of HQV molecules and results in a rich ground state phase diagram. PMID:25361261

  11. Nuclear magnetic relaxation by the dipolar EMOR mechanism: General theory with applications to two-spin systems

    NASA Astrophysics Data System (ADS)

    Chang, Zhiwei; Halle, Bertil

    2016-02-01

    In aqueous systems with immobilized macromolecules, including biological tissue, the longitudinal spin relaxation of water protons is primarily induced by exchange-mediated orientational randomization (EMOR) of intra- and intermolecular magnetic dipole-dipole couplings. We have embarked on a systematic program to develop, from the stochastic Liouville equation, a general and rigorous theory that can describe relaxation by the dipolar EMOR mechanism over the full range of exchange rates, dipole coupling strengths, and Larmor frequencies. Here, we present a general theoretical framework applicable to spin systems of arbitrary size with symmetric or asymmetric exchange. So far, the dipolar EMOR theory is only available for a two-spin system with symmetric exchange. Asymmetric exchange, when the spin system is fragmented by the exchange, introduces new and unexpected phenomena. Notably, the anisotropic dipole couplings of non-exchanging spins break the axial symmetry in spin Liouville space, thereby opening up new relaxation channels in the locally anisotropic sites, including longitudinal-transverse cross relaxation. Such cross-mode relaxation operates only at low fields; at higher fields it becomes nonsecular, leading to an unusual inverted relaxation dispersion that splits the extreme-narrowing regime into two sub-regimes. The general dipolar EMOR theory is illustrated here by a detailed analysis of the asymmetric two-spin case, for which we present relaxation dispersion profiles over a wide range of conditions as well as analytical results for integral relaxation rates and time-dependent spin modes in the zero-field and motional-narrowing regimes. The general theoretical framework presented here will enable a quantitative analysis of frequency-dependent water-proton longitudinal relaxation in model systems with immobilized macromolecules and, ultimately, will provide a rigorous link between relaxation-based magnetic resonance image contrast and molecular parameters.

  12. Spectral spin diffusion and magnetic dipolar energy in the NMR of 13CH3 compounds.

    PubMed

    Ylinen, E E; Kankaanpää, M; Punkkinen, M

    2006-06-01

    Spin diffusion between 13CH3 groups in solids is studied both theoretically and experimentally. It is shown to be dominated by mutual spin flip-flops of protons belonging to neighbouring methyl groups. Also nonmethyl protons may contribute significantly if present in the sample. The spin-rotational ground state of 13CH3 consists of 16 sublevels. When their populations are used to describe spin diffusion, eight population combinations are shown to be important, two of them corresponding to the 13C-proton and proton-proton intra-methyl magnetic dipolar energies, Dc and Dp, respectively. Spin-diffusion transitions modulate these combinations so that a further reduction to two sets of four combinations is possible, with no coupling between the sets. Coupled differential equations are derived to describe the time dependence of the combinations in each set. They are solved numerically and compared with experimental results on a single crystal of aspirin with 13C-labelled methyl groups at the carbon resonance. The 13C NMR induction signal was observed as a function of time after the preparation either at the carbon resonance (a two-pulse sequence) or at the proton resonance (proton saturation). Usually carbon spectra were computed first and then three of the mentioned population combinations were obtained from the individual spectral components. Some results on the time dependence of Dc were also obtained directly from the amplitude of the out-of-phase induction signal. Theoretical predictions are found to describe semiquantitatively the overall time dependence of these three combinations and especially their variation with different initial conditions, which are discussed in detail. Also the partial transfer of the magnetic dipolar energy between Dc and Dp is nicely explained. Reasons for discrepancies are discussed. PMID:16361090

  13. Realizing Fractional Chern Insulators in Dipolar Spin Systems

    NASA Astrophysics Data System (ADS)

    Yao, N. Y.; Gorshkov, A. V.; Laumann, C. R.; Läuchli, A. M.; Ye, J.; Lukin, M. D.

    2013-05-01

    Strongly correlated quantum systems can exhibit exotic behavior controlled by topology. We predict that the ν=1/2 fractional Chern insulator arises naturally in a two-dimensional array of driven, dipolar-interacting spins. As a specific implementation, we analyze how to prepare and detect synthetic gauge potentials for the rotational excitations of ultracold polar molecules trapped in a deep optical lattice. With the motion of the molecules pinned, under certain conditions, these rotational excitations form a fractional Chern insulating state. We present a detailed experimental blueprint for its realization and demonstrate that the implementation is consistent with near-term capabilities. Prospects for the realization of such phases in solid-state dipolar systems are discussed as are their possible applications.

  14. Weyl Superfluidity in a Three-dimensional Dipolar Fermi Gas

    NASA Astrophysics Data System (ADS)

    Liu, Bo; Li, Xiaopeng; Yin, Lan; Liu, W. Vincent

    2015-03-01

    Weyl superconductivity or superfluidity, a fascinating topological state of matter, features novel phenomena such as emergent Weyl fermionic excitations and anomalies. Here we report that an anisotropic Weyl superfluid state can arise as a low temperature stable phase in a 3D dipolar Fermi gas. A crucial ingredient of our model is a direction-dependent two-body effective attraction generated by a rotating external field. Experimental signatures are predicted for cold gases in radio-frequency spectroscopy. The finite temperature phase diagram of this system is studied and the transition temperature of the Weyl superfluidity is found to be within the experimental scope for atomic dipolar Fermi gases. Work supported in part by U.S. ARO, AFOSR, DARPA-OLE-ARO, Charles E. Kaufman Foundation and The Pittsburgh Foundation, JQI-NSF-PFC, ARO-Atomtronics-MURI, and NSF of China.

  15. Demixing in binary mixtures of apolar and dipolar hard spheres

    NASA Astrophysics Data System (ADS)

    Almarza, N. G.; Lomba, E.; Martín, C.; Gallardo, A.

    2008-12-01

    We study the demixing transition of mixtures of equal size hard spheres and dipolar hard spheres using computer simulation and integral equation theories. Calculations are carried out at constant pressure, and it is found that there is a strong correlation between the total density and the composition. The critical temperature and the critical total density are found to increase with pressure. The critical mole fraction of the dipolar component on the contrary decreases as pressure is augmented. These qualitative trends are reproduced by the theoretical approaches that on the other hand overestimate by far the value of the critical temperature. Interestingly, the critical parameters for the liquid-vapor equilibrium extrapolated from the mixture results in the limit of vanishing neutral hard sphere concentration agree rather well with recent estimates based on the extrapolation of charged hard dumbbell phase equilibria when dumbbell elongation shrinks to zero [G. Ganzenmüller and P. J. Camp, J. Chem. Phys. 126, 191104 (2007)].

  16. A new order parameter in complex dipolar structures

    NASA Astrophysics Data System (ADS)

    Prosandeev, Sergey; Bellaiche, Laurent

    2008-03-01

    Microscopic models have been used to reveal the existence of a new order parameter that is associated with many complex dipolar structures in magnets and ferroelectrics. This overlooked order parameter involves a double cross product of the local dipoles with their positions. It provides a measure of subtle microscopic features, such as the helicity of the two domains inherent to onion states, curvature of the dipolar pattern in flower states or characteristics of set of vortices with opposite chirality (e.g., distance between vortices' centers and/or magnitude of their local dipoles). This work is mostly supported by DOE grant DE-FG02-05ER46188. We also acknowledge support from ONR grant N00014-04-1-0413 and NSF grants DMR-0701558, DMR-0404335 and DMR-0080054 (C-SPIN). Some computations were made possible thanks to the MRI Grants 0421099 and 0722625 from NSF.

  17. Measuring dipolar spin exchanges in ultracold polar KRb molecules

    NASA Astrophysics Data System (ADS)

    Moses, Steven; Yan, Bo; Gadway, Bryce; Covey, Jacob; Hazzard, Kaden; Rey, Ana Maria; Jin, Deborah; Ye, Jun

    2014-03-01

    By encoding spin in rotational states, we have observed spin exchanges of ultracold polar KRb molecules that are confined in a deep three dimensional optical lattice [Yan et al., Nature 501, 521 (2013)]. The interactions manifest as a density dependent decay of the spin coherence of the system, which is probed via Ramsey spectroscopy. In addition to decaying, there are oscillations in the contrast, with frequency components that are consistent with the dipolar interaction energies. By adding additional pulses, we can suppress pairwise dipolar interactions. We have studied these spin exchanges for two different pairs of rotational states, which differ by a factor of two in interaction strength, and find the decay and oscillations to be roughly twice as fast in the case of stronger interactions. This work lays the foundation for future studies of quantum magnetism with polar molecules in optical lattices. We acknowledge funding from NIST, NSF, DOE, AFOSR-MURI, DARPA, and the NDSEG Graduate Fellowship.

  18. Magnetization plateaus of dipolar spin ice on kagome lattice

    SciTech Connect

    Xie, Y. L.; Wang, Y. L.; Yan, Z. B.; Liu, J.-M.

    2014-05-07

    Unlike spin ice on pyrochlore lattice, the spin ice structure on kagome lattice retains net magnetic charge, indicating non-negligible dipolar interaction in modulating the spin ice states. While it is predicted that the dipolar spin ice on kagome lattice exhibits a ground state with magnetic charge order and √3 × √3 spin order, our work focuses on the magnetization plateau of this system. By employing the Wang-Landau algorithm, it is revealed that the lattice exhibits the fantastic three-step magnetization in response to magnetic field h along the [10] and [01] directions, respectively. For the h//[1 0] case, an additional √3/6M{sub s} step, where M{sub s} is the saturated magnetization, is observed in a specific temperature range, corresponding to a new state with charge order and short-range spin order.

  19. Manipulating microwaves with magnetic-dipolar-mode vortices

    SciTech Connect

    Kamenetskii, E. O.; Sigalov, M.; Shavit, R.

    2010-05-15

    There has been a surge of interest in the subwavelength confinement of electromagnetic fields. It is well known that, in optics, subwavelength confinement can be obtained from surface plasmon (quasielectrostatic) oscillations. In this article, we propose to realize subwavelength confinement in microwaves by using dipolar-mode (quasimagnetostatic) magnon oscillations in ferrite particles. Our studies of interactions between microwave electromagnetic fields and small ferrite particles with magnetic-dipolar-mode (MDM) oscillations show strong localization of electromagnetic energy. MDM oscillations in a ferrite disk are at the origin of topological singularities resulting in Poynting vector vortices and symmetry breakings of the microwave near fields. We show that new subwavelength microwave structures can be realized based on a system of interacting MDM ferrite disks. Wave propagation of electromagnetic signals in such structures is characterized by topological phase variations. Interactions of microwave fields with an MDM ferrite disk and MDM-disk arrays open a perspective for creating engineered electromagnetic fields with unique symmetry properties.

  20. Quantum filaments in dipolar Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Wächtler, F.; Santos, L.

    2016-06-01

    Collapse in dipolar Bose-Einstein condensates may be arrested by quantum fluctuations. Due to the anisotropy of the dipole-dipole interactions, the dipole-driven collapse induced by soft excitations is compensated by the repulsive Lee-Huang-Yang contribution resulting from quantum fluctuations of hard excitations, in a similar mechanism as that recently proposed for Bose-Bose mixtures. The arrested collapse results in self-bound filamentlike droplets, providing an explanation for the intriguing results of recent dysprosium experiments. Arrested instability and droplet formation are general features directly linked to the nature of the dipole-dipole interactions, and should hence play an important role in all future experiments with strongly dipolar gases.

  1. Quantum simulation of magnetic kinks with dipolar lattice gases

    NASA Astrophysics Data System (ADS)

    Cao, Lushuai; Yin, Xiangguo; Schmelcher, Peter

    2015-05-01

    We propose an effective Ising spin chain constructed with dipolar quantum gases confined in a one-dimensional optical superlattice. Mapping the motional degrees of freedom of a single particle in the lattice onto a pseudo-spin results in effective transverse and longitudinal magnetic fields. This effective Ising spin chain exhibits a quantum phase transition from a paramagnetic to a single-kink phase as the dipolar interaction increases. Particularly in the single-kink phase, a magnetic kink arises in the effective spin chain and behaves as a quasi-particle in a pinning potential exerted by the longitudinal magnetic field. Being realizable with current experimental techniques, this effective Ising chain presents a unique platform for emulating the quantum phase transition as well as the magnetic kink effects in the Ising-spin chain and enriches the toolbox for quantum emulation of spin models by ultracold quantum gases.

  2. Spinor condensate of {sup 87}Rb as a dipolar gas

    SciTech Connect

    Swislocki, Tomasz; Gajda, Mariusz; RzaPzewski, Kazimierz

    2010-03-15

    We consider a spinor condensate of {sup 87}Rb atoms in the F=1 hyperfine state confined in an optical dipole trap. Putting initially all atoms in the m{sub F}=0 component, we find that the system evolves toward a state of thermal equilibrium with kinetic energy equally distributed among all magnetic components. We show that this process is dominated by the dipolar interaction of magnetic spins rather than spin-mixing contact potential. Our results show that because of a dynamical separation of magnetic components, the spin-mixing dynamics in the {sup 87}Rb condensate is governed by the dipolar interaction which plays no role in a single-component rubidium system in a magnetic trap.

  3. Novel Quantum Phases of Dipolar Bose Gases in Optical Lattices

    NASA Astrophysics Data System (ADS)

    Yi, S.; Li, T.; Sun, C. P.

    2007-06-01

    We investigate the quantum phases of polarized dipolar bosons loaded into a two-dimensional square and three-dimensional cubic optical lattices. We show that the long-range and anisotropic nature of the dipole-dipole interaction induces a rich variety of quantum phases, including the supersolid and striped supersolid phases in two-dimensional lattices, and the layered supersolid phase in three-dimensional lattices.

  4. Thermal entanglement and teleportation in a dipolar interacting system

    NASA Astrophysics Data System (ADS)

    Castro, C. S.; Duarte, O. S.; Pires, D. P.; Soares-Pinto, D. O.; Reis, M. S.

    2016-04-01

    Quantum teleportation, which depends on entangled states, is a fascinating subject and an important branch of quantum information processing. The present work reports the use of a dipolar spin thermal system as a noisy quantum channel to perform quantum teleportation. Non-locality, tested by violation of Bell's inequality and thermal entanglement, measured by negativity, shows that for the present model all entangled states, even those that do not violate Bell's inequality, are useful for teleportation.

  5. Random acoustic metamaterial with a subwavelength dipolar resonance.

    PubMed

    Duranteau, Mickaël; Valier-Brasier, Tony; Conoir, Jean-Marc; Wunenburger, Régis

    2016-06-01

    The effective velocity and attenuation of longitudinal waves through random dispersions of rigid, tungsten-carbide beads in an elastic matrix made of epoxy resin in the range of beads volume fraction 2%-10% are determined experimentally. The multiple scattering model proposed by Luppé, Conoir, and Norris [J. Acoust. Soc. Am. 131(2), 1113-1120 (2012)], which fully takes into account the elastic nature of the matrix and the associated mode conversions, accurately describes the measurements. Theoretical calculations show that the rigid particles display a local, dipolar resonance which shares several features with Minnaert resonance of bubbly liquids and with the dipolar resonance of core-shell particles. Moreover, for the samples under study, the main cause of smoothing of the dipolar resonance of the scatterers and the associated variations of the effective mass density of the dispersions is elastic relaxation, i.e., the finite time required for the shear stresses associated to the translational motion of the scatterers to propagate through the matrix. It is shown that its influence is governed solely by the value of the particle to matrix mass density contrast. PMID:27369160

  6. Low-power broadband homonuclear dipolar recoupling in MAS NMR by two-fold symmetry pulse schemes for magnetization transfers and double-quantum excitation

    NASA Astrophysics Data System (ADS)

    Teymoori, Gholamhasan; Pahari, Bholanath; Edén, Mattias

    2015-12-01

    We provide an experimental, numerical, and high-order average Hamiltonian evaluation of an open-ended series of homonuclear dipolar recoupling sequences, SR2 2p 1 with p = 1, 2, 3, … . While operating at a very low radio-frequency (rf) power, corresponding to a nutation frequency of 1/2 of the magic-angle spinning (MAS) rate (ωnut =ωr / 2), these recursively generated double-quantum (2Q) dipolar recoupling schemes offer a progressively improved compensation to resonance offsets and rf inhomogeneity for increasing pulse-sequence order p. The excellent recoupling robustness to these experimental obstacles, as well as to CSA, is demonstrated for 2Q filtering (2QF) experiments and for driving magnetization transfers in 2D NMR correlation spectroscopy, where the sequences may provide either double or zero quantum dipolar Hamiltonians during mixing. Experimental and numerical demonstrations, which mostly target conditions of "ultra-fast" MAS (≳50 kHz) and high magnetic fields, are provided for recoupling of 13C across a wide range of isotropic and anisotropic chemical shifts, as well as dipolar coupling constants, encompassing [2,3-13C2 ]alanine, [1,3-13C2 ]alanine, diammonium [1,4-13C2 ]fumarate, and [U-13 C]tyrosine. When compared at equal power levels, a superior performance is observed for the SR2p 1 sequences with p ⩾ 3 relative to existing and well-established 2Q recoupling techniques. At ultra-fast MAS, proton decoupling is redundant during the homonuclear dipolar recoupling of dilute spins in organic solids, which renders the family of SR2p 1 schemes the first efficient 2Q recoupling option for general applications, such as 2Q-1Q correlation NMR and high-order multiple-quantum excitation, under truly low-power rf conditions.

  7. Characterization of polymer networks using the dipolar correlation effect on the stimulated echo and field-cycling nuclear-magnetic resonance relaxometry

    NASA Astrophysics Data System (ADS)

    Fischer, Elmar; Grinberg, Farida; Kimmich, Rainer; Hafner, Siegfried

    1998-07-01

    Chain dynamics in a series of styrene-butadiene rubbers (SBR) was studied with the aid of the dipolar correlation effect (DCE) and field-cycling NMR relaxometry (FCR). The typical time scales of the two techniques are t>10-4 s and t<10-3 s, respectively, and therefore complementary. The crosslink density of the polymer networks was varied in a wide range. In order to prevent sinusoidal undulations of the stimulated-echo attenuation curves due to spin exchange between groups with different chemical-shift offsets, the DCE of the samples was examined using a modified radio frequency pulse sequence with additional π pulses inserted in the free-evolution intervals. Residual dipolar couplings can thus be probed in samples where chemical-shift and dipolar interactions are of the same order. The dipolar correlations probed with the DCE in SBR networks turned out to exist on a time scale exceeding 300 ms. The short-time fluctuations (probed by FCR) and the long-time dynamics (probed by DCE) can be approached by power-law dipolar correlation functions with exponents -0.78±0.02 and -1.5±0.1, respectively. The crossover time is in the order of 1 ms. In contrast to FCR, the DCE data strongly depend on the crosslink density but not on the temperature in a range from 30 to 80 °C. On this basis determinations of the crosslink density may be possible as an alternative to the usual mechanical torsion modulus measurements.

  8. Low-power broadband homonuclear dipolar recoupling in MAS NMR by two-fold symmetry pulse schemes for magnetization transfers and double-quantum excitation.

    PubMed

    Teymoori, Gholamhasan; Pahari, Bholanath; Edén, Mattias

    2015-12-01

    We provide an experimental, numerical, and high-order average Hamiltonian evaluation of an open-ended series of homonuclear dipolar recoupling sequences, SR [Formula: see text] with p=1,2,3,…. While operating at a very low radio-frequency (rf) power, corresponding to a nutation frequency of 1/2 of the magic-angle spinning (MAS) rate (ωnut=ωr/2), these recursively generated double-quantum (2Q) dipolar recoupling schemes offer a progressively improved compensation to resonance offsets and rf inhomogeneity for increasing pulse-sequence order p. The excellent recoupling robustness to these experimental obstacles, as well as to CSA, is demonstrated for 2Q filtering (2QF) experiments and for driving magnetization transfers in 2D NMR correlation spectroscopy, where the sequences may provide either double or zero quantum dipolar Hamiltonians during mixing. Experimental and numerical demonstrations, which mostly target conditions of "ultra-fast" MAS (≳50kHz) and high magnetic fields, are provided for recoupling of (13)C across a wide range of isotropic and anisotropic chemical shifts, as well as dipolar coupling constants, encompassing [2,3-(13)C2]alanine, [1,3-(13)C2]alanine, diammonium [1,4-(13)C2]fumarate, and [U-(13)C]tyrosine. When compared at equal power levels, a superior performance is observed for the SR [Formula: see text] sequences with p⩾3 relative to existing and well-established 2Q recoupling techniques. At ultra-fast MAS, proton decoupling is redundant during the homonuclear dipolar recoupling of dilute spins in organic solids, which renders the family of SR [Formula: see text] schemes the first efficient 2Q recoupling option for general applications, such as 2Q-1Q correlation NMR and high-order multiple-quantum excitation, under truly low-power rf conditions. PMID:26515279

  9. Direct Investigation of Slow Correlated Dynamics in Proteins via Dipolar Interactions.

    PubMed

    Fenwick, R Bryn; Schwieters, Charles D; Vögeli, Beat

    2016-07-13

    The synchronization of native state motions as they transition between microstates influences catalysis kinetics, mediates allosteric interactions, and reduces the conformational entropy of proteins. However, it has proven difficult to describe native microstates because they are usually minimally frustrated and may interconvert on the micro- to millisecond time scale. Direct observation of concerted equilibrium fluctuations would therefore be an important tool for describing protein native states. Here we propose a strategy that relates NMR cross-correlated relaxation (CCR) rates between dipolar interactions to residual dipolar couplings (RDCs) of individual consecutive H(N)-N and H(α)-C(α) bonds, which act as a proxy for the peptide planes and the side chains, respectively. Using Xplor-NIH ensemble structure calculations restrained with the RDC and CCR data, we observe collective motions on time scales slower than nanoseconds in the backbone for GB3. To directly access the correlations from CCR, we develop a structure-free data analysis. The resulting dynamic correlation map is consistent with the ensemble-restrained simulations and reveals a complex network. In general, we find that the bond motions are on average slightly correlated and that the local environment dominates many observations. Despite this, some patterns are typical over entire secondary structure elements. In the β-sheet, nearly all bonds are weakly correlated, and there is an approximately binary alternation in correlation intensity corresponding to the solvent exposure/shielding alternation of the side chains. For α-helices, there is also a weak correlation in the H(N)-N bonds. The degree of correlation involving H(α)-C(α) bonds is directly affected by side-chain fluctuations, whereas loops show complex and nonuniform behavior. PMID:27331619

  10. A Bis-Manganese(II)-DOTA Complex for Pulsed Dipolar Spectroscopy.

    PubMed

    Demay-Drouhard, Paul; Ching, H Y Vincent; Akhmetzyanov, Dmitry; Guillot, Régis; Tabares, Leandro C; Bertrand, Hélène C; Policar, Clotilde

    2016-07-01

    High-spin gadolinium(III) and manganese(II) complexes have emerged as alternatives to standard nitroxide radical spin labels for measuring nanometric distances by using pulsed electron-electron double resonance (PELDOR or DEER) at high fields/frequencies. For certain complexes, particularly those with relatively small zero-field splitting (ZFS) and short distances between the two metal centers, the pseudosecular term of the dipolar coupling Hamiltonian is non-negligible. However, in general, the contribution from this term during conventional data analysis is masked by the flexibility of the molecule of interest and/or the long tethers connecting them to the spin labels. The efficient synthesis of a model system consisting of two [Mn(dota)](2-) (MnDOTA; DOTA(4-) =1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) directly connected to the ends of a central rodlike oligo(phenylene-ethynylene) (OPE) spacer is reported. The rigidity of the OPE is confirmed by Q-band PELDOR measurements on a bis-nitroxide analogue. The Mn(II) -Mn(II) distance distribution profile determined by W-band PELDOR is in reasonable agreement with one simulated by using a simple rotamer analysis. The small degree of flexibility arising from the linking MnDOTA arm appears to outweigh the contribution from the pseudosecular term at this interspin distance. This study illustrates the potential of MnDOTA-based spin labels for measuring fairly short nanometer distances, and also presents an interesting candidate for in-depth studies of pulsed dipolar spectroscopy methods on Mn(II) -Mn(II) systems. PMID:27017296

  11. Manifestations of the absence of spin diffusion in multipulse NMR experiments on diluted dipolar solids

    NASA Astrophysics Data System (ADS)

    Franzoni, María Belén; Levstein, Patricia R.

    2005-12-01

    Puzzling anomalies previously observed in multipulse NMR experiments in natural abundance Si29 [A. E. Dementyev, D. Li, K. MacLean, and S. E. Barrett, Phys. Rev. B 68, 153302 (2003)], such as long-lived spin echoes and even-odd asymmetries, are also found in polycrystalline C60 . Further experiments controlling the phases and tilting angles of the pulse trains, as well as analytical and numerical calculations, allowed us to explain the origin of these anomalies. We prove that the observation of long magnetization tails requires two conditions: (i) an rf field inhomogeneity or a highly inhomogeneous line able to produce different tilting angles in different sites of the sample and (ii) the absence of spin diffusion (noneffective flip-flop interactions). The last requirement is easily satisfied in diluted dipolar solids, where the frequency differences between sites, caused by disorder or other sources, are usually at least one order of magnitude larger than the dipolar couplings. Both conditions lead to the generation of stimulated echoes in Carr-Purcell (CP) and Carr-Purcell-Meiboom-Gill (CPMG) pulse trains. We show, both experimentally and theoretically, that the stimulated echoes interfere constructively or destructively with the normal (Hahn) echoes depending on the alternation or not of the π pulse phases in the CP and CPMG sequences. Constructive interferences occur for the CP and CPMG sequences with and without phase alternation, respectively, which are the cases where long magnetization tails are observed. Sequences with two, three, and four π pulses after the π/2 pulse allow us to disentangle the contributions of the different echoes and show how the stimulated echoes originate the even-odd asymmetry observed in both Si29 and C60 polycrystalline samples.

  12. Measurement of long range H,C couplings in natural products in orienting media: a tool for structure elucidation of natural products

    NASA Astrophysics Data System (ADS)

    Verdier, Laurent; Sakhaii, Peyman; Zweckstetter, Markus; Griesinger, Christian

    2003-08-01

    In this paper we show that water insoluble compounds dissolved in poly-γ-benzyl-glutamate are amenable to the measurement of a number of homo- and heteronuclear dipolar couplings. The sensitivity and experimental precision of dipolar couplings are sufficient to obtain a good match with the structure. In order to achieve the necessary precision for H,C dipolar couplings between protons and carbons that are not directly bound a new method for the measurement of heteronuclear long range couplings is introduced that allows a one-parameter fit to a HSQC-based experiment as reference experiment. The methodology is applied to menthol (1R, 3S, 4R).

  13. Broadband cross-polarization-based heteronuclear dipolar recoupling for structural and dynamic NMR studies of rigid and soft solids.

    PubMed

    Kharkov, B B; Chizhik, V I; Dvinskikh, S V

    2016-01-21

    Dipolar recoupling is an essential part of current solid-state NMR methodology for probing atomic-resolution structure and dynamics in solids and soft matter. Recently described magic-echo amplitude- and phase-modulated cross-polarization heteronuclear recoupling strategy aims at efficient and robust recoupling in the entire range of coupling constants both in rigid and highly dynamic molecules. In the present study, the properties of this recoupling technique are investigated by theoretical analysis, spin-dynamics simulation, and experimentally. The resonance conditions and the efficiency of suppressing the rf field errors are examined and compared to those for other recoupling sequences based on similar principles. The experimental data obtained in a variety of rigid and soft solids illustrate the scope of the method and corroborate the results of analytical and numerical calculations. The technique benefits from the dipolar resolution over a wider range of coupling constants compared to that in other state-of-the-art methods and thus is advantageous in studies of complex solids with a broad range of dynamic processes and molecular mobility degrees. PMID:26801025

  14. Magnetic hysteresis based on dipolar interactions in granular magnetic systems

    NASA Astrophysics Data System (ADS)

    Allia, Paolo; Coisson, Marco; Knobel, Marcelo; Tiberto, Paola; Vinai, Franco

    1999-11-01

    The magnetic hysteresis of granular magnetic systems is investigated in the high-temperature limit (T>> blocking temperature of magnetic nanoparticles). Measurements of magnetization curves have been performed at room temperature on various samples of granular bimetallic alloys of the family Cu100-xCox (x=5-20 at. %) obtained in ribbon form by planar flow casting in a controlled atmosphere, and submitted to different thermal treatments. The loop amplitude and shape, which are functions of sample composition and thermal history, are studied taking advantage of a novel method of graphical representation, particularly apt to emphasize the features of thin, elongated loops. The hysteresis is explained in terms of the effect of magnetic interactions of the dipolar type among magnetic-metal particles, acting to hinder the response of the system of moments to isothermal changes of the applied field. Such a property is accounted for in a mean-field scheme, by introducing a memory term in the argument of the Langevin function which describes the anhysteretic behavior of an assembly of noninteracting superparamagnetic particles. The rms field arising from the cumulative effect of dipolar interactions is linked by the theory to a measurable quantity, the reduced remanence of a major symmetric hysteresis loop. The theory's self-consistence and adequacy have been properly tested at room temperature on all examined systems. The agreement with experimental results is always striking, indicating that at high temperatures the magnetic hysteresis of granular systems is dominated by interparticle, rather than single-particle, effects. Dipolar interactions seem to fully determine the magnetic hysteresis in the high-temperature limit for low Co content (x<=10). For higher concentrations of magnetic metal, the experimental results indicate that additional hysteretic mechanisms have to be introduced.

  15. On the Ginzburg temperature of ionic and dipolar fluids

    NASA Astrophysics Data System (ADS)

    Weiss, V. C.; Schröer, W.

    1997-02-01

    Critical fluctuations in fluids are investigated within the framework of the generalized van der Waals theory. The square-gradient term—added to the Landau expansion of the Helmholtz free energy density—is obtained following a procedure similar to that originally proposed by van der Waals in the theory of surface tension, however replacing the Heaviside step function originally used by an approximative pair distribution function. Representative for ionic fluids we choose the restricted primitive model (RPM) and treat it within the Debye-Hückel theory, thus neglecting effects of ion pairing. The other approximative extreme—complete ion pairing resulting in a fluid of hard dipolar dumbbells—is mimicked by a fluid composed of dipolar hard spheres (DHS). For this case we use the Onsager reaction field and the second pressure virial coefficient. We calculate the amplitudes of the correlation length and the Ginzburg temperatures, and find (in reduced quantities) ξ0*=3.50 and ΔTGi*=0.0087 for the ionic system, and ξ0*=0.82 and ΔTGi*=1.63 for the dipolar fluid. For calibration we compute the same quantities for simple neutral fluids and obtain ξ0*=0.50 and ΔTGi*=2.89 for a Sutherland fluid (hard core term plus attractive r-6-potential) and ξ0*=0.43 and ΔTGi*=8.50 for a square-well fluid. The result of a smaller Ginzburg temperature for the ionic fluid than for nonionic fluids in a treatment that neglects ion pairing is clearly at variance with the results of other groups. The correlation length in the low-density limit obtained from our approach has the same functional dependencies as the Lee-Fisher expression, but differs by a numerical factor of 5.7.

  16. Heisenberg-scaled magnetometer with dipolar spin-1 condensates

    NASA Astrophysics Data System (ADS)

    Xing, Haijun; Wang, Anbang; Tan, Qing-Shou; Zhang, Wenxian; Yi, Su

    2016-04-01

    We propose a scheme to realize a Heisenberg-scaled magnetometer using dipolar spin-1 condensates. The input state of magnetometer is prepared by slowly sweeping a transverse magnetic field to zero, which yields a highly entangled spin state of N atoms. We show that this process is protected by a parity symmetry such that the state preparation time is within the reach of the current experiment. We also propose a parity measurement with a Stern-Gerlach apparatus which is shown to approach the optimal measurement in the large atom number limit. Finally, we show that the phase estimation sensitivity of the proposed scheme roughly follows the Heisenberg scaling.

  17. Stability spectroscopy of rotons in a dipolar Bose gas

    NASA Astrophysics Data System (ADS)

    Corson, John P.; Wilson, Ryan M.; Bohn, John L.

    2013-05-01

    We study the stability of a quasi-one-dimensional dipolar Bose-Einstein condensate that is perturbed by a weak lattice potential along its axis. Our numerical simulations demonstrate that systems exhibiting a roton-maxon structure destabilize readily when the lattice wavelength equals either half the roton wavelength or a low roton subharmonic. We apply perturbation theory to the Gross-Pitaevskii and Bogoliubov-de Gennes equations to illustrate the mechanisms behind the instability threshold. The features of our stability diagram may be used as a direct measurement of the roton wavelength for quasi-one-dimensional geometries.

  18. Nonequilibrium quantum magnetism in a dipolar lattice gas.

    PubMed

    de Paz, A; Sharma, A; Chotia, A; Maréchal, E; Huckans, J H; Pedri, P; Santos, L; Gorceix, O; Vernac, L; Laburthe-Tolra, B

    2013-11-01

    We report on the realization of quantum magnetism using a degenerate dipolar gas in an optical lattice. Our system implements a lattice model resembling the celebrated t-J model. It is characterized by a nonequilibrium spinor dynamics resulting from intersite Heisenberg-like spin-spin interactions provided by nonlocal dipole-dipole interactions. Moreover, due to its large spin, our chromium lattice gases constitute an excellent environment for the study of quantum magnetism of high-spin systems, as illustrated by the complex spin dynamics observed for doubly occupied sites. PMID:24237534

  19. Long-range correction for dipolar fluids at planar interfaces

    NASA Astrophysics Data System (ADS)

    Werth, Stephan; Horsch, Martin; Hasse, Hans

    2015-12-01

    A slab-based long-range correction for dipolar interactions in molecular dynamics simulation of systems with a planar geometry is presented and applied to simulate vapour-liquid interfaces. The present approach is validated with respect to the saturated liquid density and the surface tension of the Stockmayer fluid and a molecular model for ethylene oxide. The simulation results exhibit no dependence on the cut-off radius for radii down to 1 nm, proving that the long-range correction accurately captures the influence of the dipole moment on the intermolecular interaction energies and forces as well as the virial and the surface tension.

  20. Pitfalls in the dipolar model for the neocortical EEG sources.

    PubMed

    Riera, Jorge J; Ogawa, Takeshi; Goto, Takakuni; Sumiyoshi, Akira; Nonaka, Hiroi; Evans, Alan; Miyakawa, Hiroyoshi; Kawashima, Ryuta

    2012-08-01

    For about six decades, primary current sources of the electroencephalogram (EEG) have been assumed dipolar in nature. In this study, we used electrophysiological recordings from anesthetized Wistar rats undergoing repeated whisker deflections to revise the biophysical foundations of the EEG dipolar model. In a first experiment, we performed three-dimensional recordings of extracellular potentials from a large portion of the barrel field to estimate intracortical multipolar moments generated either by single spiking neurons (i.e., pyramidal cells, PC; spiny stellate cells, SS) or by populations of them while experiencing synchronized postsynaptic potentials. As expected, backpropagating spikes along PC dendrites caused dipolar field components larger in the direction perpendicular to the cortical surface (49.7 ± 22.0 nA·mm). In agreement with the fact that SS cells have "close-field" configurations, their dipolar moment at any direction was negligible. Surprisingly, monopolar field components were detectable both at the level of single units (i.e., -11.7 ± 3.4 nA for PC) and at the mesoscopic level of mixed neuronal populations receiving extended synaptic inputs within either a cortical column (-0.44 ± 0.20 μA) or a 2.5-m(3)-voxel volume (-3.32 ± 1.20 μA). To evaluate the relationship between the macroscopically defined EEG equivalent dipole and the mesoscopic intracortical multipolar moments, we performed concurrent recordings of high-resolution skull EEG and laminar local field potentials. From this second experiment, we estimated the time-varying EEG equivalent dipole for the entire barrel field using either a multiple dipole fitting or a distributed type of EEG inverse solution. We demonstrated that mesoscopic multipolar components are altogether absorbed by any equivalent dipole in both types of inverse solutions. We conclude that the primary current sources of the EEG in the neocortex of rodents are not precisely represented by a single equivalent

  1. Quantum demixing in binary mixtures of dipolar bosons

    SciTech Connect

    Jain, Piyush; Boninsegni, Massimo

    2011-02-15

    Quantum Monte Carlo simulations of a two-component Bose mixture of trapped dipolar atoms of identical masses and dipole moments, provide numerical evidence of demixing at low finite temperatures. Demixing occurs as a consequence of quantum statistics, which results in an effective attraction between like bosons. Spatial separation of two components takes place at low temperature with the onset of long exchanges of identical particles, underlying Bose-Einstein condensation of both components. Conversely, at higher temperature the system is miscible due to the entropy of mixing. Exchanges are also found to enhance demixing in the case of mixtures of nonidentical and distinguishable species.

  2. Density functional theory for strongly-correlated ultracold dipolar gases

    NASA Astrophysics Data System (ADS)

    Malet Giralt, Francesc; Reimann, Stephanie; Gori-Giorgi, Paola; Lund University Collaboration

    2014-03-01

    We address quasi-one-dimensional strongly-correlated dipolar ultracold gases by means of density functional theory. We make use of an approximation for the Hartree-exchange-correlation that has been shown to be very accurate for electronic systems with coulombic interactions. We show that this approach allows to treat systems with very large particle numbers at relatively low computational cost. This work has been supported by a VIDI grant of the NWO and a Marie Curie grant within the FP7 programme.

  3. Nonequilibrium Quantum Magnetism in a Dipolar Lattice Gas

    NASA Astrophysics Data System (ADS)

    de Paz, A.; Sharma, A.; Chotia, A.; Maréchal, E.; Huckans, J. H.; Pedri, P.; Santos, L.; Gorceix, O.; Vernac, L.; Laburthe-Tolra, B.

    2013-11-01

    We report on the realization of quantum magnetism using a degenerate dipolar gas in an optical lattice. Our system implements a lattice model resembling the celebrated t-J model. It is characterized by a nonequilibrium spinor dynamics resulting from intersite Heisenberg-like spin-spin interactions provided by nonlocal dipole-dipole interactions. Moreover, due to its large spin, our chromium lattice gases constitute an excellent environment for the study of quantum magnetism of high-spin systems, as illustrated by the complex spin dynamics observed for doubly occupied sites.

  4. On the rigidity of polynorbornenes with dipolar pendant groups.

    PubMed

    Lin, Wei-Yu; Murugesh, Modachur G; Sudhakar, Sundarraj; Yang, Hsiao-Ching; Tai, Hwan-Ching; Chang, Chia-Seng; Liu, Yi-Hung; Wang, Yu; Chen, I-Wen Peter; Chen, Chun-Hsien; Luh, Tien-Yau

    2005-12-16

    A range of polynorbornenes (PNBs) with fused dipolar pendant groups at C-5,6 positions was synthesized by ring-opening metathesis polymerization catalyzed by a ruthenium carbene complex (Grubbs I). Photophysical studies, EFISH measurements, and atomic force microscopy images have been used to investigate the structures and morphology of these polymers. These results suggest that the polymers may adopt rigid rod-like structures. The presence of the double bonds in PNBs appeared to be indispensable for the rigidity of the polymers. Interaction between unsaturated pendant groups may result in coherent alignment leading to a rod-like structure. PMID:16278915

  5. Confocal shift interferometry of coherent emission from trapped dipolar excitons

    SciTech Connect

    Repp, J.; Schinner, G. J.; Schubert, E.; Rai, A. K.; Wieck, A. D.; Reuter, D.; Wurstbauer, U.; Holleitner, A. W.; and others

    2014-12-15

    We introduce a confocal shift-interferometer based on optical fibers. The presented spectroscopy allows measuring coherence maps of luminescent samples with a high spatial resolution even at cryogenic temperatures. We apply the spectroscopy onto electrostatically trapped, dipolar excitons in a semiconductor double quantum well. We find that the measured spatial coherence length of the excitonic emission coincides with the point spread function of the confocal setup. The results are consistent with a temporal coherence of the excitonic emission down to temperatures of 250 mK.

  6. Overcoming artificial broadening in Gd(3+)-Gd(3+) distance distributions arising from dipolar pseudo-secular terms in DEER experiments.

    PubMed

    Cohen, Marie Ramirez; Frydman, Veronica; Milko, Petr; Iron, Mark A; Abdelkader, Elwy H; Lee, Michael D; Swarbrick, James D; Raitsimring, Arnold; Otting, Gottfried; Graham, Bim; Feintuch, Akiva; Goldfarb, Daniella

    2016-05-14

    By providing accurate distance measurements between spin labels site-specifically attached to bio-macromolecules, double electron-electron resonance (DEER) spectroscopy provides a unique tool to probe the structural and conformational changes in these molecules. Gd(3+)-tags present an important family of spin-labels for such purposes, as they feature high chemical stability and high sensitivity in high-field DEER measurements. The high sensitivity of the Gd(3+) ion is associated with its high spin (S = 7/2) and small zero field splitting (ZFS), resulting in a narrow spectral width of its central transition at high fields. However, under the conditions of short distances and exceptionally small ZFS, the weak coupling approximation, which is essential for straightforward DEER data analysis, becomes invalid and the pseudo-secular terms of the dipolar Hamiltonian can no longer be ignored. This work further explores the effects of pseudo-secular terms on Gd(3+)-Gd(3+) DEER measurements using a specifically designed ruler molecule; a rigid bis-Gd(3+)-DOTA model compound with an expected Gd(3+)-Gd(3+) distance of 2.35 nm and a very narrow central transition at the W-band (95 GHz). We show that the DEER dipolar modulations are damped under the standard W-band DEER measurement conditions with a frequency separation, Δν, of 100 MHz between the pump and observe pulses. Consequently, the DEER spectrum deviates considerably from the expected Pake pattern. We show that the Pake pattern and the associated dipolar modulations can be restored with the aid of a dual mode cavity by increasing Δν from 100 MHz to 1.09 GHz, allowing for a straightforward measurement of a Gd(3+)-Gd(3+) distance of 2.35 nm. The increase in Δν increases the contribution of the |-5/2〉→|-3/2〉 and |-7/2〉→|-5/2〉 transitions to the signal at the expense of the |-3/2 〉→|-1/2〉 transition, thus minimizing the effect of dipolar pseudo-secular terms and restoring the validity of the weak

  7. Dipolar clusters and ferroelectricity in high Tc superconductors

    NASA Astrophysics Data System (ADS)

    Kusmartsev, F. V.; Saarela, M.

    2015-08-01

    In this paper, we show that doping of hole charge carriers induces formation of resonance plaquettes (RPs) having electric dipolar moments and fluctuating stripes in cuprates. A single RP is created by many-body interactions between the dopant ion or a charge fluctuation outside and holes inside the CuO plane. In such a process, Coulomb interacting holes in the CuO plane are self-organized into four-particles resonance valence bond plaquettes bound with dopants or polarons located in the spacer layer between CuO planes. Such RPs have ordered and disordered phases. They are ordered into charge density waves (CDW) or stripes only at certain conditions. The lowest energy of the ordered phase corresponds to a local antiferroelectric ordering. The RPs mobility is very low at low temperatures and they are bound into dipole-dipole pairs. Electromagnetic radiation interacts strongly with RPs electric dipoles and when the sample is subjected to it, the mobility changes significantly. This leads to a fractal growth of dipolar RP clusters. The existence of electric dipoles and CDW reveal a series of new phenomena such as ferroelectricity, strong light and microwave absorption and the field induced superconductivity.

  8. The mean spherical approximation for a dipolar Yukawa fluid

    NASA Astrophysics Data System (ADS)

    Henderson, Douglas; Boda, Dezső; Szalai, István; Chan, Kwong-Yu

    1999-04-01

    The dipolar hard sphere fluid (DHSF) is a useful model of a polar fluid. However, the DHSF lacks a vapor-liquid transition due to the formation of chain-like structures. Such chains are not characteristic of real polar fluids. A more realistic model of a polar fluid is obtained by adding a Lennard-Jones potential to the intermolecular potential. Very similar results are obtained by adding a Yukawa potential, instead of the Lennard-Jones potential. We call this fluid the dipolar Yukawa fluid (DYF). We show that an analytical solution of the mean spherical approximation (MSA) can be obtained for the DYF. Thus, the DYF has many of the attractive features of the DHSF. We find that, within the MSA, the Yukawa potential modifies only the spherically averaged distribution function. Thus, although the thermodynamic properties of the DYF differ from those of the DHSF, the MSA dielectric constant of the DYF is the same as that of the DHSF. This result, and some other predictions, are tested by simulations and are found to be good approximations.

  9. Evidence for several dipolar quasi-invariants in liquid crystals

    NASA Astrophysics Data System (ADS)

    Bonin, C. J.; González, C. E.; Segnorile, H. H.; Zamar, R. C.

    2013-10-01

    The quasi-equilibrium states of an observed quantum system involve as many constants of motion as the dimension of the operator basis which spans the blocks of all the degenerate eigenvalues of the Hamiltonian that drives the system dynamics, however, the possibility of observing such quasi-invariants in solid-like spin systems in Nuclear Magnetic Resonance (NMR) is not a strictly exact prediction. The aim of this work is to provide experimental evidence of several quasi-invariants, in the proton NMR of small spin clusters, like nematic liquid crystal molecules, in which the use of thermodynamic arguments is not justified. We explore the spin states prepared with the Jeener-Broekaert pulse sequence by analyzing the time-domain signals yielded by this sequence as a function of the preparation times, in a variety of dipolar networks, solids, and liquid crystals. We observe that the signals can be explained with two dipolar quasi-invariants only within a range of short preparation times, however at longer times liquid crystal signals show an echo-like behaviour whose description requires assuming more quasi-invariants. We study the multiple quantum coherence content of such signals on a basis orthogonal to the z-basis and see that such states involve a significant number of correlated spins. Therefore, we show that the NMR signals within the whole preparation time-scale can only be reconstructed by assuming the occurrence of multiple quasi-invariants which we experimentally isolate.

  10. Dynamical simulation of dipolar Janus colloids: Dynamical properties

    NASA Astrophysics Data System (ADS)

    Hagy, Matthew C.; Hernandez, Rigoberto

    2013-05-01

    The dynamical properties of dipolar Janus particles are studied through simulation using our previously-developed detailed pointwise (PW) model and an isotropically coarse-grained (CG) model [M. C. Hagy and R. Hernandez, J. Chem. Phys. 137, 044505 (2012), 10.1063/1.4737432]. The CG model is found to have accelerated dynamics relative to the PW model over a range of conditions for which both models have near identical static equilibrium properties. Physically, this suggests dipolar Janus particles have slower transport properties (such as diffusion) in comparison to isotropically attractive particles. Time rescaling and damping with Langevin friction are explored to map the dynamics of the CG model to that of the PW model. Both methods map the diffusion constant successfully and improve the velocity autocorrelation function and the mean squared displacement of the CG model. Neither method improves the distribution of reversible bond durations f(tb) observed in the CG model, which is found to lack the longer duration reversible bonds observed in the PW model. We attribute these differences in f(tb) to changes in the energetics of multiple rearrangement mechanisms. This suggests a need for new methods that map the coarse-grained dynamics of such systems to the true time scale.

  11. Field-induced ordering in dipolar spin ice

    NASA Astrophysics Data System (ADS)

    Kao, Wen-Han; Holdsworth, Peter C. W.; Kao, Ying-Jer

    2016-05-01

    We present numerical studies of dipolar spin ice in the presence of a magnetic field slightly tilted away from the [111] axis. We find a first-order transition from a kagome ice to a q =X state when the external field is tilted toward the [11 2 ¯] direction. This is consistent with the anomalous critical scattering previously observed in the neutron scattering experiment on the spin ice material Ho2Ti2O7 in a tilted field [T. Fennell et al., Nat. Phys. 3, 566 (2007), 10.1038/nphys632]. We show that this ordering originates from the antiferromagnetic alignment of spin chains on the kagome planes. The residual entropy of the kagome ice is fully recovered. Our result captures the features observed in the experiments and points to the importance of the dipolar interaction in determining ordered states in the spin ice materials. We place our results in the context of recent susceptibility measurements on Dy2Ti2O7 , showing two features for a [111] field.

  12. Moving Dipolar Features in an Emerging Flux Region

    NASA Astrophysics Data System (ADS)

    Bernasconi, P. N.; Rust, D. M.; Georgoulis, M. K.; Labonte, B. J.

    2002-09-01

    On 25 January, 2000, we observed active region NOAA 8844 with the Flare Genesis Experiment (FGE), a balloon-borne observatory with an 80-cm solar telescope. FGE was equipped with a vector polarimeter and a tunable Fabry Pérot narrow-band filter. It recorded time series of filtergrams, vector magnetograms and Dopplergrams at the Ca i 6122.2 Å line, and Hα filtergrams with a cadence between 2.5 and 7.5 min. At the time of the observations, NOAA 8844 was located at approximately 5° N 30° W. The region was growing rapidly; new magnetic flux was constantly emerging in three supergranules near its center. We report on the structure and behavior of peculiar moving dipolar features (MDFs) in the emerging flux, and we describe in detail how the FGE data were analyzed. In longitudinal magnetograms, the MDFs appeared to be small dipoles flowing into sunspots and supergranule boundaries. Previously, dipolar moving magnetic features (MMFs) have only been observed flowing out from sunspots. The FGE vector magnetograms show that the MDFs occurred in a region with nearly horizontal fields, the MDFs being distinguished as undulations in these fields. We identify the MDFs as stitches where the emerging flux ropes were still tied to the photosphere by trapped mass. We present a U-loop model that accounts for their unusual structure and behavior, as well as showing how emerging flux sheds entrained mass.

  13. A comparative study of dipolarization fronts at MMS and Cluster

    NASA Astrophysics Data System (ADS)

    Schmid, D.; Nakamura, R.; Volwerk, M.; Plaschke, F.; Narita, Y.; Baumjohann, W.; Magnes, W.; Fischer, D.; Eichelberger, H. U.; Torbert, R. B.; Russell, C. T.; Strangeway, R. J.; Leinweber, H. K.; Le, G.; Bromund, K. R.; Anderson, B. J.; Slavin, J. A.; Kepko, E. L.

    2016-06-01

    We present a statistical study of dipolarization fronts (DFs), using magnetic field data from MMS and Cluster, at radial distances below 12 RE and 20 RE, respectively. Assuming that the DFs have a semicircular cross section and are propelled by the magnetic tension force, we used multispacecraft observations to determine the DF velocities. About three quarters of the DFs propagate earthward and about one quarter tailward. Generally, MMS is in a more dipolar magnetic field region and observes larger-amplitude DFs than Cluster. The major findings obtained in this study are as follows: (1) At MMS ˜57 % of the DFs move faster than 150 km/s, while at Cluster only ˜35 %, indicating a variable flux transport rate inside the flow-braking region. (2) Larger DF velocities correspond to higher Bz values directly ahead of the DFs. We interpret this as a snow plow-like phenomenon, resulting from a higher magnetic flux pileup ahead of DFs with higher velocities.

  14. Novel disordering mechanisms in dipolar spin glasses and ferromagnets

    NASA Astrophysics Data System (ADS)

    Schechter, Moshe; Andersen, Juan Carlos; Katzgraber, Helmut

    2012-02-01

    At and below the critical dimension the disordering of an ordered phase by a random field occurs via a collective effect of large domains at infinitesimal random field [Imry & Ma, Phys. Rev. Lett. 35, 1399 (1975)]. At larger space dimensions the disordering requires a large random field, of the order of the interaction energy. In a random field, the lower critical dimension is 2 for Ising ferromagnets, whereas it is infinity for spin glasses. We have generalized the Imry-Ma argument for ferromagnets with competing interactions and an underlying spin-glass phase, and for dilute dipolar spin glasses. For dilute dipolar spin glasses we have found [EPL 88, 66002 (2009)] that the broad distribution of random fields dictates more efficient disordering of the glass phase, and domain sizes which depend explicitly on the concentration, i.e., do not obey simple scaling. Here we show that as a result of a competing spin-glass phase, the disordering of the ferromagnet occurs at a finite random field, which is yet much smaller than the interactions. Our results are verified numerically, explain the recently-observed peculiar linear dependence of Tc on the random field strength [Nature 448, 567 (2007)], and predict a zero-temperature random-field driven transition between a ferromagnetic and a quasi spin glass phase.

  15. Emergent structure in a dipolar Bose gas in a one-dimensional lattice

    SciTech Connect

    Wilson, Ryan M.; Bohn, John L.

    2011-02-15

    We consider an ultracold dipolar Bose gas in a one-dimensional lattice. For a sufficiently large lattice recoil energy, such a system becomes a series of nonoverlapping Bose-Einstein condensates that interact via the long-range dipole-dipole interaction (ddi). We model this system via a coupled set of nonlocal Gross-Pitaevskii equations (GPEs) for lattices of both infinite and finite extent. We find significantly modified stability properties in the lattice due to the softening of a discrete roton-like mode, as well as ''islands'' in parameter space where biconcave densities are predicted to exist and that only exist in the presence of the other condensates on the lattice. We solve for the elementary excitations of the system to check the dynamical stability of these solutions and to uncover the nature of their collapse. By solving a coupled set of GPEs exactly on a full numeric grid, we show that this emergent biconcave structure can be realized in a finite lattice with atomic {sup 52}Cr.

  16. Emergent structure in a dipolar Bose gas in a one-dimensional lattice

    NASA Astrophysics Data System (ADS)

    Wilson, Ryan M.; Bohn, John L.

    2011-02-01

    We consider an ultracold dipolar Bose gas in a one-dimensional lattice. For a sufficiently large lattice recoil energy, such a system becomes a series of nonoverlapping Bose-Einstein condensates that interact via the long-range dipole-dipole interaction (ddi). We model this system via a coupled set of nonlocal Gross-Pitaevskii equations (GPEs) for lattices of both infinite and finite extent. We find significantly modified stability properties in the lattice due to the softening of a discrete roton-like mode, as well as “islands” in parameter space where biconcave densities are predicted to exist and that only exist in the presence of the other condensates on the lattice. We solve for the elementary excitations of the system to check the dynamical stability of these solutions and to uncover the nature of their collapse. By solving a coupled set of GPEs exactly on a full numeric grid, we show that this emergent biconcave structure can be realized in a finite lattice with atomic Cr52.

  17. Challenging the presence of scalar charge and dipolar radiation in binary pulsars

    NASA Astrophysics Data System (ADS)

    Yagi, Kent; Stein, Leo C.; Yunes, Nicolás

    2016-01-01

    Corrections to general relativity that introduce long-ranged scalar fields which are nonminimally coupled to curvature typically predict that neutron stars possess a nontrivial scalar field profile anchored to the star. An observer far from a star is most sensitive to the spherically symmetric piece of this profile that decays linearly with the inverse of the distance to the source, the so-called scalar monopole charge, which is related to the emission of dipolar radiation from compact binary systems. The presence of dipolar radiation has the potential to rule out or very strongly constrain extended theories of gravity. These facts may lead people to believe that gravitational theories that introduce long-ranged scalar fields have already been constrained strongly from binary pulsar observations. Here we challenge this "lore" by investigating the decoupling limit of Gauss-Bonnet gravity as an example, in which the scalar field couples linearly to the Gauss-Bonnet density in the action. We prove a theorem that neutron stars in this theory cannot possess a scalar charge, due to the topological nature of the Gauss-Bonnet density. Thus Gauss-Bonnet gravity evades the strong binary pulsar constraints on dipole radiation. We discuss the astrophysical systems which will yield the best constraints on Gauss-Bonnet gravity and related quadratic gravity theories. To achieve this we compute the scalar charge in quadratic gravity theories by performing explicit analytic and numerical matching calculations for slowly rotating neutron stars. In generic quadratic gravity theories, either neutron star-binary or neutron star-black hole systems can be used to constrain the theory, but because of the vanishing charge, Gauss-Bonnet gravity evades the neutron star-binary constraints. However, in contrast to neutron stars, black holes in Gauss-Bonnet gravity do anchor scalar charge, because of the difference in topology. The best constraints on Gauss-Bonnet gravity will thus come from

  18. Intermediate couplings: NMR at the solids-liquids interface

    NASA Astrophysics Data System (ADS)

    Spence, Megan

    2006-03-01

    Anisotropic interactions like dipolar couplings and chemical shift anisotropy have long offered solid-state NMR spectroscopists valuable structural information. Recently, solution-state NMR structural studies have begun to exploit residual dipolar couplings of biological molecules in weakly anisotropic solutions. These residual couplings are about 0.1% of the coupling magnitudes observed in the solid state, allowing simple, high-resolution NMR spectra to be retained. In this work, we examine the membrane-associated opioid, leucine enkephalin (lenk), in which the ordering is ten times larger than that for residual dipolar coupling experiments, requiring a combination of solution-state and solid-state NMR techniques. We adapted conventional solid-state NMR techniques like adiabatic cross- polarization and REDOR for use with such a system, and measured small amide bond dipolar couplings in order to determine the orientation of the amide bonds (and therefore the peptide) with respect to the membrane surface. However, the couplings measured indicate large structural rearrangements on the surface and contradict the published structures obtained by NOESY constraints, a reminder that such methods are of limited use in the presence of large-scale dynamics.

  19. Free energy of dipolar hard spheres: The virial expansion under the presence of an external magnetic field

    NASA Astrophysics Data System (ADS)

    Elfimova, Ekaterina A.; Karavaeva, Tatyana E.; Ivanov, Alexey O.

    2014-12-01

    A method for calculation of the free energy of dipolar hard spheres under the presence of an applied magnetic field is presented. The method is based on the virial expansion in terms of density as well as the dipolar coupling constant λ, and it uses diagram technique. The formulas and the diagrams, needed to calculate the second B2 and third B3 virial coefficients, are derived up to the order of ˜λ3, and compared to the zero-field case. The formula for B2 is the same as in the zero-field case; the formula for B3, however, is different in an applied field, and a derivation is presented. This is a surprising result which is not emphasized in standard texts, but which has been noticed before in the virial expansion for flexible molecules (Caracciolo et al., 2006; Caracciolo et al., 2008). To verify the correctness of the obtained formulas, B2 and B3 were calculated within the accuracy of λ2, which were applied to initial magnetic susceptibility. The obtained expression fully coincides with the well-known theories (Morozov and Lebedev, 1990; Huke and Lücke, 2000; Ivanov and Kuznetsova, 2001), which used different methods to calculate the initial magnetic susceptibility.

  20. Long-lived selective spin echoes in dipolar solids under periodic and aperiodic π-pulse trains

    NASA Astrophysics Data System (ADS)

    Ridge, Clark D.; O'Donnell, Lauren F.; Walls, Jamie D.

    2014-01-01

    The application of Carr-Purcell-Meiboom-Gill (CPMG) π trains for dynamically decoupling a system from its environment has been extensively studied in a variety of physical systems. When applied to dipolar solids, recent experiments have demonstrated that CPMG pulse trains can generate long-lived spin echoes. In this work, we develop a theory to describe the spin dynamics in a dipolar coupled spin-1/2 system under a CPMG(ϕ1,ϕ2) pulse train, where ϕ1 and ϕ2 are the phases of the π pulses. From our theoretical framework, the propagator for the CPMG(ϕ1,ϕ2) pulse train is equivalent to an effective "pulsed" spin locking of single-quantum coherences with phase ± ϕ2-3/ϕ1/2, which generates a periodic quasiequilibrium that corresponds to the long-lived echoes. Numerical simulations, along with experiments on both magnetically dilute, random spin networks found in C60 and C70 and in nondilute spin systems found in adamantane and ferrocene, were performed and confirm the predictions from the proposed theory.

  1. An EPR method for probing surface magnetic fields, dipolar distances, and magnetization fluctuations in single molecule magnets.

    PubMed

    Rakvin, B; Zilić, D; Dalal, N S; North, J M; Cevc, P; Arcon, D; Zadro, K

    2004-05-01

    We outline a spectroscopic method for probing the effective magnetic field B on the surface of crystals of the single molecule magnet (SMM) [(C6H15N3)6Fe8(mu3-O)2(mu2-OH)12]Br7(H2O)Br.H2O, (Fe8Br8). This technique utilizes the line shape changes in the EPR spectra of the organic radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) (g = 2.0036, single peak) adsorbed onto the sample. The temperature dependence of the EPR line shifts scale with the sample's magnetization as measured by a SQUID magnetometer. Analysis of the line shape in terms of dipolar coupling between the DPPH and the SMM molecules on the surface, yields their average dipolar distance. The method's potential for measuring the magnetization fluctuation dynamics is briefly pointed out using the SMM [Mn12O12(CH3COO)16(H2O)4].2CH3COOH.4H2O (Mn12-acetate). PMID:15134721

  2. An EPR method for probing surface magnetic fields, dipolar distances, and magnetization fluctuations in single molecule magnets

    NASA Astrophysics Data System (ADS)

    Rakvin, B.; Žilić, D.; Dalal, N. S.; North, J. M.; Cevc, P.; Arčon, D.; Zadro, K.

    2004-05-01

    We outline a spectroscopic method for probing the effective magnetic field B on the surface of crystals of the single molecule magnet (SMM) [(C 6H 15N 3) 6Fe 8(μ 3-O) 2(μ 2-OH) 12]Br 7(H 2O)Br·H 2O, (Fe 8Br 8). This technique utilizes the line shape changes in the EPR spectra of the organic radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) ( g=2.0036, single peak) adsorbed onto the sample. The temperature dependence of the EPR line shifts scale with the sample's magnetization as measured by a SQUID magnetometer. Analysis of the line shape in terms of dipolar coupling between the DPPH and the SMM molecules on the surface, yields their average dipolar distance. The method's potential for measuring the magnetization fluctuation dynamics is briefly pointed out using the SMM [Mn 12O 12(CH 3COO) 16(H 2O) 4]·2CH 3COOH·4H 2O (Mn 12-acetate).

  3. Shielding ultracold dipolar molecular collisions with electric fields

    NASA Astrophysics Data System (ADS)

    Quéméner, Goulven; Bohn, John

    2016-05-01

    The prospect for shielding ultracold dipolar molecules from inelastic and reactive collisions is investigated. Molecules placed in their first rotationally excited states are found to exhibit effective long-range repulsion for applied electric fields above a certain critical value. This repulsion can safely allow the molecules to scatter while reducing the risk of inelastic or chemically reactive collisions. Several molecular species of molecules of experimental interest such as NaRb, NaK, RbSr, SrF, BaF, and YO, are considered and all are shown to exhibit orders of magnitude suppression in quenching rates in a sufficiently strong laboratory electric field. We acknowledge the financial support of the COPOMOL project (ANR-13-IS04-0004) from Agence Nationale de la Recherche and the ARO MURI Grant No. W911NF-12-1-0476.

  4. CHARGED TORI IN SPHERICAL GRAVITATIONAL AND DIPOLAR MAGNETIC FIELDS

    SciTech Connect

    Slany, P.; Kovar, J.; Stuchlik, Z.; Karas, V.

    2013-03-01

    A Newtonian model of non-conductive, charged, perfect fluid tori orbiting in combined spherical gravitational and dipolar magnetic fields is presented and stationary, axisymmetric toroidal structures are analyzed. Matter in such tori exhibits a purely circulatory motion and the resulting convection carries charges into permanent rotation around the symmetry axis. As a main result, we demonstrate the possible existence of off-equatorial charged tori and equatorial tori with cusps that also enable outflows of matter from the torus in the Newtonian regime. These phenomena qualitatively represent a new consequence of the interplay between gravity and electromagnetism. From an astrophysical point of view, our investigation can provide insight into processes that determine the vertical structure of dusty tori surrounding accretion disks.

  5. Collisional effects in the dynamics of a dipolar gas

    NASA Astrophysics Data System (ADS)

    Sykes, Andrew

    2016-05-01

    In this talk, we discuss the role of collisions in dipolar gases which are far from equilibrium. We compare and contrast collisional mechanisms with mean-field effects. We consider several cases of dynamical behaviour. We begin with cross-dimensional relaxation, where the time-scale of equilibration is studied following a quench in the trap parameters. We also discuss the damping of monopole and quadrupole excitations. Finally we discuss time-of-flight expansion dynamics. Our results demonstrate that collisions can play a significant role. We use these results to extract an estimate of the deca-heptuplet s-partial-wave scattering length of bosonic dysprosium, and to improve the accuracy of experimental time-of-flight expansion imaging. Financial support from the Marie Sklodowska-Curie H2020 framework program.

  6. Fragmentation of magnetism in artificial kagome dipolar spin ice

    PubMed Central

    Canals, Benjamin; Chioar, Ioan-Augustin; Nguyen, Van-Dai; Hehn, Michel; Lacour, Daniel; Montaigne, François; Locatelli, Andrea; Menteş, Tevfik Onur; Burgos, Benito Santos; Rougemaille, Nicolas

    2016-01-01

    Geometrical frustration in magnetic materials often gives rise to exotic, low-temperature states of matter, such as the ones observed in spin ices. Here we report the imaging of the magnetic states of a thermally active artificial magnetic ice that reveal the fingerprints of a spin fragmentation process. This fragmentation corresponds to a splitting of the magnetic degree of freedom into two channels and is evidenced in both real and reciprocal space. Furthermore, the internal organization of both channels is interpreted within the framework of a hybrid spin–charge model that directly emerges from the parent spin model of the kagome dipolar spin ice. Our experimental and theoretical results provide insights into the physics of frustrated magnets and deepen our understanding of emergent fields through the use of tailor-made magnetism. PMID:27173154

  7. Plasmonic Toroidal Dipolar Response under Radially Polarized Excitation.

    PubMed

    Bao, Yanjun; Zhu, Xing; Fang, Zheyu

    2015-01-01

    Plasmonic toroidal resonance has attracted growing interests because of its low loss electromagnetic properties and potential high sensitive nanophotonic applications. However, the realization in a metamaterial requires three-dimensional complicated structural design so far. In this paper, we design a simple metal-dielectric-metal (MIM) sandwich nanostructure, which exhibits a strong toroidal dipolar resonance under radially polarized excitation. The toroidal dipole moment as the dominant contribution for the scattering is demonstrated by the mirror-image method and further analyzed by Lagrangian hybridization model. The proposed toroidal configuration also shows a highly tolerant for misalignment between the structure center and the incident light focus. Our study proves the way for the toroidal plasmonic application with the cylindrical vector beams. PMID:26114966

  8. Effective anchoring energy in dipolar organic film on metals surfaces

    NASA Astrophysics Data System (ADS)

    Iwamoto, Mitsumasa; Zakharov, A. V.

    2007-04-01

    The influence of electron injection from the metal electrode into organic liquid crystal dipolar film on the effective anchoring energy (EAE) of the polar organic film is discussed from the energy point of view. It is shown that the accounting for the injected carrier in organic film results in a polynomial function for the EAE expanded up to the fourth order in cos θs, where θs is the polar angle of the director nˆ at the film/metal interface. It is also shown that in a certain range of the location of centroid of the injected carrier z¯ the destabilizing surface polarization mechanism may lead to destruction of the linear anchoring strength coefficient w1. The strong influence of z¯ on the quadratic term w2 also has been demonstrated.

  9. Plasmonic Toroidal Dipolar Response under Radially Polarized Excitation

    PubMed Central

    Bao, Yanjun; Zhu, Xing; Fang, Zheyu

    2015-01-01

    Plasmonic toroidal resonance has attracted growing interests because of its low loss electromagnetic properties and potential high sensitive nanophotonic applications. However, the realization in a metamaterial requires three-dimensional complicated structural design so far. In this paper, we design a simple metal-dielectric-metal (MIM) sandwich nanostructure, which exhibits a strong toroidal dipolar resonance under radially polarized excitation. The toroidal dipole moment as the dominant contribution for the scattering is demonstrated by the mirror-image method and further analyzed by Lagrangian hybridization model. The proposed toroidal configuration also shows a highly tolerant for misalignment between the structure center and the incident light focus. Our study proves the way for the toroidal plasmonic application with the cylindrical vector beams. PMID:26114966

  10. Dipolar Physics in an Erbium Quantum Gas Microscope

    NASA Astrophysics Data System (ADS)

    Hebert, Anne; Krahn, Aaron; Phelps, Gregory; Dickerson, Susannah; Greiner, Markus; Erbium Lab Team

    2016-05-01

    Erbium offers exciting possibilities for extending the single-site imaging work of current quantum gas microscopes. With a magnetic dipole moment of 7μB, the dipole-dipole interaction of erbium is 50 times that of alkali atoms. The long-range and anisotropic nature of the dipole interaction adds richness to the short-range interactions that dominate the physics of the ground-state alkali atoms commonly used in ultracold experiments today. Erbium has several abundant isotopes, giving the added flexibility of studying both bosonic and fermionic systems. We present proposed avenues of research for the dipolar microscope being developed, including studies of magnetism, the Einstein-de Haas effect, and quantum phase transitions with fractional filling factors.

  11. Properties of a dipolar condensate with three-body interactions

    NASA Astrophysics Data System (ADS)

    Blakie, Peter

    2016-05-01

    We discuss the properties of a harmonically trapped dilute dipolar condensate with a short ranged conservative three-body interaction. We show that this system supports two distinct fluid states: a usual condensate state and a self-cohering droplet state. We develop a simple model to quantify the energetics of these states, which we verify with full numerical calculations. Based on our simple model we develop a phase diagram showing that there is a first order phase transition between the states. Using dynamical simulations we explore the phase transition dynamics, revealing that the droplet crystal observed in previous work is an excited state that arises from heating as the system crosses the phase transition. Utilising our phase diagram we show it is feasible to produce a single droplet by dynamically adjusting the confining potential. We acknowledge support from the Marsden Fund of New Zealand.

  12. Fragmentation of magnetism in artificial kagome dipolar spin ice.

    PubMed

    Canals, Benjamin; Chioar, Ioan-Augustin; Nguyen, Van-Dai; Hehn, Michel; Lacour, Daniel; Montaigne, François; Locatelli, Andrea; Menteş, Tevfik Onur; Burgos, Benito Santos; Rougemaille, Nicolas

    2016-01-01

    Geometrical frustration in magnetic materials often gives rise to exotic, low-temperature states of matter, such as the ones observed in spin ices. Here we report the imaging of the magnetic states of a thermally active artificial magnetic ice that reveal the fingerprints of a spin fragmentation process. This fragmentation corresponds to a splitting of the magnetic degree of freedom into two channels and is evidenced in both real and reciprocal space. Furthermore, the internal organization of both channels is interpreted within the framework of a hybrid spin-charge model that directly emerges from the parent spin model of the kagome dipolar spin ice. Our experimental and theoretical results provide insights into the physics of frustrated magnets and deepen our understanding of emergent fields through the use of tailor-made magnetism. PMID:27173154

  13. Fragmentation of magnetism in artificial kagome dipolar spin ice

    NASA Astrophysics Data System (ADS)

    Canals, Benjamin; Chioar, Ioan-Augustin; Nguyen, Van-Dai; Hehn, Michel; Lacour, Daniel; Montaigne, François; Locatelli, Andrea; Menteş, Tevfik Onur; Burgos, Benito Santos; Rougemaille, Nicolas

    2016-05-01

    Geometrical frustration in magnetic materials often gives rise to exotic, low-temperature states of matter, such as the ones observed in spin ices. Here we report the imaging of the magnetic states of a thermally active artificial magnetic ice that reveal the fingerprints of a spin fragmentation process. This fragmentation corresponds to a splitting of the magnetic degree of freedom into two channels and is evidenced in both real and reciprocal space. Furthermore, the internal organization of both channels is interpreted within the framework of a hybrid spin-charge model that directly emerges from the parent spin model of the kagome dipolar spin ice. Our experimental and theoretical results provide insights into the physics of frustrated magnets and deepen our understanding of emergent fields through the use of tailor-made magnetism.

  14. Spontaneous inhomogeneous phases in ultracold dipolar Fermi gases

    SciTech Connect

    Sun Kai; Das Sarma, S.; Wu Congjun

    2010-08-15

    We study the collapse of ultracold fermionic gases into inhomogeneous states due to strong dipolar interaction in both two-dimensions (2D) and three-dimensions (3D). Depending on the dimensionality, we find that two different types of inhomogeneous states are stabilized once the dipole moment reaches a critical value d>d{sub c}: the stripe phase and phase separation between high and low densities. In 2D, we prove that the stripe phase is always favored for d > or approx. d{sub c}, regardless of the microscopic details of the system. In 3D, the one-loop perturbative calculation suggests that the same type of instability leads to phase separation. Experimental detection and finite-temperature effects are discussed.

  15. Observations of magnetic field dipolarization during auroral substorm onset

    NASA Astrophysics Data System (ADS)

    Frank, L. A.; Paterson, W. R.; Sigwarth, J. B.; Kokubun, S.

    2000-07-01

    The dynamical behavior of plasmas and magnetic fields in the vicinity of the equatorial crossing of magnetic field lines threading the onset auroral arc is examined for two substorms on November 26, 1997. The locations of the initial brightenings of the auroral arcs were determined with the cameras for visible and far-ultraviolet wavelengths on board the Polar spacecraft. The equatorial positions of the field lines were in the range of radial distances of 8-12RE as computed with models of Earth's global magnetic field. The radial distance of the Geotail spacecraft was 14 RE at a position in the premidnight sector that was 2RE below the current sheet. This spacecraft was embedded in a low-β plasma that was located adjacent to the central hot plasma sheet. For the first substorm, with onset at 1310 UT, no substantial effect was observed in the plasmas and magnetic fields, although the Geotail spacecraft was located only about 2 hours in magnetic local time from the field lines threading the onset auroral arc. For the second substorm onset, at 1354 UT, the spacecraft was positioned within tens of minutes in local time of the position of the magnetic field lines threading the onset auroral arc. This fortuitous spacecraft position in the relatively quiescent plasma and magnetic fields adjacent to the central plasma sheet and within several Earth radii of the position of the onset mechanism allowed determination of the beginning time of the dipolarization of the magnetic fields. This time was simultaneous with the onset brightening of the auroral arc within the approximately 1-min time resolution of the auroral images. The simultaneity of the initial brightening of the auroral arc and of the initiation of the dipolarization of the magnetic field, presumably due to diversion of current from the equatorial current sheet to the ionosphere, provides an important guideline for global dynamical MHD models of Earth's magnetosphere.

  16. Two states of magnetotail dipolarization fronts: A statistical study

    PubMed Central

    Schmid, D; Nakamura, R; Plaschke, F; Volwerk, M; Baumjohann, W

    2015-01-01

    We study the ion density and temperature in the predipolarization and postdipolarization plasma sheets in the Earth's magnetotail using 9 years (2001–2009) of Cluster data. For our study we selected cases when Cluster observed dipolarization fronts (DFs) with an earthward plasma flow greater than 150km/s. We perform a statistical study of the temperature and density variations during the DF crossings. Earlier studies concluded that on average, the temperature increases while the density decreases across the DF. Our statistical results show a more diverse picture: While ∼54% of the DFs follow this pattern (category A), for ∼28% the temperature decreases while the density increases across the DF (category B). We found an overall decrease in thermal pressure for category A DFs with a more pronounced decrease at the DF duskside, while DFs of category B showed no clear pattern in the pressure change. Both categories are associated with earthward plasma flows but with some difference: (1) category A flows are faster than category B flows, (2) the observations indicate that category B flows are directed perpendicular to the current in the near-Earth current sheet while category A flows are tilted slightly duskward from this direction, and (3) the background Bz of category B is higher than that of category A. Based on these results, we hypothesize that after reconnection takes place, a bursty bulk flow emerges with category A characteristics, and as it travels earthward, it further evolves into category B characteristics, which is in a more dipolarized region with slower plasma flow (closer to the flow-braking region). PMID:26167443

  17. Evolution of dipolarization fronts observed by Cluster and MMS

    NASA Astrophysics Data System (ADS)

    Schmid, Daniel; Nakamura, Rumi; Plaschke, Ferdinand; Volwerk, Martin; Narita, Yasuhito; Baumjohann, Wolfgang; Magnes, Werner; Fischer, David; Tobert, Roy; Russel, Christopher T.; Strangeway, Robert J.; Leinweber, Hannes; Bormund, Kenneth; Anderson, Brian J.; Le, Guan; Chutter, Mark; Slavin, James A.; Kepko, Larry; Moldwin, Mark; LeContel, Oliver

    2016-04-01

    Dipolarization fronts (DFs) are characterized by a rapid increase in the northward magnetic field component (B_z) and play a crucial role in the energy and magnetic flux transport in the magnetotail. Multispacecraft observations of DFs in a large portion of the magnetotail by e.g. Geotail, Cluster and THEMIS have been reported for over three decades. During the commissioning phase of MMS the spacecraft observed DFs in a string of pearl configuration at radial distances within 12 Re, and hence events within the flow braking region are also included. We present a statistical study of DFs, using magnetic field data from both MMS and Cluster at radial distances between 12-20 Re and interspacecraft distances less than 200 km.The amplitude of the DFs observed by MMS is larger compared to similar events observed by Cluster further down the tail as expected from flow braking. Both spacecraft flotillas found that DFs with velocities greater than 100 km/s are observed when the field is in a more dipolar field configuration (higher average B_z), are temporally shorter and spatially larger, compared to slow propagating DFs (velocities smaller than 100 km/s). This relationship between velocity and Bz indicates a higher flux transport rate when the ambient Bz is larger and is not expected when the flow is simply stopping in a near-Earth dipole region. It suggest rather that the flow with high flux transport rate causes an enhanced magnetic flux pileup ahead of the front or importance of additional processes such as rebound (bouncing) of the DF at the magnetic dipole-dominated near-Earth plasma sheet.

  18. Tight Coupling of Metabolic Oscillations and Intracellular Water Dynamics in Saccharomyces cerevisiae

    PubMed Central

    Thoke, Henrik Seir; Tobiesen, Asger; Brewer, Jonathan; Hansen, Per Lyngs; Stock, Roberto P.; Olsen, Lars F.; Bagatolli, Luis A.

    2015-01-01

    We detected very strong coupling between the oscillating concentration of ATP and the dynamics of intracellular water during glycolysis in Saccharomyces cerevisiae. Our results indicate that: i) dipolar relaxation of intracellular water is heterogeneous within the cell and different from dilute conditions, ii) water dipolar relaxation oscillates with glycolysis and in phase with ATP concentration, iii) this phenomenon is scale-invariant from the subcellular to the ensemble of synchronized cells and, iv) the periodicity of both glycolytic oscillations and dipolar relaxation are equally affected by D2O in a dose-dependent manner. These results offer a new insight into the coupling of an emergent intensive physicochemical property of the cell, i.e. cell-wide water dipolar relaxation, and a central metabolite (ATP) produced by a robustly oscillating metabolic process. PMID:25705902

  19. Fermion production in dipolar electric field on de Sitter expanding universe

    NASA Astrophysics Data System (ADS)

    Bǎloi, Mihaela-Andreea; Crucean, Cosmin

    2015-12-01

    The production of fermions in dipolar electric fields on de Sitter universe is studied. The amplitude and probability of pair production are computed using the exact solution of the Dirac equation in de Sitter spacetime. The form of the dipolar fields is established using the conformal invariance of the Maxwell equations. We obtain that the momentum conservation law is broken in the process of pair production in dipolar electric fields. Also we establish that there are nonvanishing probabilities for processes in which the helicity is conserved/nonconserved. The Minkowski limit is recovered when the expansion factor becomes zero.

  20. Fermion production in dipolar electric field on de Sitter expanding universe

    SciTech Connect

    Băloi, Mihaela-Andreea Crucean, Cosmin

    2015-12-07

    The production of fermions in dipolar electric fields on de Sitter universe is studied. The amplitude and probability of pair production are computed using the exact solution of the Dirac equation in de Sitter spacetime. The form of the dipolar fields is established using the conformal invariance of the Maxwell equations. We obtain that the momentum conservation law is broken in the process of pair production in dipolar electric fields. Also we establish that there are nonvanishing probabilities for processes in which the helicity is conserved/nonconserved. The Minkowski limit is recovered when the expansion factor becomes zero.

  1. Van Allen Probes observations of dipolarization and its associated O+ flux variations in the inner magnetosphere

    NASA Astrophysics Data System (ADS)

    Nose, M.; Keika, K.; Kletzing, C.; Smith, C. W.; MacDowall, R. J.; Reeves, G. D.; Spence, H. E.

    2015-12-01

    Recent study employing the MDS-1 satellite reveals that magnetic field dipolarization in the deep inner magnetosphere is not unusual. When the MDS-1 satellite was located at L=3.5-5.0 near the auroral onset longitude (MLT difference of ≤2.5 h), the occurrence probability of local dipolarization was about 16%. Surprisingly, an event was found at L~3.6, far inside the geosynchronous altitude. It was also shown that after the dipolarization, the oxygen ENA flux in the nightside ring current region measured by the IMAGE satellite was predominantly enhanced by a factor of 2-5 and stayed at an enhanced level for more than 1 h, while clear enhancement was scarcely seen in the hydrogen ENA flux. To better understand mechanisms of the selective acceleration of O+ ions during dipolarization, an in-situ measurement of ion fluxes is needed. However, there are few studies investigating H+ and O+ flux variations during dipolarization in the deep inner magnetosphere. In this study we investigate magnetic field dipolarization and its associated ion flux variations in the deep inner magnetosphere, using magnetic field and ion flux data obtained by the Van Allen Probes. From the magnetic field data recorded on the nightside (1800-0600 MLT) in the inner magnetosphere (L=3.0-6.6) in VDH coordinates, we select substorm-related dipolarization events in which the H component increases by more than 20 nT and the absolute value of the V component decreases by more than 8 nT in 5 minutes. About 150 dipolarization events are identified from 1 October 2012 to 30 June 2015. We find that the dipolarization mostly occurs at L=4.5-6.5 in the premidnight sector (2100-0000 MLT). No events are found at L<4.0. Some dipolarization events are accompanied by O+ flux enhancements in the energy range higher than a few keV, which have the pitch angle distribution peaked around 45 or 135 degrees. We also find that low energy O+ ions often appear after dipolarization with an energy dispersion starting from

  2. Symmetry break in ferromagnetic electrocrystallization: the interplay between dipolar interactions and Laplacian growth

    NASA Astrophysics Data System (ADS)

    Alves, S. G.; Braga, F. L.; Martins, M. L.

    2007-10-01

    Electrochemical ferromagnetic deposits grown under a planar magnetic field exhibit a striking morphological symmetry breaking. The present paper demonstrate through two-dimensional off-lattice simulations of an extended diffusion-limited aggregation (DLA) model that the competition between magnetic dipolar interactions and electric forces can impose locally the experimentally observed angle selection in a two-dimensional extended DLA model. The long-range correlations in the orientation of dipoles interacting with the applied and dipolar fields preserve this order over a macroscopic scale. Hence, the magnetic dipolar interactions alone cannot impose the field-induced symmetry breaking observed in ferromagnetic electrochemical deposition (ECD).

  3. The influence of dimensionality on the behavior of magnetic dipolar soft spheres: calculation of the pressure.

    PubMed

    Minina, E; Kantorovich, S

    2013-04-17

    We investigate the influence of dimensionality of a sample on the properties of magnetic dipolar soft spheres. Molecular dynamics simulations and diagram expansion are employed to analyze the pressure and microscopic structure of model monodisperse magnetic fluids in a bulk and in a monolayer. We found that, for a broad range of densities and dipolar interaction strengths, strong geometrical confinement weakens the influence of the dipole-dipole interaction on the pressure and, as a result, steric repulsion of dipolar particles provides the main contribution to the thermodynamic properties of ferrofluids in strong confinement. PMID:23515201

  4. Ground states of dipolar gases in quasi-one-dimensional ring traps

    SciTech Connect

    Zoellner, Sascha

    2011-12-15

    We compute the ground state of dipoles in a quasi-one-dimensional ring trap using few-body techniques combined with analytical arguments. The effective interaction between two dipoles depends on their center-of-mass coordinate and can be tuned by varying the angle between dipoles and the plane of the ring. For sufficiently weak interactions, the state resembles a weakly interacting Fermi gas or a (inhomogeneous) Lieb-Liniger gas. A mapping between the Lieb-Liniger-gas parameters and the dipolar-gas parameters in and beyond the Born approximation is established, and we discuss the effect of inhomogeneities based on a local-density approximation. For strongly repulsive interactions, the system exhibits a crystal-like localization of the particles. Their inhomogeneous distribution may be understood in terms of a simple few-body model as well as a local-density approximation. In the case of partially attractive interactions, clustered states form for sufficiently strong coupling, and the dependence of the state on particle number and orientation angle of the dipoles is discussed analytically.

  5. Exploring the stability and dynamics of dipolar matter-wave dark solitons

    NASA Astrophysics Data System (ADS)

    Edmonds, M. J.; Bland, T.; O'Dell, D. H. J.; Parker, N. G.

    2016-06-01

    We study the stability, form, and interaction of single and multiple dark solitons in quasi-one-dimensional dipolar Bose-Einstein condensates. The solitons are found numerically as stationary solutions in the moving frame of a nonlocal Gross Pitaevskii equation and characterized as a function of the key experimental parameters, namely the ratio of the dipolar atomic interactions to the van der Waals interactions, the polarization angle, and the condensate width. The solutions and their integrals of motion are strongly affected by the phonon and roton instabilities of the system. Dipolar matter-wave dark solitons propagate without dispersion and collide elastically away from these instabilities, with the dipolar interactions contributing an additional repulsion or attraction to the soliton-soliton interaction. However, close to the instabilities, the collisions are weakly dissipative.

  6. Relationship Between Dipolarizations and Energetic Particle Injections in Earth's Inner Magnetosphere

    NASA Astrophysics Data System (ADS)

    Hartline, C. J.; Gkioulidou, M.; Ohtani, S.; Ukhorskiy, A. Y.; Takahashi, K.; Mitchell, D. G.; Lanzerotti, L. J.

    2015-12-01

    Energetic particle injections in Earth's magnetotail are associated with sharp dipolarizations of magnetic field, which are often referred to as dipolarization fronts. Particle experiments of the Van Allen Probes missions observed multiple energetic particle injection signatures inside the geosynchronous orbit, which resemble particle injections in the magnetotail. It is not evident, however, whether these events are attributed to the magnetic field dipolarizations considering how strong the background magnetic field is. Similar signatures could be attributed to the boundary crossings, i.e., when the spacecraft are crossing from the inner magnetosphere into the plasma sheet. To investigate the nature of the injection-like events observed by Van Allen Probes in the inner magnetosphere we first identify them with the use of the energetic particle measurements from the RBSPICE experiment. We then explore their relationship to the magnetic field dipolarizations and boundary crossings by examining the magnetic field data from the EMFISIS instrument.

  7. ac susceptibility of an assembly of nanomagnets: Combined effects of surface anisotropy and dipolar interactions

    NASA Astrophysics Data System (ADS)

    Vernay, F.; Sabsabi, Z.; Kachkachi, H.

    2014-09-01

    We compute the ac susceptibility of a weakly dipolar-interacting monodisperse assembly of magnetic nanoclusters with oriented anisotropy. For this purpose, we first compute the relaxation rate in a longitudinal magnetic field of a single nanomagnet taking account of both dipolar interactions in the case of dilute assemblies and surface anisotropy. We then study the behavior of the real and imaginary components of the ac susceptibility as functions of temperature, frequency, surface anisotropy, and interparticle interactions. We find that the surface anisotropy induces an upward shift of the temperature at the maximum of the ac susceptibility components and that its effects may be tuned so as to screen out the effects of interactions. The phenomenological Vogel-Fulcher law for the effect of dipolar interaction on the relaxation rate is revisited within our formalism and a semianalytical expression is given for the effective temperature in terms of inter alia the applied field, surface anisotropy, and dipolar interaction.

  8. Contribution of ion reflection to the energy budgets of dipolarization fronts

    NASA Astrophysics Data System (ADS)

    Li, Jia-Zheng; Zhou, Xu-Zhi; Angelopoulos, Vassilis; Liu, Jiang; Runov, Andrei; Pan, Dong-Xiao; Zong, Qiu-Gang

    2016-01-01

    Dipolarization fronts, earthward propagating structures in the Earth's magnetotail characterized by sharp enhancements of the northward magnetic field, are important sites of energy conversion from electromagnetic to particle energy. The large energy conversion rate observed at these fronts suggests significant particle acceleration and heating, which powers the ambient current sheet to generate plasma flows in the magnetotail plasma sheet and its boundary layer. Using a simple model of ion reflection at the dipolarization front, we estimate ion energy enhancement in the ambient plasma sheet and find it to be comparable with typical electromagnetic energy converted at the front. Validated by dipolarization front statistics from THEMIS (Time History of Events and Macroscale Interactions during Substorms) observations, this result suggests the important contribution of ion reflection to the energy budgets of dipolarization fronts during their earthward propagation.

  9. Analytic results for the population dynamics of a driven dipolar molecular system

    NASA Astrophysics Data System (ADS)

    Zhang, Wen-Jing; Jin, Kang; Jin, Lu-Ling; Xie, Xiao-Tao

    2016-04-01

    We theoretically investigate the dipolar molecular system driven by monochromatic periodic, linear, parabolic, and sech2 forms external fields, respectively. The two-level Hamiltonian model with nonzero diagonal dipole matrix elements is adopted to describe the population dynamics of the driven dipolar molecule, and the corresponding exact solutions are presented in terms of the confluent Heun equations without the generalized rotating-wave approximation. The analytic solutions derived here are valid in the whole parameter space.

  10. Dipole method for incompressible flows and its test calculation of time evolution of a dipolar vortex

    NASA Astrophysics Data System (ADS)

    Matsumoto, Yuko; Ueno, Kazuyuki

    2006-11-01

    A new numerical method to calculate an incompressible flow, a dipole method, is proposed. In the dipole method, a flow field is represented by superposition of many dipolar vortices, and these dipolar vortices are replaced ``dipole elements.'' The dipole elements move in fluid. Each dipole element is characterized by two variables, dipole moment and core radius. The dipole moment is a vector quantity whose direction is the same as the axis of the dipolar vortex. The core radius is an effective radius of rotational flow region of the dipolar vortex. These variables, changed with time, are determined by the momentum conservation law where the flow around the dipolar vortex is assumed to be irrotational. This dipole element has a self-induced velocity. Time evolutions of a dipolar vortex in two cases of background flows are simulated, the first case is a strain flow, and the second one is a rotational flow of the Rankin's vortex. The results of the dipole method are compared to numerical simulations using the vortex method with the same initial condition.

  11. The phase transition in the anisotropic Heisenberg model with long range dipolar interactions

    NASA Astrophysics Data System (ADS)

    Mól, L. A. S.; Costa, B. V.

    2014-03-01

    In this work we have used extensive Monte Carlo calculations to study the planar to paramagnetic phase transition in the two-dimensional anisotropic Heisenberg model with dipolar interactions (AHd) considering the true long-range character of the dipolar interactions by means of the Ewald summation. Our results are consistent with an order-disorder phase transition with unusual critical exponents in agreement with our previous results for the Planar Rotator model with dipolar interactions. Nevertheless, our results disagree with the Renormalization Group results of Maier and Schwabl [Phys. Rev. B, 70, 134430 (2004)] [13] and the results of Rapini et al. [Phys. Rev. B, 75, 014425 (2007)] [12], where the AHd was studied using a cut-off in the evaluation of the dipolar interactions. We argue that besides the long-range character of dipolar interactions their anisotropic character may have a deeper effect in the system than previously believed. Besides, our results show that the use of a cut-off radius in the evaluation of dipolar interactions must be avoided when analyzing the critical behavior of magnetic systems, since it may lead to erroneous results.

  12. Numerical Study of Perturbations in Dipolar Spin Ice

    NASA Astrophysics Data System (ADS)

    Lin, Taoran; Altosaar, Jaan; Henelius, Patrik; Gingras, Michel

    2013-03-01

    Competing interactions in geometrically frustrated magnets can lead to highly degenerate and non-trivially correlated ground states. One topical example, the spin ice compound Dy2Ti2O7, exhibits such a ground state which possesses a Pauling's residual entropy analogous to that of water ice. At temperatures well below the temperature scale set by the frustrated and dominant dipolar interactions, the material displays a classical spin liquid like state. As a result, small perturbations may become significant for the low temperature physics. In this project we consider perturbations from further neighbor interactions and from stuffing impurities in an attempt to account for some of the observed experimental low temperature behaviors. In particular, we determine the third neighbor interactions using Monte Carlo (MC) simulations by fitting to experimental data in a magnetic field near the [112] direction. The effects on the zero-field specific heat due to variation of the exchange parameters are studied using a cumulant method in conjunction with the MC simulations. We also studied the effects of stuffing Dy magnetic ions on the Ti site, which can trigger large variations in the equilibrium value of the specific heat below temperatures of 0.5K.

  13. Quantum dynamics and topological excitations in interacting dipolar particles

    NASA Astrophysics Data System (ADS)

    Rey, Ana

    2016-05-01

    Dipole-dipole interactions, long-range and anisotropic interactions that arise due to the virtual exchange of photons, are of fundamental importance in optical physics, and are enabling a range of new quantum technologies including quantum networks and optical lattice atomic clocks. In this talk I will first discuss how arrays of dipolar particles with a simple J = 0- J = 1 internal level structure can naturally host topological and chiral excitations including Weyl quasi-particles. Weyl fermions were first predicted to exist in the context of high energy physics but only recently have been observed in solid state systems. I will discuss a proposal of using Mott insulators of Sr atoms to observe and probe the Weyl excitation spectrum and its non-trivial chirality. Finally I will report on a recent experiment done at JILA which validates the underlying microscopic model that predicts the existence of these excitations. The experiment measured the collective emission from a coherently driven gas of ultracold 88 Sr atoms and observed a highly directional and anisotropic emission intensity and a substantial broadening of the atomic spectral lines. All of the measurements are well reproduced by the theoretical model. These investigations open the door for the exploration of novel quantum many-body systems involving strongly interacting atoms and photons, and are useful guides for further developments of optical atomic clocks and other applications involving dense atomic ensembles. AFOSR, MURI-AFOSR, ARO,NSF-PHY-1521080, JILA-NSF-PFC-1125844.

  14. Transient Magnetic Reconnection and Dipolarization Fronts in the Terrestrial Magnetotail

    NASA Astrophysics Data System (ADS)

    Zhou, Meng; Deng, Xiaohua; Pang, Ye; Xu, Xiaojun; Huang, Shiyong; Tang, Rongxin; Yuan, Zhigang

    2015-04-01

    We report a Cluster observation of transient magnetic reconnection in the Earth's magnetotail at the location of [Xgsm~ -17.2 RE, Ygsm~ -4.5 RE and Zgsm~ 0]. The reconnection X-line retreated tailward with a speed of 34 km/s based on multi-spacecraft analysis. An ion diffusion region with a weak guide field (~10% of lobe field) was encountered during the flow reversal. A flux rope was embedded in the tailward flow. Transient suprathermal electron beams, which directed away from the X-line, were detected repeatedly around the separatrix region with periods of about 60s during the tailward flow bursts. On the earthward side of X-line, multiple earthward-propagating dipolarization fronts were observed quasi-periodically at the edge of the ion diffusion region with time period of 60s-90s. Particle and wave characteristics also show distinct signatures at different stages of the transient reconnection. The implications of this observation will be discussed.

  15. Rapid acceleration of protons upstream of earthward propagating dipolarization fronts

    PubMed Central

    Ukhorskiy, AY; Sitnov, MI; Merkin, VG; Artemyev, AV

    2013-01-01

    [1] Transport and acceleration of ions in the magnetotail largely occurs in the form of discrete impulsive events associated with a steep increase of the tail magnetic field normal to the neutral plane (Bz), which are referred to as dipolarization fronts. The goal of this paper is to investigate how protons initially located upstream of earthward moving fronts are accelerated at their encounter. According to our analytical analysis and simplified two-dimensional test-particle simulations of equatorially mirroring particles, there are two regimes of proton acceleration: trapping and quasi-trapping, which are realized depending on whether the front is preceded by a negative depletion in Bz. We then use three-dimensional test-particle simulations to investigate how these acceleration processes operate in a realistic magnetotail geometry. For this purpose we construct an analytical model of the front which is superimposed onto the ambient field of the magnetotail. According to our numerical simulations, both trapping and quasi-trapping can produce rapid acceleration of protons by more than an order of magnitude. In the case of trapping, the acceleration levels depend on the amount of time particles stay in phase with the front which is controlled by the magnetic field curvature ahead of the front and the front width. Quasi-trapping does not cause particle scattering out of the equatorial plane. Energization levels in this case are limited by the number of encounters particles have with the front before they get magnetized behind it. PMID:26167430

  16. On the current density reduction ahead of dipolarization fronts

    NASA Astrophysics Data System (ADS)

    Lu, San; Artemyev, A. V.; Angelopoulos, V.; Lu, Quanming; Liu, Jiang

    2016-05-01

    During their earthward propagation, dipolarization fronts (DFs) interact with the ambient plasma sheet on kinetic scales. The interaction region is important to the front's structure, propagation, and regional closure of the current system. However, the physics in this region, especially of its current system, is poorly understood. We present Time History of Events and Macroscale Interactions during Substorms (THEMIS) observations of the interaction region between DFs and the ambient plasma sheet at x ~ - 12 RE downtail; these observations show that the current density ahead of the DFs is significantly reduced near the neutral plane. We use a two-dimensional particle-in-cell model to simulate the current density reduction ahead of DFs and investigate the physical mechanism that causes it: Ion reflection and acceleration at the front cause positive charge density to build up. The resultant electrostatic field, Ez, is directed away from the neutral plane. The positive cross-tail Ez × Bx drift of electrons (which remain magnetized) does not affect demagnetized ions. This electron-ion decoupling results in a dawnward cross-field current carried by electrons that reduces the cross-tail current ahead of the approaching front.

  17. A surprising dipolar cycloaddition provides ready access to aminoglycosides.

    PubMed

    Dahl, Russell S; Finney, Nathaniel S

    2004-07-14

    This contribution describes the results of a new research effort in our laboratory aimed at the synthesis of novel aminoglycosides and amino-C-glycosides. Despite the importance of such compounds, and the previous development of some methodological solutions, this remains an important area of research. Notable features of our approach, which is distinct from and complementary to previous efforts, are the following: (1) Reliance on a surprising and unprecedented formation of glycal triazolines via an inverse electron demand dipolar cycloaddition of glucal. We believe this desirable transformation has not previously been discovered because of the unusual selection of substrates and solvent required. (2) Very mild reaction conditions. An initial thermal cycloaddition is carried out in an inert solvent, the triazoline generated is photochemically converted to a reactive aziridine, and the crude aziridine undergoes ring opening at room temperature in the presence of a nucleophile and a mild Lewis acid catalyst. (3) Formation of products lacking an N-acyl group, allowing ready synthesis of novel glucosamine derivatives. PMID:15237974

  18. Energetic Electrons in Dipolarization Events: Spatial Properties and Anisotropy

    NASA Technical Reports Server (NTRS)

    Birn, J.; Runov, A.; Hesse, M.

    2014-01-01

    Using the electromagnetic fields of an MHD simulation of magnetotail reconnection, flow bursts, and dipolarization, we further investigate the acceleration of electrons to suprathermal energies. Particular emphasis is on spatial properties and anisotropies as functions of energy and time. The simulation results are compared with Time History of Events and Macroscale Interactions during Substorms observations. The test particle approach successfully reproduces several observed injection features and puts them into a context of spatial maps of the injection region(s): a dominance of perpendicular anisotropies farther down the tail and closer to the equatorial plane, an increasing importance of parallel anisotropy closer to Earth and at higher latitudes, a drop in energy fluxes at energies below approximately 10 keV, coinciding with the plasma density drop, together with increases at higher energy, a triple peak structure of flux increases near 0 deg, 90 deg, and 180 deg, and a tendency of flux increases to extend to higher energy closer to Earth and at lower latitudes. We identified the plasma sheet boundary layers and adjacent lobes as a main source region for both increased and decreased energetic electron fluxes, related to the different effects of adiabatic acceleration at high and low energies. The simulated anisotropies tend to exceed the observed ones, particularly for perpendicular fluxes at high energies. The most plausible reason is that the MHD simulation lacks the effects of anisotropy-driven microinstabilities and waves, which would reduce anisotropies.

  19. Pollux: a stable weak dipolar magnetic field but no planet?

    NASA Astrophysics Data System (ADS)

    Aurière, Michel; Konstantinova-Antova, Renada; Espagnet, Olivier; Petit, Pascal; Roudier, Thierry; Charbonnel, Corinne; Donati, Jean-François; Wade, Gregg A.

    2014-08-01

    Pollux is considered as an archetype of a giant star hosting a planet: its radial velocity (RV) presents sinusoidal variations with a period of about 590 d, which have been stable for more than 25 years. Using ESPaDOnS and Narval we have detected a weak (sub-gauss) magnetic field at the surface of Pollux and followed up its variations with Narval during 4.25 years, i.e. more than for two periods of the RV variations. The longitudinal magnetic field is found to vary with a sinusoidal behaviour with a period close to that of the RV variations and with a small shift in phase. We then performed a Zeeman Doppler imaging (ZDI) investigation from the Stokes V and Stokes I least-squares deconvolution (LSD) profiles. A rotational period is determined, which is consistent with the period of variations of the RV. The magnetic topology is found to be mainly poloidal and this component almost purely dipolar. The mean strength of the surface magnetic field is about 0.7 G. As an alternative to the scenario in which Pollux hosts a close-in exoplanet, we suggest that the magnetic dipole of Pollux can be associated with two temperature and macroturbulent velocity spots which could be sufficient to produce the RV variations. We finally investigate the scenarii of the origin of the magnetic field which could explain the observed properties of Pollux.

  20. Dynamical stability of dipolar Bose-Einstein condensates with temporal modulation of the s-wave scattering length.

    PubMed

    Sabari, S; Jisha, Chandroth P; Porsezian, K; Brazhnyi, Valeriy A

    2015-09-01

    We study the stabilization properties of dipolar Bose-Einstein condensate by temporal modulation of short-range two-body interaction. Through both analytical and numerical methods, we analyze the mean-field Gross-Pitaevskii equation with short-range two-body and long-range, nonlocal, dipolar interaction terms. We derive the equation of motion and effective potential of the dipolar condensate by variational method. We show that there is an enhancement of the condensate stability due to the inclusion of dipolar interaction in addition to the two-body contact interaction. We also show that the stability of the dipolar condensate increases in the presence of time varying two-body contact interaction; the temporal modification of the contact interaction prevents the collapse of dipolar Bose-Einstein condensate. Finally we confirm the semi-analytical prediction through the direct numerical simulations of the governing equation. PMID:26465538

  1. Experimental implementation of a quantum random-walk search algorithm using strongly dipolar coupled spins

    SciTech Connect

    Lu Dawei; Peng Xinhua; Du Jiangfeng; Zhu Jing; Zou Ping; Yu Yihua; Zhang Shanmin; Chen Qun

    2010-02-15

    An important quantum search algorithm based on the quantum random walk performs an oracle search on a database of N items with O({radical}(phN)) calls, yielding a speedup similar to the Grover quantum search algorithm. The algorithm was implemented on a quantum information processor of three-qubit liquid-crystal nuclear magnetic resonance (NMR) in the case of finding 1 out of 4, and the diagonal elements' tomography of all the final density matrices was completed with comprehensible one-dimensional NMR spectra. The experimental results agree well with the theoretical predictions.

  2. Ordering, thermal excitations and phase transitions in dipolar coupled mono-domain magnet arrays

    NASA Astrophysics Data System (ADS)

    Kapaklis, Vassilios

    2015-03-01

    Magnetism has provided a fertile test bed for physical models, such as the Heisenberg and Ising models. Most of these investigations have focused on solid materials and relate to their atomic properties such as the atomic magnetic moments and their interactions. Recently, advances in nanotechnology have enabled the controlled patterning of nano-sized magnetic particles, which can be arranged in extended lattices. Tailoring the geometry and the magnetic material of these lattices, the magnetic interactions and magnetization reversal energy barriers can be tuned. This enables interesting interaction schemes to be examined on adjustable length and energy scales. As a result such nano-magnetic systems represent an ideal playground for the study of physical model systems, being facilitated by direct magnetic imaging techniques. One particularly interesting case is that of systems exhibiting frustration, where competing interactions cannot be simultaneously satisfied. This results in a degeneracy of the ground state and intricate thermodynamic properties. An archetypical frustrated physical system is water ice. Similar physics can be mirrored in nano-magnetic arrays, by tuning the arrangement of neighboring magnetic islands, referred to as artificial spin ice. Thermal excitations in such systems resemble magnetic monopoles. In this presentation key concepts related to nano-magnetism and artificial spin ice will be introduced and discussed, along with recent experimental and theoretical developments.

  3. Experimental implementation of a quantum random-walk search algorithm using strongly dipolar coupled spins

    NASA Astrophysics Data System (ADS)

    Lu, Dawei; Zhu, Jing; Zou, Ping; Peng, Xinhua; Yu, Yihua; Zhang, Shanmin; Chen, Qun; Du, Jiangfeng

    2010-02-01

    An important quantum search algorithm based on the quantum random walk performs an oracle search on a database of N items with O(phN) calls, yielding a speedup similar to the Grover quantum search algorithm. The algorithm was implemented on a quantum information processor of three-qubit liquid-crystal nuclear magnetic resonance (NMR) in the case of finding 1 out of 4, and the diagonal elements’ tomography of all the final density matrices was completed with comprehensible one-dimensional NMR spectra. The experimental results agree well with the theoretical predictions.

  4. CH-RES-TOCSY: Enantiomers spectral resolution and measurement of heteronuclear residual dipolar couplings

    NASA Astrophysics Data System (ADS)

    Lokesh, N.; Suryaprakash, N.

    2015-04-01

    A new 2D NMR technique cited as CH-RES-TOCSY, for complete unraveling the spectra of enantiomers and for the measurement of structurally important Csbnd H RDCs is reported. The spectral overlap and complexity of peaks were reduced by the blend of selective excitation and homo-decoupling. Differential values of Csbnd H RDCs of enantiomers (R and S) are exploited to separate the enantiomeric peaks. The complete unraveling of the spectra of both the enantiomers is achieved by incorporating a TOCSY mixing block prior to signal acquisition. The additional application of the method is demonstrated for the assignment of symmetric isomers.

  5. Re-creation of Dipolarization fronts observed by Cluster

    NASA Astrophysics Data System (ADS)

    Wang, Guoqiang; Zhang, Tielong; Volwerk, Martin; Schmid, Daniel

    2016-04-01

    Dipolarization fronts (DFs) are an important structure ahead of busty bulk flows (BBFs) and can accelerate electrons and ions in the plasma sheet, is. The evolution of two DFs, observed by four Cluster satellites, are studied. One DF is observed on 9 July 2002 at ~0417 UT when Cluster is located near [-9.0, -15.0, 4.6] RE in GSM. The inter-satellite separation is ~4000 km, while the ion initial length is ~447 km. C1 and C2 are mainly separated along the X direction, observe similar profiles of BZ. The DF is first observed by C2, and then observed by C1. Interestingly, the front observed by C1 displays wave profiles on the ion initial length scale, which are observed by C2 just ahead of the front. Another DF is observed on 14 September 2004 at ~2042 UT when Cluster is located near [-17.4, 1.8, 0.9] RE. The ion initial length is ~646 km, and the inter-spacecraft separation distance is ~1000 km. The distance between C1, C3 and C4 is less than 500 km along Y direction, and we find that these three satellites observe similar magnetic profiles behind the DF, and a waves with period ~2.5 s ahead of DF. The amplitude of the waves ahead of the DF becomes larger as time increases. This suggests that waves of ion initial length scale ahead of a DF can become larger in amplitude and may re-create the DF, while the previous DF can be found as large magnetic oscillations behind the new DF.

  6. Physics of Substorm Growth Phase, Onset, and Dipolarization

    SciTech Connect

    C.Z. Cheng

    2003-10-22

    A new scenario of substorm growth phase, onset, and depolarization during expansion phase and the corresponding physical processes are presented. During the growth phase, as a result of enhanced plasma convection, the plasma pressure and its gradient are continued to be enhanced over the quiet-time values in the plasma sheet. Toward the late growth phase, a strong cross-tail current sheet is formed in the near-Earth plasma sheet region, where a local magnetic well is formed, the plasma beta can reach a local maximum with value larger than 50 and the cross-tail current density can be enhanced to over 10nA/m{sup 2} as obtained from 3D quasi-static magnetospheric equilibrium solutions for the growth phase. The most unstable kinetic ballooning instabilities (KBI) are expected to be located in the tailward side of the strong cross-tail current sheet region. The field lines in the most unstable KBI region map to the transition region between the region-1 and region-2 currents in the ionosphere, which is consistent with the observed initial brightening location of the breakup arc in the intense proton precipitation region. The KBI explains the AMPTE/CCE observations that a low-frequency instability with a wave period of 50-75 seconds is excited about 2-3 minutes prior to substorm onset and grows exponentially to a large amplitude at the onset of current disruption (or current reduction). At the current disruption onset higher frequency instabilities are excited so that the plasma and electromagnetic field fluctuations form a strong turbulent state. Plasma transport takes place due to the strong turbulence to relax the ambient plasma pressure profile so that the plasma pressure and current density are reduced and the ambient magnetic field intensity increases by more than a factor of 2 in the high-beta(sub)eq region and the field line geometry recovers from tail-like to dipole-like dipolarization.

  7. Oxygen impacts on dipolarization fronts and reconnection rate

    NASA Astrophysics Data System (ADS)

    Liang, Haoming; Ashour-Abdalla, Maha; Lapenta, Giovanni; Walker, Raymond J.

    2016-02-01

    Spacecraft observations near a magnetotail X line show that oxygen (O+) ions are minor species during nonstorm substorms, but they can become major species during some of the storm time substorms. Dipolarization fronts (DFs), which are characterized by a sharp increase northward magnetic field in the magnetotail, are commonly observed during magnetospheric substorms. In this study, we investigated the O+ effects on DFs and the reconnection rate during magnetotail reconnection. We used a 2.5-D implicit particle-in-cell simulation in a 2-D Harris current sheet in the presence of H+ and O+ ions. Simulation runs with equal number densities of O+ and H+ (O+ run) and with pure H+ ion species (H+ run) were performed. Comparing the two different runs, we found that both the reconnection rate and the DF speed in the O+ run were much less than those in the H+ run. By studying the force balance and plasma composition at the DF, we found that the outflow magnetic flux and DF propagation were encumbered by the current sheet O+ inertia, which reduced the DF speed and delayed the reconnection rate in the O+ run. We also found an ambipolar electric field in the O+ run due to the different inflow and outflow speeds of O+ and electrons in the O+ diffusion region. As a result, this ambipolar electric field induced O+ drag on the convective magnetic field in the O+ diffusion region. The small reconnection rate determined in the O+ run can be attributed to the current sheet inertia and the O+ drag on the convective magnetic flux.

  8. Influence of dipolar interactions on the magnetic susceptibility spectra of ferrofluids

    NASA Astrophysics Data System (ADS)

    Sindt, Julien O.; Camp, Philip J.; Kantorovich, Sofia S.; Elfimova, Ekaterina A.; Ivanov, Alexey O.

    2016-06-01

    The frequency-dependent magnetic susceptibility of a ferrofluid is calculated under the assumption that the constituent particles undergo Brownian relaxation only. Brownian-dynamics simulations are carried out in order to test the predictions of a recent theory [A. O. Ivanov, V. S. Zverev, and S. S. Kantorovich, Soft Matter 12, 3507 (2016), 10.1039/C5SM02679B] that includes the effects of interparticle dipole-dipole interactions. The theory is based on the so-called modified mean-field approach and possesses the following important characteristics: in the low-concentration, noninteracting regime, it gives the correct single-particle Debye-theory results; it yields the exact leading-order results in the zero-frequency limit; it includes particle polydispersity correctly from the outset; and it is based on firm theoretical foundations allowing, in principle, systematic extensions to treat stronger interactions and/or higher concentrations. The theory and simulations are compared in the case of a model monodisperse ferrofluid, where the effects of interactions are predicted to be more pronounced than in a polydisperse ferrofluid. The susceptibility spectra are analyzed in detail in terms of the low-frequency behavior, the position of the peak in the imaginary (out-of-phase) part, and the characteristic decay time of the magnetization autocorrelation function. It is demonstrated that the theory correctly predicts the trends in all of these properties with increasing concentration and dipolar coupling constant, the product of which is proportional to the Langevin susceptibility χL. The theory is in quantitative agreement with the simulation results as long as χL≲1 .

  9. Influence of dipolar interactions on the magnetic susceptibility spectra of ferrofluids.

    PubMed

    Sindt, Julien O; Camp, Philip J; Kantorovich, Sofia S; Elfimova, Ekaterina A; Ivanov, Alexey O

    2016-06-01

    The frequency-dependent magnetic susceptibility of a ferrofluid is calculated under the assumption that the constituent particles undergo Brownian relaxation only. Brownian-dynamics simulations are carried out in order to test the predictions of a recent theory [A. O. Ivanov, V. S. Zverev, and S. S. Kantorovich, Soft Matter 12, 3507 (2016)1744-683X10.1039/C5SM02679B] that includes the effects of interparticle dipole-dipole interactions. The theory is based on the so-called modified mean-field approach and possesses the following important characteristics: in the low-concentration, noninteracting regime, it gives the correct single-particle Debye-theory results; it yields the exact leading-order results in the zero-frequency limit; it includes particle polydispersity correctly from the outset; and it is based on firm theoretical foundations allowing, in principle, systematic extensions to treat stronger interactions and/or higher concentrations. The theory and simulations are compared in the case of a model monodisperse ferrofluid, where the effects of interactions are predicted to be more pronounced than in a polydisperse ferrofluid. The susceptibility spectra are analyzed in detail in terms of the low-frequency behavior, the position of the peak in the imaginary (out-of-phase) part, and the characteristic decay time of the magnetization autocorrelation function. It is demonstrated that the theory correctly predicts the trends in all of these properties with increasing concentration and dipolar coupling constant, the product of which is proportional to the Langevin susceptibility χ_{L}. The theory is in quantitative agreement with the simulation results as long as χ_{L}≲1. PMID:27415368

  10. Low temperatures shear viscosity of a two-component dipolar Fermi gas with unequal population

    NASA Astrophysics Data System (ADS)

    Darsheshdar, E.; Yavari, H.; Zangeneh, Z.

    2016-07-01

    By using the Green's functions method and linear response theory we calculate the shear viscosity of a two-component dipolar Fermi gas with population imbalance (spin polarized) in the low temperatures limit. In the strong-coupling Bose-Einstein condensation (BEC) region where a Feshbach resonance gives rise to tightly bound dimer molecules, a spin-polarized Fermi superfluid reduces to a simple Bose-Fermi mixture of Bose-condensed dimers and the leftover unpaired fermions (atoms). The interactions between dimer-atom, dimer-dimer, and atom-atom take into account to the viscous relaxation time (τη) . By evaluating the self-energies in the ladder approximation we determine the relaxation times due to dimer-atom (τDA) , dimer-dimer (τcDD ,τdDD) , and atom-atom (τAA) interactions. We will show that relaxation rates due to these interactions τDA-1 ,τcDD-1, τdDD-1, and τAA-1 have T2, T4, e - E /kB T (E is the spectrum of the dimer atoms), and T 3 / 2 behavior respectively in the low temperature limit (T → 0) and consequently, the atom-atom interaction plays the dominant role in the shear viscosity in this rang of temperatures. For small polarization (τDA ,τAA ≫τcDD ,τdDD), the low temperatures shear viscosity is determined by contact interaction between dimers and the shear viscosity varies as T-5 which has the same behavior as the viscosity of other superfluid systems such as superfluid neutron stars, and liquid helium.

  11. Exotic vortex lattices in a rotating binary dipolar Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Zhang, Xiao-Fei; Wen, Lin; Dai, Cai-Qing; Dong, Rui-Fang; Jiang, Hai-Feng; Chang, Hong; Zhang, Shou-Gang

    2016-01-01

    In the last decade, considerable advances have been made in the investigation of dipolar quantum gases. Previous theoretical investigations of a rotating binary dipolar Bose-Einstein condensate, where only one component possesses dipole moment, were mainly focused on two special orientations of the dipoles: perpendicular or parallel to the plane of motion. Here we study the ground-state and rotational properties of such a system for an arbitrary orientation of the dipoles. We demonstrate the ground-state vortex structures depend strongly on the relative strength between dipolar and contact interactions and the rotation frequency, as well as on the orientation of the dipoles. In the absence of rotation, the tunable dipolar interaction can be used to induce the squeezing or expansion of the cloud, and to derive the phase transition between phase coexistence and separation. Under finite rotation, the system is found to exhibit exotic ground-state vortex configurations, such as kernel-shell, vortex necklace, and compensating stripe vortex structures. We also check the validity of the Feynman relation, and find no significant deviations from it. The obtained results open up alternate ways for the quantum control of dipolar quantum gases.

  12. Exotic vortex lattices in a rotating binary dipolar Bose-Einstein condensate.

    PubMed

    Zhang, Xiao-Fei; Wen, Lin; Dai, Cai-Qing; Dong, Rui-Fang; Jiang, Hai-Feng; Chang, Hong; Zhang, Shou-Gang

    2016-01-01

    In the last decade, considerable advances have been made in the investigation of dipolar quantum gases. Previous theoretical investigations of a rotating binary dipolar Bose-Einstein condensate, where only one component possesses dipole moment, were mainly focused on two special orientations of the dipoles: perpendicular or parallel to the plane of motion. Here we study the ground-state and rotational properties of such a system for an arbitrary orientation of the dipoles. We demonstrate the ground-state vortex structures depend strongly on the relative strength between dipolar and contact interactions and the rotation frequency, as well as on the orientation of the dipoles. In the absence of rotation, the tunable dipolar interaction can be used to induce the squeezing or expansion of the cloud, and to derive the phase transition between phase coexistence and separation. Under finite rotation, the system is found to exhibit exotic ground-state vortex configurations, such as kernel-shell, vortex necklace, and compensating stripe vortex structures. We also check the validity of the Feynman relation, and find no significant deviations from it. The obtained results open up alternate ways for the quantum control of dipolar quantum gases. PMID:26778736

  13. Phase transition in the two-dimensional dipolar planar rotator model

    NASA Astrophysics Data System (ADS)

    Mól, L. A. S.; Costa, B. V.

    2010-02-01

    In this work we have used extensive Monte Carlo simulations and finite size scaling theory to study the phase transition in the dipolar planar rotator model (dPRM), also known as dipolar XY model. The true long-range character of the dipolar interactions was taken into account by using the Ewald summation technique. Our results for the critical exponents do not fit those from known universality classes. We observed that the specific heat is apparently non-divergent and the critical exponents are ν = 1.277(2), β = 0.2065(4) and γ = 2.218(5). The critical temperature was found to be Tc = 1.201(1). Our results are clearly distinct from those of a recent renormalization group study from Maier and Schwabl (2004 Phys. Rev. B 70 134430) and agrees with the results from a previous study of the anisotropic Heisenberg model with dipolar interactions in a bilayer system using a cut-off in the dipolar interactions (Mól and Costa 2009 Phys. Rev. B 79 054404).

  14. Exotic vortex lattices in a rotating binary dipolar Bose-Einstein condensate

    PubMed Central

    Zhang, Xiao-Fei; Wen, Lin; Dai, Cai-Qing; Dong, Rui-Fang; Jiang, Hai-Feng; Chang, Hong; Zhang, Shou-Gang

    2016-01-01

    In the last decade, considerable advances have been made in the investigation of dipolar quantum gases. Previous theoretical investigations of a rotating binary dipolar Bose-Einstein condensate, where only one component possesses dipole moment, were mainly focused on two special orientations of the dipoles: perpendicular or parallel to the plane of motion. Here we study the ground-state and rotational properties of such a system for an arbitrary orientation of the dipoles. We demonstrate the ground-state vortex structures depend strongly on the relative strength between dipolar and contact interactions and the rotation frequency, as well as on the orientation of the dipoles. In the absence of rotation, the tunable dipolar interaction can be used to induce the squeezing or expansion of the cloud, and to derive the phase transition between phase coexistence and separation. Under finite rotation, the system is found to exhibit exotic ground-state vortex configurations, such as kernel-shell, vortex necklace, and compensating stripe vortex structures. We also check the validity of the Feynman relation, and find no significant deviations from it. The obtained results open up alternate ways for the quantum control of dipolar quantum gases. PMID:26778736

  15. Dipolar centers in incipient ferroelectrics: Mn and Fe in KTaO3

    NASA Astrophysics Data System (ADS)

    Venturini, E. L.; Samara, G. A.; Laguta, V. V.; Glinchuk, M. D.; Kondakova, I. V.

    2005-03-01

    The influence of lattice disorder produced by Mn and Fe substitution on the dielectric properties of the incipient ferroelectric KTaO3 were investigated. Both substituents produce dipolar centers that exhibit relaxational behavior in the audio frequency range. At a concentration of 0.01 at. %, i.e., in the very dilute limits, the Mn center is reflected in a dielectric loss ( ∈″ or tanδ ) peak, but not to a measurable degree in the real part (∈') of the dielectric function, but a concentration of 0.3 at. % Mn produces measurable anomalies in both ∈'(T) and the dielectric loss. In the case of Fe, a concentration of 0.3 at. % produces anomalies in the dielectric loss, but not in ∈'(T) . Hydrostatic pressure has a considerable influence on the static and dynamic properties of these materials and provides insights into the physics. The results are discussed in terms of microscopic models for these dipolar centers, and it is shown that all the properties can be understood in terms of the temperature and pressure dependences of the correlation length for dipolar interactions in the highly polarizable KTaO3 host lattice—properties unique to soft ferroelectric mode hosts. A model theory was used to describe the influence of random dipolar fields on the reorientation dynamics. The calculations are found to be in good agreement with the experimental data on the 0.3 % Mn where there are weak dipolar correlations.

  16. Low-frequency wave activity related to dipolarization fronts detected by MMS in the magnetotail

    NASA Astrophysics Data System (ADS)

    Le Contel, O.; Retino, A.; Breuillard, H.; Mirioni, L.; Roux, A.; Chust, T.; Chasapis, A.; Lavraud, B.; Lindqvist, P. A.; Khotyaintsev, Y. V.; Vaivads, A.; Fu, H.; Marklund, G. T.; Nakamura, R.; Burch, J. L.; Torbert, R. B.; Moore, T. E.; Ergun, R.; Goodrich, K.; Needell, J.; Chutter, M.; Rau, D.; Dors, I.; Russell, C. T.; Magnes, W.; Strangeway, R. J.; Le, G.; Bromund, K. R.; Plaschke, F.; Fischer, D.; Leinweber, H. K.; Anderson, B. J.; Argall, M. R.; Slavin, J. A.; Kepko, L.; Baumjohann, W.; Pollock, C. J.; Mauk, B.; Fuselier, S. A.

    2015-12-01

    Dipolarization fronts are often associated to reconnection jets in the magnetotail current sheet and are sites of important energy dissipation and particle energization. Since the launch on March 12th and until the 9th of July 2015, the MMS constellation has been moving from dawn to dusk in a string of pearls formation. Although particle instruments were rarely operating and only FIELDS instrument suite was often gathering data, the MMS spacecraft have detected numerous dipolarization fronts, in particular on May 15th. Since 9th of July, the MMS evolved into a tetrahedral configuration with an average inter-satellite distance of 160 km and was still able to detect dipolarization fronts in the dusk magnetotail. As the Larmor radius of thermal protons is about 500 km in this region and dipolarization fronts have a typical thickness of the order of the Larmor radius, such a separation allows us to investigate in detail the microphysics of dipolarization fronts. In this study, we focus in particular on low-frequency electromagnetic wave activity related to the fronts and discuss possible mechanisms of particle heating and acceleration both at large scales (string of pearls configuration) and at kinetic scales (tetrahedral configuration).

  17. All-optical scheme for strongly enhanced production of a Bose-Einstein condensate of dipolar molecules in the vibronic ground state

    SciTech Connect

    Mackie, Matt; Debrosse, Catherine

    2010-04-15

    We consider two-color heteronuclear photoassociation of a dual-species Bose-Einstein condensate into a Bose-Einstein condensate of dipolar molecules in the J=1 vibronic ground state, where a free-ground laser couples atoms directly to the ground state and a free-bound laser couples the atoms to an electronically excited state. This problem raises an interest because heteronuclear photoassociation from atoms to near-ground-state molecules is limited by the small size of the target state. Nevertheless, the addition of the electronically excited state creates a second pathway for creating molecules in the vibronic ground state, leading to quantum interference between direct photoassociation and photoassociation via the excited molecular state, as well as a dispersivelike shift of the free-ground resonance position. Using LiNa as an example, these results are shown to depend on the detuning and intensity of the free-bound laser, as well as the semiclassical size of both molecular states. Whereas strong enhancement enables saturation of the free-ground transition, coherent conversion from a two-species condensate of atoms to a condensate of dipolar molecules in the vibronic ground state is only possible for a limited range of free-bound detunings near resonance.

  18. Collective effects due to dipolar fields as the origin of the extremely random behavior in hyperpolarized NMR maser: a theoretical and numerical study.

    PubMed

    Henner, Victor; Desvaux, Hervé; Belozerova, Tatyana; Marion, Denis J Y; Kharebov, Petr; Klots, Andrey

    2013-10-14

    Numerical simulations based on microscopic approach are used to explore the spin dynamics encountered in the recently reported hyperpolarized (129)Xe NMR maser [D. J. Y. Marion, G. Huber, P. Berthault, and H. Desvaux, ChemPhysChem 9, 1395-1401 (2008)] where series of amplitude modulated rf emissions are observed. The integration of the dynamic features of the electronic detection circuit in the present simulations, based on non-linear Maxwell-Bloch differential equations with dipole-dipole interactions, allows us to prove that the experimentally observed extremely random amplitude modulations crucially require the long-distance dipolar couplings between the nuclear spins with the feedback field acting as an amplifier. The massive dipolar couplings act, when the magnetization is largely tilted off the longitudinal axis, as an apparent transverse self-relaxation mechanism which destroys coherence. This, in particular, explains why the final magnetization after emissions can still be opposite to the magnetic field direction, i.e., being in an unstable state. PMID:24116607

  19. All-optical scheme for strongly enhanced production of a Bose-Einstein condensate of dipolar molecules in the vibronic ground state

    NASA Astrophysics Data System (ADS)

    Mackie, Matt; Debrosse, Catherine

    2010-04-01

    We consider two-color heteronuclear photoassociation of a dual-species Bose-Einstein condensate into a Bose-Einstein condensate of dipolar molecules in the J=1 vibronic ground state, where a free-ground laser couples atoms directly to the ground state and a free-bound laser couples the atoms to an electronically excited state. This problem raises an interest because heteronuclear photoassociation from atoms to near-ground-state molecules is limited by the small size of the target state. Nevertheless, the addition of the electronically excited state creates a second pathway for creating molecules in the vibronic ground state, leading to quantum interference between direct photoassociation and photoassociation via the excited molecular state, as well as a dispersivelike shift of the free-ground resonance position. Using LiNa as an example, these results are shown to depend on the detuning and intensity of the free-bound laser, as well as the semiclassical size of both molecular states. Whereas strong enhancement enables saturation of the free-ground transition, coherent conversion from a two-species condensate of atoms to a condensate of dipolar molecules in the vibronic ground state is only possible for a limited range of free-bound detunings near resonance.

  20. Ion and electron kinetic physics associated with magnetotail dipolarization fronts

    NASA Astrophysics Data System (ADS)

    Eastwood, Jonathan; Goldman, Martin; Newman, David; Zhang, Xiao-Jia; Hietala, Heli; Krupar, Vratislav; Mistry, Rishi; Lapenta, Giovanni; Angelopoulos, Vassilis

    2016-04-01

    Magnetic reconnection plays an important role in controlling the dynamics of the Earth's magnetotail. In particular, a dipolarization front (DF) may form at the leading edge of the reconnection exhaust as a consequence of its interaction with the pre-existing plasma sheet. Earthward moving DFs typically exhibit a rapid increase in the northward component of the magnetic field which divides the pre-existing plasma sheet from the hotter, high speed and lower density reconnection exhaust. Extensive observations have been made of DFs at Earth with multi-point missions such as Cluster, THEMIS/ARTEMIS and now Magnetospheric Multi-Scale (MMS). In this invited contribution we will first review previous work showing that DFs are often relatively thin and locations where significant particle acceleration and heating can occur in a variety of ways. The dynamics and kinematics of ions and electrons at DFs are very different, as a result of their different particle masses. The reflection of ions by DFs leads to acceleration and heating, and we show that via kinetic effects, some part of the pre-existing plasma sheet ion population is entrained and accelerated into the exhaust. This interaction in fact occurs over a macroscopic region, rather than simply being limited to the thin DF interface. This leads to a more general consequence which is that reconnection exhausts are not necessarily simply fed by plasma inflow across the separatrices, but also by plasma from the region into which the jet is propagating; the implications of this finding are discussed. In contrast, electron acceleration and thermalisation is more related to the presence of instabilities in particular associated with temperature anisotropy and the growth of whistler waves. We discuss the observational evidence and also explore the possibility of the role that Cherenkov emission of whistlers by electron holes could play in this process. Finally we will briefly highlight recent new work in this area, and

  1. Dynamic Structure Factor of an Optically Trapped Dipolar Bose—Einstein Condensate

    NASA Astrophysics Data System (ADS)

    Qi, Wei; Liang, Zhao-Xin; Zhang, Zhi-Dong

    2014-02-01

    Motivated by the recent experimental achievements in using the Bragg spectroscopy to measure the excitation spectrum of an ultra-cold atomic system with long-range interactions, we investigate the dynamic structure factor of a cigar-shaped dipolar Bose condensate trapped in a one-dimensional optical lattices. Our results show that the Bogoliubov bands of the system, particularly the lowest one, can be significantly influenced when one tunes the dipole orientation. Consequently, the calculated static structure factor of an optically trapped dipolar Bose gas shows marked difference from the non-dipolar one. Moreover, we show that the effects of dipole-dipole interaction on the dynamic structure factor is also strongly affected by the strength of the optical confinement.

  2. Self-trapping of a dipolar Bose-Einstein condensate in a double well

    NASA Astrophysics Data System (ADS)

    Adhikari, S. K.

    2014-04-01

    We study the Josephson oscillation and self-trapping dynamics of a cigar-shaped dipolar Bose-Einstein condensate of 52Cr atoms polarized along the symmetry axis of an axially symmetric double-well potential using the numerical solution of a mean-field model, for dominating repulsive contact interaction (large positive scattering length a) over an anisotropic dipolar interaction. Josephson-type oscillation emerges for small and very large numbers of atoms, whereas self-trapping is noted for an intermediate number of atoms. The dipolar interaction pushes the system away from self-trapping towards Josephson oscillation. We consider a simple two-mode description for a qualitative understanding of the dynamics.

  3. Exploring Few- and Many-Body Dipolar Quantum Phenomena with Ultracold Erbium Atoms

    NASA Astrophysics Data System (ADS)

    Ferlaino, Francesca

    2016-05-01

    Given their strong magnetic moment and exotic electronic configuration, rare-earth atoms disclose a plethora of intriguing phenomena in ultracold quantum physics with dipole-dipole interaction. Here, we report on the first degenerate Fermi gas of erbium atoms, based on direct cooling of identical fermions via dipolar collisions. We reveal universal scattering laws between identical dipolar fermions close to zero temperature, and we demonstrate the long-standing prediction of a deformed Fermi surface in dipolar gas. Finally, we present the first experimental study of an extended Bose-Hubbard model using bosonic Er atoms in a three-dimensional optical lattice and we report on the first observation of nearest-neighbor interactions.

  4. The role of the dipolar neighborhood on the relaxation dynamics of multichromophoric merocyanines.

    PubMed

    Koch, Federico; Steinbacher, Andreas; Consani, Cristina; Zitzler-Kunkel, André; Stolte, Matthias; Würthner, Frank; Brixner, Tobias

    2016-07-20

    The interactions between different chromophores within a molecular system are crucial to comprehend relaxation dynamics, regardless if one deals with small molecules or larger systems like polymers or aggregates. We investigate a series of merocyanine molecules that contain one, two or three highly dipolar (μg = 13.1 D) dyes in close vicinity to study the influence and origin of interactions, e.g., electronic, vibronic, or the formation of excitons. Relaxation dynamics are probed via transient absorption and coherent two-dimensional spectroscopy. Furthermore, we derive a general relaxation model which can be applied for all merocyanines under investigation and can be used as a reference point for other dipolar donor-acceptor dyes. The intramolecular charge-transfer state of the monomeric merocyanine is stabilized by dipolar neighbor molecules in the bis- and tris-chromophoric dyes. PMID:27389075

  5. Vortices of a rotating two-component dipolar Bose-Einstein condensate in an optical lattice

    NASA Astrophysics Data System (ADS)

    Wang, Lin-Xue; Dong, Biao; Chen, Guang-Ping; Han, Wei; Zhang, Shou-Gang; Shi, Yu-Ren; Zhang, Xiao-Fei

    2016-01-01

    We consider a two-component Bose-Einstein condensate, which consists of both dipolar and scalar bosonic atoms, in a confinement that is composed of a harmonic oscillator and an underlying optical lattice set rotation. When the dipoles are polarized along the symmetry axis of the harmonic potential, the ground-state density distributions of such a system are investigated as a function of the relative strength between the dipolar and contact interactions, and of the rotation frequency. Our results show that the number of vortices and its related vortex structures of such a system depend strongly on such system parameters. The special two-component system considered here opens up alternate ways for exploring the rich physics of dipolar quantum gases.

  6. Magnetic dipolar interaction between correlated triplets created by singlet fission in tetracene crystals

    NASA Astrophysics Data System (ADS)

    Wang, Rui; Zhang, Chunfeng; Zhang, Bo; Liu, Yunlong; Wang, Xiaoyong; Xiao, Min

    2015-10-01

    Singlet fission can potentially break the Shockley-Queisser efficiency limit in single-junction solar cells by splitting one photoexcited singlet exciton (S1) into two triplets (2T1) in organic semiconductors. A dark multiexciton state has been proposed as the intermediate connecting S1 to 2T1. However, the exact nature of this multiexciton state, especially how the doubly excited triplets interact, remains elusive. Here we report a quantitative study on the magnetic dipolar interaction between singlet-fission-induced correlated triplets in tetracene crystals by monitoring quantum beats relevant to the multiexciton sublevels at room temperature. The resonances of multiexciton sublevels approached by tuning an external magnetic field are observed to be avoided, which agrees well with the theoretical predictions considering a magnetic dipolar interaction of ~0.008 GHz. Our work quantifies the magnetic dipolar interaction in certain organic materials and marks an important step towards understanding the underlying physics of the multiexciton state in singlet fission.

  7. Synthesis and Assembly of Dipolar Heterostructured Tetrapods: Colloidal Polymers with "Giant tert-butyl" Groups.

    PubMed

    Pavlopoulos, Nicholas G; Dubose, Jeffrey T; Pinna, Nicola; Willinger, Marc-Georg; Char, Kookheon; Pyun, Jeffrey

    2016-01-26

    We report on the first synthesis of a heterostructured semiconductor tetrapod from CdSe@CdS that carries a single dipolar nanoparticle tip from a core-shell colloid of Au@Co. A four-step colloidal total synthesis was developed, where the key step in the synthesis was the selective deposition of a single AuNP tip onto a CdSe@CdS tetrapod under UV-irradiation. Synthetic accessibility to this dipolar heterostructured tetrapod enabled the use of these as colloidal monomers to form colloidal polymers that carry the semiconductor tetrapod as a side chain group attached to the CoNP colloidal polymer main chain. The current report details a number of novel discoveries on the selective synthesis of an asymmetric heterostructured tetrapod that is capable of 1D dipolar assembly into colloidal polymers that carry tetrapods as side chain groups that mimic "giant tert-butyl groups". PMID:26696128

  8. Three-dimensional vortex structures in a rotating dipolar Bose–Einstein condensate

    NASA Astrophysics Data System (ADS)

    Kishor Kumar, Ramavarmaraja; Sriraman, Thangarasu; Fabrelli, Henrique; Muruganandam, Paulsamy; Gammal, Arnaldo

    2016-08-01

    We study three-dimensional vortex lattice structures in purely dipolar Bose–Einstein condensate (BEC). By using the mean-field approximation, we obtain a stability diagram for the vortex states in purely dipolar BECs as a function of harmonic trap aspect ratio (λ) and dipole–dipole interaction strength (D) under rotation. Rotating the condensate within the unstable region leads to collapse while in the stable region furnishes stable vortex lattices of dipolar BECs. We analyse stable vortex lattice structures by solving the three-dimensional time-dependent Gross–Pitaevskii equation in imaginary time. Further, the stability of vortex states is examined by evolution in real-time. We also investigate the distribution of vortices in a fully anisotropic trap by increasing eccentricity of the external trapping potential. We observe the breaking up of the condensate in two parts with an equal number of vortices on each when the trap is sufficiently weak, and the rotation frequency is high.

  9. Dipolar Decoupling in Magnetic Resonance Force Microscopy using Optimal Control Pulses

    NASA Astrophysics Data System (ADS)

    Rose, William; Haas, Holger; Budakian, Raffi

    We present data showing how a modified gradient ascent pulse engineering method can be used to design nuclear magnetic resonance pulses that perform a single unitary transformation over a large range of maximum Rabi field strengths (B1) , while decoupling the secular dipolar interactions between spins. We designed dipolar-decoupling π-pulses that perform well over spins feeling maximum B1 fields from 131 - 274 G . By combining these π-pulses into a simple multiple pulse sequence, with fields produced by a silver microwire, we have increased T2* in a polystyrene sample attached to the tip of a silicon nanowire from 11 μs to ~ 250 ms . This dipolar decoupling could be used to improve the spatial resolution of nano-MRI experiments and to allow spectroscopy of chemical shifts in nanoscale samples.

  10. Antiferromagnetism and superfluidity of a dipolar Fermi gas in a two-dimensional optical lattice

    SciTech Connect

    Liu Bo; Yin Lan

    2011-10-15

    In a dipolar Fermi gas, the dipole-dipole interaction between fermions can be turned into a dipolar Ising interaction between pseudospins in the presence of an ac electric field. When trapped in a two-dimensional optical lattice, this dipolar Fermi gas has a very rich phase diagram at zero temperature, due to the competition between antiferromagnetism and superfluidity. At half-filling, the antiferromagnetic state is the favored ground state. The superfluid state appears as the ground state at a smaller filling factor. In between there is a phase-separated region. The order parameter of the superfluid state can display different symmetries depending on the filling factor and interaction strength, including the d-wave (d), the extended s-wave (xs), or their linear combination (xs+id). Implications for the current experiment are discussed.

  11. Pitch angle distributions of electrons at dipolarization sites during geomagnetic activity: THEMIS observations

    NASA Astrophysics Data System (ADS)

    Wang, Kaiti; Lin, Ching-Huei; Wang, Lu-Yin; Hada, Tohru; Nishimura, Yukitoshi; Turner, Drew L.; Angelopoulos, Vassilis

    2014-12-01

    Changes in pitch angle distributions of electrons with energies from a few eV to 1 MeV at dipolarization sites in Earth's magnetotail are investigated statistically to determine the extent to which adiabatic acceleration may contribute to these changes. Forty-two dipolarization events from 2008 and 2009 observed by Time History of Events and Macroscale Interactions during Substorms probes covering the inner plasma sheet from 8 RE to 12 RE during geomagnetic activity identified by the AL index are analyzed. The number of observed events with cigar-type distributions (peaks at 0° and 180°) decreases sharply below 1 keV after dipolarization because in many of these events, electron distributions became more isotropized. From above 1 keV to a few tens of keV, however, the observed number of cigar-type events increases after dipolarization and the number of isotropic events decreases. These changes can be related to the ineffectiveness of Fermi acceleration below 1 keV (at those energies, dipolarization time becomes comparable to electron bounce time). Model-calculated pitch angle distributions after dipolarization with the effect of betatron and Fermi acceleration tested indicate that these adiabatic acceleration mechanisms can explain the observed patterns of event number changes over a large range of energies for cigar events and isotropic events. Other factors still need to be considered to assess the observed increase in cigar events around 2 keV. Indeed, preferential directional increase/loss of electron fluxes, which may contribute to the formation of cigar events, was observed. Nonadiabatic processes to accelerate electrons in a parallel direction may also be important for future study.

  12. The structure of ions and zwitterionic lipids regulates the charge of dipolar membranes.

    PubMed

    Szekely, Or; Steiner, Ariel; Szekely, Pablo; Amit, Einav; Asor, Roi; Tamburu, Carmen; Raviv, Uri

    2011-06-21

    In pure water, zwitterionic lipids form lamellar phases with an equilibrium water gap on the order of 2 to 3 nm as a result of the dominating van der Waals attraction between dipolar bilayers. Monovalent ions can swell those neutral lamellae by a small amount. Divalent ions can adsorb onto dipolar membranes and charge them. Using solution X-ray scattering, we studied how the structure of ions and zwitterionic lipids regulates the charge of dipolar membranes. We found that unlike monovalent ions that weakly interact with all of the examined dipolar membranes, divalent and trivalent ions adsorb onto membranes containing lipids with saturated tails, with an association constant on the order of ∼10 M(-1). One double bond in the lipid tail is sufficient to prevent divalent ion adsorption. We suggest that this behavior is due to the relatively loose packing of lipids with unsaturated tails that increases the area per lipid headgroup, enabling their free rotation. Divalent ion adsorption links two lipids and limits their free rotation. The ion-dipole interaction gained by the adsorption of the ions onto unsaturated membranes is insufficient to compensate for the loss of headgroup free-rotational entropy. The ion-dipole interaction is stronger for cations with a higher valence. Nevertheless, polyamines behave as monovalent ions near dipolar interfaces in the sense that they interact weakly with the membrane surface, whereas in the bulk their behavior is similar to that of multivalent cations. Advanced data analysis and comparison with theory provide insight into the structure and interactions between ion-induced regulated charged interfaces. This study models biologically relevant interactions between cell membranes and various ions and the manner in which the lipid structure governs those interactions. The ability to monitor these interactions creates a tool for probing systems that are more complex and forms the basis for controlling the interactions between dipolar

  13. Anomalous supersolidity in a weakly interacting dipolar Bose mixture on a square lattice

    NASA Astrophysics Data System (ADS)

    Wilson, Ryan M.; Shirley, Wilbur E.; Natu, Stefan S.

    2016-01-01

    We calculate the mean-field phase diagram of a zero-temperature, binary Bose mixture on a square optical lattice, where one species possesses a non-negligible dipole moment. Remarkably, this system exhibits supersolidity for anomalously weak dipolar interaction strengths, which are readily accessible with current experimental capabilities. The supersolid phases are robust, in that they occupy large regions in the parameter space. Further, we identify a first-order quantum phase transition between supersolid and superfluid phases. Our results demonstrate the rich features of the dipolar Bose mixture, and suggest that this system is well suited for exploring supersolidity in the experimental setting.

  14. Effect of impurities on the transition temperature of a dilute dipolar trapped Bose gas

    NASA Astrophysics Data System (ADS)

    Yavari, H.; Afsaneh, E.

    2013-01-01

    By using a two-fluid model the effect of impurities on the transition temperature of a dipolar trapped Bose gas is investigated. By treating Gaussian spatial correlation for impurities from the interaction modified spectra of the system, the formula for the shift of the transition temperature is derived. The shift of the transition temperature contains essentially three contributions due to contact, dipole-dipole, and impurity interactions. Applying our results to dipolar Bose gases shows that the shift of the transition temperature due to impurities could be measured for an isotropic trap (dipole-dipole contribution is zero) and the Feshbach resonance technique (contact potential contribution is negligible).

  15. Dipolar Quinoidal Acene Analogues as Stable Isoelectronic Structures of Pentacene and Nonacene.

    PubMed

    Shi, Xueliang; Kueh, Weixiang; Zheng, Bin; Huang, Kuo-Wei; Chi, Chunyan

    2015-11-23

    Quinoidal thia-acene analogues, as the respective isoelectronic structures of pentacene and nonacene, were synthesized and an unusual 1,2-sulfur migration was observed during the Friedel-Crafts alkylation reaction. The analogues display a closed-shell quinoidal structure in the ground state with a distinctive dipolar character. In contrast to their acene isoelectronic structures, both compounds are stable because of the existence of more aromatic sextet rings, a dipolar character, and kinetic blocking. They exhibit unique packing in single crystals resulting from balanced dipole-dipole and [C-H⋅⋅⋅π]/[C-H⋅⋅⋅S] interactions. PMID:26447720

  16. Ground-state candidate for the classical dipolar kagome Ising antiferromagnet

    NASA Astrophysics Data System (ADS)

    Chioar, I. A.; Rougemaille, N.; Canals, B.

    2016-06-01

    We have investigated the low-temperature thermodynamic properties of the classical dipolar kagome Ising antiferromagnet using Monte Carlo simulations, in the quest for the ground-state manifold. In spite of the limitations of a single-spin-flip approach, we managed to identify certain ordering patterns in the low-temperature regime and we propose a candidate for this unknown state. This configuration presents some intriguing features and is fully compatible with the extrapolations of the at-equilibrium thermodynamic behavior sampled so far, making it a very likely choice for the dipolar long-range ordered state of the classical kagome Ising antiferromagnet.

  17. Tuning the spin dynamics of single molecule magnets via dipolar interactions

    NASA Astrophysics Data System (ADS)

    Hofmann, A.; Salman, Z.

    2014-12-01

    We present calculations of the dipolar field distribution acting on a single molecule magnet due to its neighbours in thin films. The calculations are presented for different packing/configuration scenarios, with different easy axis orientations. The potential for controlling the molecular spin dynamics by tuning the molecule-substrate interaction and its competition with intra-molecular interactions is discussed. We argue that by altering the configuration of the molecular moments, and thus their dipolar interactions, one can enhance or slow down their spin dynamics.

  18. 1,3-Dipolar Cycloadditions of Diazo Compounds in the Presence of Azides.

    PubMed

    Aronoff, Matthew R; Gold, Brian; Raines, Ronald T

    2016-04-01

    The diazo group has untapped utility in chemical biology. The tolerance of stabilized diazo groups to cellular metabolism is comparable to that of azido groups. However, chemoselectivity has been elusive, as both groups undergo 1,3-dipolar cycloadditions with strained alkynes. Removing strain and tuning dipolarophile electronics yields diazo group selective 1,3-dipolar cycloadditions that can be performed in the presence of an azido group. For example, diazoacetamide but not its azido congener react with dehydroalanine residues, as in the natural product nisin. PMID:26981746

  19. Lorentz microscopy sheds light on the role of dipolar interactions in magnetic hyperthermia

    NASA Astrophysics Data System (ADS)

    Campanini, M.; Ciprian, R.; Bedogni, E.; Mega, A.; Chiesi, V.; Casoli, F.; de Julián Fernández, C.; Rotunno, E.; Rossi, F.; Secchi, A.; Bigi, F.; Salviati, G.; Magén, C.; Grillo, V.; Albertini, F.

    2015-04-01

    Monodispersed Fe3O4 nanoparticles with comparable size distributions have been synthesized by two different synthesis routes, co-precipitation and thermal decomposition. Thanks to the different steric stabilizations, the described samples can be considered as a model system to investigate the effects of magnetic dipolar interactions on the aggregation states of the nanoparticles. Moreover, the presence of magnetic dipolar interactions can strongly affect the nanoparticle efficiency as a hyperthermic mediator. In this paper, we present a novel way to visualize and map the magnetic dipolar interactions in different kinds of nanoparticle aggregates by the use of Lorentz microscopy, an easy and reliable in-line electron holographic technique. By exploiting Lorentz microscopy, which is complementary to the magnetic measurements, it is possible to correlate the interaction degrees of magnetic nanoparticles with their magnetic behaviors. In particular, we demonstrate that Lorentz microscopy is successful in visualizing the magnetic configurations stabilized by dipolar interactions, thus paving the way to the comprehension of the power loss mechanisms for different nanoparticle aggregates.Monodispersed Fe3O4 nanoparticles with comparable size distributions have been synthesized by two different synthesis routes, co-precipitation and thermal decomposition. Thanks to the different steric stabilizations, the described samples can be considered as a model system to investigate the effects of magnetic dipolar interactions on the aggregation states of the nanoparticles. Moreover, the presence of magnetic dipolar interactions can strongly affect the nanoparticle efficiency as a hyperthermic mediator. In this paper, we present a novel way to visualize and map the magnetic dipolar interactions in different kinds of nanoparticle aggregates by the use of Lorentz microscopy, an easy and reliable in-line electron holographic technique. By exploiting Lorentz microscopy, which is

  20. Low-temperature dipolar echoes in amorphous dielectrics: Significance of relaxation and decoherence free two-level systems

    NASA Astrophysics Data System (ADS)

    Burin, A. L.; Leveritt, J. M., III; Ruyters, G.; Schötz, C.; Bazrafshan, M.; Fassl, P.; von Schickfus, M.; Fleischmann, A.; Enss, C.

    2013-12-01

    The theoretical model for dielectric echoes in amorphous solids at low temperatures has been developed and applied to the recent two- and three-pulse echo experimental data in borosilicate glass BK7 where the amplitude of dipolar echoes has been observed for unprecedentedly long delay times extending the experimental window for studying the decay by several orders of magnitude. We show that at long delay times the echo amplitude is determined by a small subset of two-level systems (TLSs) with negligible relaxation and decoherence because of their weak coupling to phonons. The universal statistics of coupling is obtained by assuming that different TLS elastic tensor components are almost independent. Under this assumption the echo decay can be described approximately by the power law time dependences with different powers at times shorter and longer than the typical TLS relaxation time. These predictions are in a very good agreement with the experimental data and can be used to extract TLS relaxation and decoherence rates from the echo experiments.

  1. Magnetic dipolar and quadrupolar transitions in two-electron atoms under exponential-cosine-screened Coulomb potential

    SciTech Connect

    Modesto-Costa, Lucas; Canuto, Sylvio; Mukherjee, Prasanta K.

    2015-03-15

    A detailed investigation of the magnetic dipolar and quadrupolar excitation energies and transition probabilities of helium isoelectronic He, Be{sup 2+}, C{sup 4+}, and O{sup 6+} have been performed under exponential cosine screened Coulomb potential generated in a plasma environment. The low-lying excited states 1s{sup 2}:{sup 1}S{sup e} → 1sns:{sup 3}S{sup e}{sub 0}, and 1snp:{sup 3}P{sup o}{sub 2} (n = 2, 3, 4, and 5) are considered. The variational time-dependent coupled Hartree-Fock scheme has been used. The effect of the confinement produced by the potential on the structural properties is investigated for increasing coupling strength of the plasma. It is noted that there is a gradual destabilization of the energy of the system with the reduction of the ionization potential and the number of excited states. The effect of the screening enhancement on the excitation energies and transition probabilities has also been investigated and the results compared with those available for the free systems and under the simple screened Coulomb potential.

  2. Collective excitation frequencies and stationary states of trapped dipolar Bose-Einstein condensates in the Thomas-Fermi regime

    SciTech Connect

    Bijnen, R. M. W. van; Parker, N. G.; Kokkelmans, S. J. J. M. F.; Martin, A. M.; O'Dell, D. H. J.

    2010-09-15

    We present a general method for obtaining the exact static solutions and collective excitation frequencies of a trapped Bose-Einstein condensate (BEC) with dipolar atomic interactions in the Thomas-Fermi regime. The method incorporates analytic expressions for the dipolar potential of an arbitrary polynomial density profile, thereby reducing the problem of handling nonlocal dipolar interactions to the solution of algebraic equations. We comprehensively map out the static solutions and excitation modes, including non-cylindrically-symmetric traps, and also the case of negative scattering length where dipolar interactions stabilize an otherwise unstable condensate. The dynamical stability of the excitation modes gives insight into the onset of collapse of a dipolar BEC. We find that global collapse is consistently mediated by an anisotropic quadrupolar collective mode, although there are two trapping regimes in which the BEC is stable against quadrupole fluctuations even as the ratio of the dipolar to s-wave interactions becomes infinite. Motivated by the possibility of a fragmented condensate in a dipolar Bose gas due to the partially attractive interactions, we pay special attention to the scissors modes, which can provide a signature of superfluidity, and identify a long-range restoring force which is peculiar to dipolar systems. As part of the supporting material for this paper we provide the computer program used to make the calculations, including a graphical user interface.

  3. Antenna-coupled microcavities for terahertz emission

    SciTech Connect

    Madéo, J. Todorov, Y.; Sirtori, C.

    2014-01-20

    We have investigated the capacitive coupling between dipolar antennas and metal-dielectric-metal wire microcavities with strong sub-wavelength confinement in the terahertz region. The coupling appears in reflectivity measurements performed on arrays of antenna-coupled elements, which display asymmetric Fano lineshapes. The experimental data are compared to a temporal coupled-mode theory and finite elements electromagnetic simulations. We show that the Fano interferences correspond to coupling between a subradiant mode (microcavity) and a superradiant mode (antennas). This phenomenon allows one to enhance and control the radiative coupling of the strongly confined mode with the vacuum. These concepts are very useful for terahertz optoelectronic devices based on deep-sub-wavelength active regions.

  4. Strain relaxation in buried strained layers by mixture of single and dipolar dislocation arrays

    NASA Astrophysics Data System (ADS)

    Jin, Z.; Yang, S.; Ma, C.; Liu, S.

    1999-06-01

    The strain relaxation in buried strained layers is investigated using an elastic continuum model. The mixture of single dislocations residing at the substrate/strained layer interface (lower interface) and dipolar dislocations in which one is at the lower interface and the other at the strained layer/capping layer interface (upper interface), is proposed. In the mixture, the dislocation distributions are denoted by a parameter which is the ratio of the density of misfit dislocations at the upper interface to that at the lower interface. In a buried strained layer, relaxation of mean strain occurs by introduction of two orthogonal arrays of mixture of single and dipolar dislocations. Considering both the free surface and interactions between dislocations, the total elastic energy per unit area of buried strained layer containing two orthogonal arrays of mixture of single and dipolar dislocations is calculated. The energy is dependent on the misfit dislocation distributions. On energy minimization considerations, the expression of the misfit dislocation distributions in a buried strained layer with arbitrary strain relaxation and capping layer thickness is derived. It is demonstrated that the strain is initially relaxed by the single misfit dislocations and relaxed by the mixture of single and dipolar misfit dislocations in the final stage of strain relaxation in many buried layers of practical interest.

  5. Dipolar interactions between domains in lipid monolayers at the air-water interface.

    PubMed

    Rufeil-Fiori, Elena; Wilke, Natalia; Banchio, Adolfo J

    2016-05-25

    A great variety of biologically relevant monolayers present phase coexistence characterized by domains formed by lipids in an ordered phase state dispersed in a continuous, disordered phase. From the difference in surface densities between these phases, inter-domain dipolar interactions arise. These interactions are relevant for the determination of the spacial distribution of domains as well as their dynamics. In this work, we propose a novel way of estimating the dipolar repulsion using a passive method that involves the analysis of images of the monolayer with phase coexistence. This method is based on the comparison of the pair correlation function obtained from experiments with that obtained from Brownian dynamics simulations of a model system. As an example, we determined the difference in dipolar density of a binary monolayer of DSPC/DMPC at the air-water interface from the analysis of the radial distribution of domains, and the results are compared with those obtained by surface potential determinations. A systematic analysis for the experimentally relevant parameter range is given, which may be used as a working curve for obtaining the dipolar repulsion in different systems. PMID:27139819

  6. Second harmonic generation from small gold metallic particles: from the dipolar to the quadrupolar response.

    PubMed

    Nappa, J; Russier-Antoine, I; Benichou, E; Jonin, Ch; Brevet, P F

    2006-11-14

    Hyper Raleigh scattering, a common technique to investigate the second harmonic light scattered from a liquid suspension of molecular compounds and to determine their quadratic hyperpolarizability, has been used for aqueous suspensions of gold nanoparticles, the diameter of which ranges from 20 up to 150 nm. The hyper Rayleigh signal intensity was recorded as a function of the angle of polarization of the incident fundamental wave. For the particles with a diameter smaller than 50 nm, the response is dominated by the dipolar contribution arising from the deviation of the particle shape from that of a perfect sphere. For larger diameter particles, retardation effects in the interaction of the electromagnetic fields with the particles cannot be neglected any longer and the response deviates from the pure dipolar response, exhibiting a strong quadrupolar contribution. It is then shown that in order to quantify the relative magnitude of these two dipolar and quadrupolar contributions, a weighting parameter zeta(V) which equals unity for a pure quadrupolar contribution and vanishes for a pure dipolar response, can be introduced. PMID:17115784

  7. Lorentz microscopy sheds light on the role of dipolar interactions in magnetic hyperthermia.

    PubMed

    Campanini, M; Ciprian, R; Bedogni, E; Mega, A; Chiesi, V; Casoli, F; de Julián Fernández, C; Rotunno, E; Rossi, F; Secchi, A; Bigi, F; Salviati, G; Magén, C; Grillo, V; Albertini, F

    2015-05-01

    Monodispersed Fe3O4 nanoparticles with comparable size distributions have been synthesized by two different synthesis routes, co-precipitation and thermal decomposition. Thanks to the different steric stabilizations, the described samples can be considered as a model system to investigate the effects of magnetic dipolar interactions on the aggregation states of the nanoparticles. Moreover, the presence of magnetic dipolar interactions can strongly affect the nanoparticle efficiency as a hyperthermic mediator. In this paper, we present a novel way to visualize and map the magnetic dipolar interactions in different kinds of nanoparticle aggregates by the use of Lorentz microscopy, an easy and reliable in-line electron holographic technique. By exploiting Lorentz microscopy, which is complementary to the magnetic measurements, it is possible to correlate the interaction degrees of magnetic nanoparticles with their magnetic behaviors. In particular, we demonstrate that Lorentz microscopy is successful in visualizing the magnetic configurations stabilized by dipolar interactions, thus paving the way to the comprehension of the power loss mechanisms for different nanoparticle aggregates. PMID:25835488

  8. 3+2-Dipolar cycloaddition of dianhydrohexitol azidoderivatives with N-arylmaleimides

    NASA Astrophysics Data System (ADS)

    Gella, I. M.; Babak, N. L.; Drushlyak, T. G.; Shishkina, S. V.; Musatov, V. I.; Lipson, V. V.

    2015-11-01

    Dianhydrohexitol azides dipolar 3+2 cycloaddition with N-arylmaleimides has been studied with NMR (1H and 13C, COSY, NOESY and HSQC) and X-ray analysis. In spite of low asymmetrical induction in this reaction, diastereomerically pure products have been obtained. These products are interesting over their structural similarity to griseolic acid derivatives and dihydropyrrolotriazoles, significant for pharmaceutics.

  9. Modulation of Magnetic Heating via Dipolar Magnetic Interactions in Monodisperse and Crystalline Iron Oxide Nanoparticles

    DOE PAGESBeta

    Salas, Gorka; Camarero, Julio; Cabrera, David; Takacs, Hélène; Varela, María; Ludwig, Robert; Dähring, Heidi; Hilger, Ingrid; Miranda, Rodolfo; Morales, María del Puerto; et al

    2014-07-23

    Here, we report on the study of heat dissipation power in monodisperse and crystalline magnetite nanoparticles as function of particle and aggregate sizes, magnetic field frequencies (up to 435 kHz) and amplitudes (up to 50 mT), media viscosity and particle concentration. These nanoparticles display specific absorption rate values of few hundreds of WgFe-1 at moderate frequencies (~100 kHz), increasing up to 3632 WgFe-1 at more extreme field conditions (430 kHz and 40 mT) for the largest size. We have found that Néelian relaxation processes are dominant for all nanoparticle sizes, whereas Brownian contribution dominates only for the largest size (22more » nm) at high particle concentrations when dipolar interactions enhance the effective magnetic anisotropy. Besides, the particle concentration dependence of the specific absorption rate reflects the importance of magnetic dipolar interactions which strongly depend on aggregate and particle size. Our results show that dipolar interactions tune the effective magnetic anisotropy determining the Néelian and Brownian contributions into SAR values. The possibility of switching between heating mechanisms via dipolar interactions is of great importance towards controlling the heat exposure supplied by IONP as intracellular heating mediators.« less

  10. Effect of Nanoclustering and Dipolar Interactions in Heat Generation for Magnetic Hyperthermia.

    PubMed

    Coral, Diego F; Zélis, Pedro Mendoza; Marciello, Marzia; Morales, María del Puerto; Craievich, Aldo; Sánchez, Francisco H; van Raap, Marcela B Fernández

    2016-02-01

    Biomedical magnetic colloids commonly used in magnetic hyperthermia experiments often display a bidisperse structure, i.e., are composed of stable nanoclusters coexisting with well-dispersed nanoparticles. However, the influence of nanoclusters in the optimization of colloids for heat dissipation is usually excluded. In this work, bidisperse colloids are used to analyze the effect of nanoclustering and long-range magnetic dipolar interaction on the magnetic hyperthermia efficiency. Two kinds of colloids, composed of magnetite cores with mean sizes of around 10 and 18 nm, coated with oleic acid and dispersed in hexane, and coated with meso-2,3-dimercaptosuccinic acid and dispersed in water, were analyzed. Small-angle X-ray scattering was applied to thoroughly characterize nanoparticle structuring. We proved that the magnetic hyperthermia performances of nanoclusters and single nanoparticles are distinctive. Nanoclustering acts to reduce the specific heating efficiency whereas a peak against concentration appears for the well-dispersed component. Our experiments show that the heating efficiency of a magnetic colloid can increase or decrease when dipolar interactions increase and that the colloid concentration, i.e., dipolar interaction, can be used to improve magnetic hyperthermia. We have proven that the power dissipated by an ensemble of dispersed magnetic nanoparticles becomes a nonextensive property as a direct consequence of the long-range nature of dipolar interactions. This knowledge is a key point in selecting the correct dose that has to be injected to achieve the desired outcome in intracellular magnetic hyperthermia therapy. PMID:26751761

  11. Modulation of Magnetic Heating via Dipolar Magnetic Interactions in Monodisperse and Crystalline Iron Oxide Nanoparticles

    SciTech Connect

    Salas, Gorka; Camarero, Julio; Cabrera, David; Takacs, Hélène; Varela, María; Ludwig, Robert; Dähring, Heidi; Hilger, Ingrid; Miranda, Rodolfo; Morales, María del Puerto; Teran, Francisco Jose

    2014-07-23

    Here, we report on the study of heat dissipation power in monodisperse and crystalline magnetite nanoparticles as function of particle and aggregate sizes, magnetic field frequencies (up to 435 kHz) and amplitudes (up to 50 mT), media viscosity and particle concentration. These nanoparticles display specific absorption rate values of few hundreds of WgFe-1 at moderate frequencies (~100 kHz), increasing up to 3632 WgFe-1 at more extreme field conditions (430 kHz and 40 mT) for the largest size. We have found that Néelian relaxation processes are dominant for all nanoparticle sizes, whereas Brownian contribution dominates only for the largest size (22 nm) at high particle concentrations when dipolar interactions enhance the effective magnetic anisotropy. Besides, the particle concentration dependence of the specific absorption rate reflects the importance of magnetic dipolar interactions which strongly depend on aggregate and particle size. Our results show that dipolar interactions tune the effective magnetic anisotropy determining the Néelian and Brownian contributions into SAR values. The possibility of switching between heating mechanisms via dipolar interactions is of great importance towards controlling the heat exposure supplied by IONP as intracellular heating mediators.

  12. Monofunctionalization of Dendrimers Using Microwave–Assisted 1,3 Dipolar Cycloadditions

    PubMed Central

    Yoon, Kunsang; Goyal, Poorva; Weck, Marcus

    2008-01-01

    Monofunctionalized polyamide-based dendrimers containing either a terminal azide or alkyne moiety have been designed and synthesized via a convergent synthetic approach. The monofunctionalization allows for the single attachment of a functional moiety in quantitative yields using 1,3 dipolar cycloadditions thereby opening the possibility for targeted dendrimer functionalization. PMID:17472392

  13. Role of dipolar and exchange interactions in the positions and widths of EPR transitions for the single-molecule magnets Fe8 and Mn12

    NASA Astrophysics Data System (ADS)

    Park, Kyungwha; Novotny, M. A.; Dalal, N. S.; Hill, S.; Rikvold, P. A.

    2002-10-01

    We examine quantitatively the temperature dependence of the linewidths and line shifts in electron paramagnetic resonance experiments on single crystals of the single-molecule magnets Fe8 and Mn12, at fixed frequency, with an applied magnetic field along the easy axis. We include intermolecular spin-spin interactions (dipolar and exchange) and distributions in both the uniaxial anisotropy parameter D and the Landé g factor. The temperature dependence of the linewidths and the line shifts are mainly caused by the spin-spin interactions. For both Fe8 and Mn12, the temperature dependence of the calculated line shifts and linewidths agrees well with the trends of the experimental data. The linewidths for Fe8 reveal a stronger temperature dependence than those for Mn12, because for Mn12 a much wider distribution in D overshadows the temperature dependence of the spin-spin interactions. For Fe8, the line-shift analysis suggests two competing interactions: a weak ferromagnetic exchange coupling between neighboring molecules and a longer-ranged dipolar interaction. This result could have implications for ordering in Fe8 at low temperatures.

  14. Vibrational Spectroscopy of Transient Dipolar Radicals via Autodetachment of Dipole-Bound States of Cold Anions

    NASA Astrophysics Data System (ADS)

    Huang, Dao-Ling; Liu, Hong-Tao; Dau, Phuong Diem; Wang, Lai-Sheng

    2014-06-01

    High-resolution vibrational spectroscopy of transient species is important for determining their molecular structures and understanding their chemical reactivity. However, the low abundance and high reactivity of molecular radicals pose major challenges to conventional absorption spectroscopic methods. The observation of dipole-bound states (DBS) in anions extend autodetachment spectroscopy to molecular anions whose corresponding neutral radicals possess a large enough dipole moment (>2.5 D).1,2 However, due to the difficulty of assigning the congested spectra at room temperature, there have been only a limited number of autodetachment spectra via DBS reported. Recently, we have built an improved version of a cold trap3 coupled with high-resolution photoelectron imaging.4 The first observation of mode-specific auotodetachment of DBS of cold phenoxide have shown that not only vibrational hot bands were completely suppressed, but also rotational profile was observed.5 The vibrational frequencies of the DBS were found to be the same as those of the neutral radical, suggesting that vibrational structures of dipolar radicals can be probed via DBS.5 More significantly, the DBS resonances allowed a number of vibrational modes with very weak Frank-Condon factors to be "lightened" up via vibrational autodetachment.5 Recently, our first high-resolution vibrational spectroscopy of the dehydrogenated uracil radical, with partial rotational resolution, via autodetachment from DBS of cold deprotonated uracil anions have been reported.6 Rich vibrational information is obtained for this important radical species. The resolved rotational profiles also allow us to characterize the rotational temperature of the trapped anions for the first time.6 1 K. R. Lykke, D. M. Neumark, T. Andersen, V. J. Trapa, and W. C. Lineberger, J. Chem. Phys. 87, 6842 (1987). 2 D. M. Wetzel, and J. I. Brauman, J. Chem. Phys. 90, 68 (1989). 3 P. D. Dau, H. T. Liu, D. L. Huang, and L. S. Wang, J. Chem. Phys

  15. Dipolar ordering and relaxations in acetonitrile-β-hydroquinone clathrate

    NASA Astrophysics Data System (ADS)

    Rheinstädter, M. C.; Kityk, A. V.; Klöpperpieper, A.; Knorr, K.

    2002-08-01

    Single crystals of this clathrate have been studied by measurements of the frequency and temperature dependent dielectric permittivity as well as with polarization-electric field cycles and x-ray diffraction. The dipole moments of the acetonitrile guest molecules form Ising chains that are coupled by the electric dipole-dipole interaction and that are arranged in a triangular array. At 345 K a phase transition from a partially disordered antiferroelectric to a ferrielectric arrangement is observed.

  16. Dipolar correlations in a nanocomposite: A neutron scattering study of Nanoperm Fe{sub 89}Zr{sub 7}B{sub 3}Cu

    SciTech Connect

    Michels, A.; Vecchini, C.; Moze, O.; Suzuki, K.; Pranzas, P. K.; Kohlbrecher, J.; Weissmueller, J.

    2006-10-01

    We present results for the magnetic-field, temperature, and neutron-polarization dependence of the small-angle neutron scattering intensity in the soft magnetic iron-based nanocomposite Nanoperm (Fe{sub 89}Zr{sub 7}B{sub 3}Cu). An unusual 'clover-leaf-shaped' intensity distribution on the detector is attributed to the dipolar stray fields around the nanosized iron particles, which are embedded in an amorphous magnetic matrix of lesser saturation magnetization. The dipole field induces spin disorder, correlating the spin misalignment of neighboring particles and matrix over several particle spacings. The clover-leaf-shaped anisotropy is observed over a wide range of applied magnetic field and momentum transfer. It persists up to several hundred degrees Kelvin above the Curie temperature of the matrix phase, indicating that some degree of magnetic coupling persists even when the matrix is paramagnetic.

  17. Liquid crystal phases of two-dimensional dipolar gases and Berezinskii-Kosterlitz-Thouless melting

    PubMed Central

    Wu, Zhigang; Block, Jens K.; Bruun, Georg M.

    2016-01-01

    Liquid crystals are phases of matter intermediate between crystals and liquids. Whereas classical liquid crystals have been known for a long time and are used in electro-optical displays, much less is known about their quantum counterparts. There is growing evidence that quantum liquid crystals play a central role in many electron systems including high temperature superconductors, but a quantitative understanding is lacking due to disorder and other complications. Here, we analyse the quantum phase diagram of a two-dimensional dipolar gas, which exhibits stripe, nematic and supersolid phases. We calculate the stiffness constants determining the stability of the nematic and stripe phases, and the melting of the stripes set by the proliferation of topological defects is analysed microscopically. Our results for the critical temperatures of these phases demonstrate that a controlled study of the interplay between quantum liquid and superfluid phases is within experimental reach for the first time, using dipolar gases. PMID:26750156

  18. Spacing-dependent dipolar interactions in dendronized magnetic iron oxide nanoparticle 2D arrays and powders.

    PubMed

    Fleutot, Solenne; Nealon, Gareth L; Pauly, Matthias; Pichon, Benoit P; Leuvrey, Cédric; Drillon, Marc; Gallani, Jean-Louis; Guillon, Daniel; Donnio, Bertrand; Begin-Colin, Sylvie

    2013-02-21

    Self-assembly of nanoparticles (NPs) into tailored structures is a promising strategy for the production and design of materials with new functions. In this work, 2D arrays of iron oxide NPs with interparticle distances tuned by grafting fatty acids and dendritic molecules at the NPs surface have been obtained over large areas with high density using the Langmuir-Blodgett technique. The anchoring agent of molecules and the Janus structure of NPs are shown to be key parameters driving the deposition. Finally the influence of interparticle distance on the collective magnetic properties in powders and in monolayers is clearly demonstrated by DC and AC SQUID measurements. The blocking temperature T(B) increases as the interparticle distance decreases, which is consistent with the fact that dipolar interactions are responsible for this increase. Dipolar interactions are found to be stronger for particles assembled in thin films compared to powdered samples and may be described by using the Vogel Fulcher model. PMID:23306456

  19. Mean-field regime of trapped dipolar Bose-Einstein condensates in one and two dimensions

    NASA Astrophysics Data System (ADS)

    Cai, Yongyong; Rosenkranz, Matthias; Lei, Zhen; Bao, Weizhu

    2010-10-01

    We derive rigorous one- and two-dimensional mean-field equations for cigar- and pancake-shaped dipolar Bose-Einstein condensates with arbitrary polarization angle. We show how the dipolar interaction modifies the contact interaction of the strongly confined atoms. In addition, our equations introduce a nonlocal potential, which is anisotropic for pancake-shaped condensates. We propose to observe this anisotropy via measurement of the condensate aspect ratio. We also derive analytically approximate density profiles from our equations. Both the numerical solutions of our reduced mean-field equations and the analytical density profiles agree well with numerical solutions of the full Gross-Pitaevskii equation while being more efficient to compute.

  20. Resonant dipolar relaxation in poly ( ɛ -caprolactone)—A thermally stimulated depolarization current study

    NASA Astrophysics Data System (ADS)

    Patidar, M. M.; Jain, D.; Nath, R.; Ganesan, V.

    2016-07-01

    Resonant dipolar relaxation in poly( ɛ-caprolactone) (PCL) is reported using thermally stimulated discharge current spectroscopy. PCL is a bio-medically known shape memory polymer having a well defined γ, β, α, and α ' relaxations, respectively, centered around 125 K, 170 K, 220 K, and 270 K as seen by the measurements. By employing a new protocol variable poling temperature at constant freezing temperature, resonant dipolar relaxation in PCL could be induced, especially in the vicinity of α relaxation. Such a protocol is useful in de-convoluting the features in a more meaningful fashion. By an analysis of activation process, we could show a clear contrast enhancement of the dynamics of the participating dipoles by means of a minimum in the activation energies situated around the glass transition region. The relevant parameters of interest such as activation energies and relaxation times are estimated and discussed.

  1. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system.

    PubMed

    Newman, Hugh D; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  2. Liquid crystal phases of two-dimensional dipolar gases and Berezinskii-Kosterlitz-Thouless melting

    NASA Astrophysics Data System (ADS)

    Wu, Zhigang; Block, Jens K.; Bruun, Georg M.

    2016-01-01

    Liquid crystals are phases of matter intermediate between crystals and liquids. Whereas classical liquid crystals have been known for a long time and are used in electro-optical displays, much less is known about their quantum counterparts. There is growing evidence that quantum liquid crystals play a central role in many electron systems including high temperature superconductors, but a quantitative understanding is lacking due to disorder and other complications. Here, we analyse the quantum phase diagram of a two-dimensional dipolar gas, which exhibits stripe, nematic and supersolid phases. We calculate the stiffness constants determining the stability of the nematic and stripe phases, and the melting of the stripes set by the proliferation of topological defects is analysed microscopically. Our results for the critical temperatures of these phases demonstrate that a controlled study of the interplay between quantum liquid and superfluid phases is within experimental reach for the first time, using dipolar gases.

  3. Low-loss metamaterial electromagnetically induced transparency based on electric toroidal dipolar response

    SciTech Connect

    Li, Hai-ming; Liu, Shao-bin Liu, Si-yuan; Ding, Guo-wen; Yang, Hua; Yu, Zhi-yang; Zhang, Hai-feng; Wang, Shen-yun

    2015-02-23

    In this paper, a low-loss and high transmission analogy of electromagnetically induced transparency based on electric toroidal dipolar response is numerically and experimentally demonstrated. It is obtained by the excitation of the low-loss electric toroidal dipolar response, which confines the magnetic field inside a dielectric substrate with toroidal geometry. The metamaterial electromagnetically induced transparency (EIT) structure is composed of the cut wire and asymmetric split-ring resonators. The transmission level is as high as 0.88, and the radiation loss is greatly suppressed, which can be proved by the surface currents distributions, the magnetic field distributions, and the imaginary parts of the effective permeability and permittivity. It offers an effective way to produce low-loss and high transmission metamaterial EIT.

  4. Clusters in sedimentation equilibrium for an experimental hard-sphere-plus-dipolar Brownian colloidal system

    PubMed Central

    Newman, Hugh D.; Yethiraj, Anand

    2015-01-01

    In this work, we use structure and dynamics in sedimentation equilibrium, in the presence of gravity, to examine, via confocal microscopy, a Brownian colloidal system in the presence of an external electric field. The zero field equation of state (EOS) is hard sphere without any re-scaling of particle size, and the hydrodynamic corrections to the long-time self-diffusion coefficient are quantitatively consistent with the expected value for hard spheres. Care is taken to ensure that both the dimensionless gravitational energy, which is equivalent to a Peclet number Peg, and dipolar strength Λ are of order unity. In the presence of an external electric field, anisotropic chain-chain clusters form; this cluster formation manifests itself with the appearance of a plateau in the diffusion coefficient when the dimensionless dipolar strength Λ ~ 1. The structure and dynamics of this chain-chain cluster state is examined for a monodisperse system for two particle sizes. PMID:26323363

  5. Liquid crystal phases of two-dimensional dipolar gases and Berezinskii-Kosterlitz-Thouless melting.

    PubMed

    Wu, Zhigang; Block, Jens K; Bruun, Georg M

    2016-01-01

    Liquid crystals are phases of matter intermediate between crystals and liquids. Whereas classical liquid crystals have been known for a long time and are used in electro-optical displays, much less is known about their quantum counterparts. There is growing evidence that quantum liquid crystals play a central role in many electron systems including high temperature superconductors, but a quantitative understanding is lacking due to disorder and other complications. Here, we analyse the quantum phase diagram of a two-dimensional dipolar gas, which exhibits stripe, nematic and supersolid phases. We calculate the stiffness constants determining the stability of the nematic and stripe phases, and the melting of the stripes set by the proliferation of topological defects is analysed microscopically. Our results for the critical temperatures of these phases demonstrate that a controlled study of the interplay between quantum liquid and superfluid phases is within experimental reach for the first time, using dipolar gases. PMID:26750156

  6. Arrays of dipolar molecular rotors in Tris(o-phenylenedioxy) cyclotriphosphazene.

    PubMed

    Zhao, Ke; Dron, Paul I; Kaleta, Jiří; Rogers, Charles T; Michl, Josef

    2014-01-01

    Regular two-dimensional or three-dimensional arrays of mutually interacting dipolar molecular rotors represent a worthy synthetic objective. Their dielectric properties, including possible collective behavior, will be a sensitive function of the location of the rotors, the orientation of their axes, and the size of their dipoles. Host-guest chemistry is one possible approach to gaining fine control over these factors. We describe the progress that has been achieved in recent years using tris (o-phenylenedioxy)cyclotriphosphazene as a host and a series of rod-shaped dipolar molecular rotors as guests. Structures of both surface and bulk inclusion compounds have been established primarily by solid-state nuclear magnetic resonance (NMR) and powder X-ray diffraction (XRD) techniques. Low-temperature dielectric spectroscopy revealed rotational barriers as low as 1.5 kcal/mol, but no definitive evidence for collective behavior has been obtained so far. PMID:24563012

  7. Nonlinear localized modes in dipolar Bose-Einstein condensates in two-dimensional optical lattices

    NASA Astrophysics Data System (ADS)

    Rojas-Rojas, Santiago; Naether, Uta; Delgado, Aldo; Vicencio, Rodrigo A.

    2016-09-01

    We analyze the existence and properties of discrete localized excitations in a Bose-Einstein condensate loaded into a periodic two-dimensional optical lattice, when a dipolar interaction between atoms is present. The dependence of the Number of Atoms (Norm) on the energy of solutions is studied, along with their stability. Two important features of the system are shown, namely, the absence of the Norm threshold required for localized solutions to exist in finite 2D systems, and the existence of regions in the parameter space where two fundamental solutions are simultaneously unstable. This feature enables mobility of localized solutions, which is an uncommon feature in 2D discrete nonlinear systems. With attractive dipolar interaction, a non-trivial behavior of the Norm dependence is obtained, which is well described by an analytical model.

  8. Pulsed Field Gradient Selection in Two-Dimensional Magic Angle Spinning NMR Spectroscopy of Dipolar Solids

    NASA Astrophysics Data System (ADS)

    Fritzhanns, Tilo; Hafner, Siegfried; Demco, Dan E.; Spiess, Hans W.; Laukien, Frank H.

    1998-10-01

    The utility of gradient selection in MAS spectroscopy of dipolar solids is explored in two examples. In the first, rotor-synchronized gradients of appropriate strength and duration are applied to select1H double-quantum coherences. The resulting DQ MAS spectrum of adamantane is compared with that acquired by the corresponding phase-cycling technique. As a second example, a1H 2D exchange MAS experiment is performed on an elastomer sample. In this experiment, a gradient is applied to remove undesired coherences that would otherwise distort the spectrum for short mixing times. The diagonal-peak intensities in the resulting spectrum show a linear decrease with increasing mixing time indicating cross-relaxation by slow chain motions as the relevant process. Both types of experiments demonstrate the potential of gradient-selection techniques for MAS spectroscopy of dipolar solids.

  9. Controlling Asymmetric Remote and Cascade 1,3-Dipolar Cycloaddition Reactions by Organocatalysis.

    PubMed

    Poulsen, Pernille H; Vergura, Stefania; Monleón, Alicia; Jørgensen, Danny Kaare Bech; Jørgensen, Karl Anker

    2016-05-25

    The regio- and stereoselective control of cycloaddition reactions to polyconjugated systems has been demonstrated by applying asymmetric organocatalysis. Reaction of 2,4-dienals with nitrones allows for a highly regio- and stereoselective 1,3-dipolar cycloaddition in the presence of an aminocatalyst. The first cycloaddition on the remote olefin can be followed either by a cascade reaction or by other selective reactions of the remaining olefin. The chiral products are obtained in good to high yields and excellent diastereo- and enantioselectivities. The remote selective concept has been extended to 2,4,6-trienals by means of a novel enantioselective triple cascade 1,3-dipolar cycloaddition reaction. The formation of chiral poly 1,3-amino alcohols is also demonstrated. PMID:27160510

  10. Stability and structure of an anisotropically trapped dipolar Bose-Einstein condensate: Angular and linear rotons

    NASA Astrophysics Data System (ADS)

    Martin, A. D.; Blakie, P. B.

    2012-11-01

    We study theoretically Bose-Einstein condensates with polarized dipolar interactions in anisotropic traps. We map the parameter space by varying the trap frequencies and dipolar interaction strengths and find an irregular-shaped region of parameter space in which density-oscillating condensate states occur, with maximum density away from the trap center. These density-oscillating states may be biconcave (red-blood-cell-shaped), or have two or four peaks. For all trap frequencies, the condensate becomes unstable to collapse for sufficiently large dipole interaction strength. The collapse coincides with the softening of an elementary excitation. When the condensate mode is density oscillating, the character of the softening excitation is related to the structure of the condensate. We classify these excitations by linear and angular characteristics. We also find excited solutions to the Gross-Pitaevskii equation, which are always unstable.

  11. Single-particle versus pair superfluidity in a bilayer system of dipolar bosons

    NASA Astrophysics Data System (ADS)

    Macia, A.; Astrakharchik, G. E.; Mazzanti, F.; Giorgini, S.; Boronat, J.

    2014-10-01

    We consider the ground state of a bilayer system of dipolar bosons, where dipoles are oriented by an external field in the direction perpendicular to the parallel planes. Quantum Monte Carlo methods are used to calculate the ground-state energy, the one-body and two-body density matrix, and the superfluid response as a function of the separation between layers. We find that by decreasing the interlayer distance for fixed value of the strength of the dipolar interaction, the system undergoes a quantum phase transition from a single-particle to a pair superfluid. The single-particle superfluid is characterized by a finite value of both the atomic condensate and the super-counterfluid density. The pair superfluid phase is found to be stable against formation of many-body cluster states and features a gap in the spectrum of elementary excitations.

  12. Mean-field predictions for a dipolar Bose-Einstein condensate with 164Dy

    NASA Astrophysics Data System (ADS)

    Zajec, Damir; Wunner, Günter

    2015-11-01

    Dipolar Bose-Einstein condensates are systems well suited for the investigation of effects caused by the nonlocal and anisotropic dipole-dipole interaction. In this paper we are interested in properties which are directly connected to the realization of a condensate with 164Dy , such as stability and phase diagrams. Additionally, we study the expansion of dipolar condensates and find signatures of the dipole-dipole interaction in terms of structured states and a deviation of the well-known inversion of the aspect ratio of the cloud during a time of flight. Our analysis is based on the extended Gross-Pitaevskii equation, which we solve numerically exactly on a grid by means of an imaginary- and real-time evolution.

  13. Chemical structural studies of natural lignin by dipolar dephasing solid-state 13C nuclear magnetic resonance

    USGS Publications Warehouse

    Hatcher, P.G.

    1987-01-01

    Two natural lignins, one from a gymnosperm wood the other from angiosperm wood, were examined by conventional solid-state and dipolar dephasing 13C nuclear magnetic resonance (NMR) techniques. The results obtained from both techniques show that the structure of natural lignins is consistent with models of softwood and hardwood lignin. The dipolar dephasing NMR data provide a measure of the degree of substitution on aromatic rings which is consistent with the models. ?? 1987.

  14. Coexistence, Interfacial Energy, and the Fate of Microemulsions of 2D Dipolar Bosons

    NASA Astrophysics Data System (ADS)

    Moroni, Saverio; Boninsegni, Massimo

    2014-12-01

    The superfluid-crystal quantum phase transition of a system of purely repulsive dipolar bosons in two dimensions is studied by quantum Monte Carlo simulations at zero temperature. We determine freezing and melting densities and estimate the energy per unit length of a macroscopic interface separating the two phases. The results rule out the microemulsion scenario for any physical realization of this system, given the exceedingly large predicted size of the bubbles.

  15. Self-bound dipolar droplet: A localized matter wave in free space

    NASA Astrophysics Data System (ADS)

    Baillie, D.; Wilson, R. M.; Bisset, R. N.; Blakie, P. B.

    2016-08-01

    We demonstrate that a dipolar condensate can be prepared into a three-dimensional wave packet that remains localized when released in free space. Such self-bound states arise from the interplay of the two-body interactions and quantum fluctuations. We develop a phase diagram for the parameter regimes where these self-bound states are stable, examine their properties, and demonstrate how they can be produced in current experiments.

  16. Three-dimensional current systems and ionospheric effects associated with small dipolarization fronts

    NASA Astrophysics Data System (ADS)

    Palin, L.; Jacquey, C.; Opgenoorth, H.; Connors, M.; Sergeev, V.; Sauvaud, J.-A.; Nakamura, R.; Reeves, G. D.; Singer, H. J.; Angelopoulos, V.; Turc, L.

    2015-05-01

    We present a case study of eight successive plasma sheet (PS) activations (usually referred to as bursty bulk flows or dipolarization fronts), associated with small individual BZGSM increases on 31 March 2009 (0200-0900 UT), observed by the Time History of Events and Macroscale Interactions During Substorms mission. This series of events happens during very quiet solar wind conditions, over a period of 7 h preceding a substorm onset at 1230 UT. The amplitude of the dipolarizations increases with time. The low-amplitude dipolarization fronts are associated with few (1 or 2) rapid flux transport events (RFT, Eh>2 mV/m), whereas the large-amplitude ones encompass many more RFT events. All PS activations are associated with small and localized substorm current wedge (SCW)-like current system signatures, which seems to be the consequence of RFT arrival in the near tail. The associated ground magnetic perturbations affect a larger part of the contracted auroral oval when, in the magnetotail, more RFT are embedded in PS activations (>5). Dipolarization fronts with very low amplitude, a type usually not included in statistical studies, are of particular interest because we found even those to be associated with clear small SCW-like current system and particle injections at geosynchronous orbit. This exceptional data set highlights the role of flow bursts in the magnetotail and leads to the conclusion that we may be observing the smallest form of a substorm or rather its smallest element. This study also highlights the gradual evolution of the ionospheric current disturbance as the plasma sheet is observed to heat up.

  17. Dipolar field effects on the critical current for spin transfer switch of iron and permalloy nanoelements

    SciTech Connect

    Oliveira, L. L.; Dantas, J. T. S.; Souza, R. M.; Carriço, A. S.; Dantas, Ana L.

    2014-05-07

    We report a theoretical study of dipolar effects on the switching current density of soft ferromagnetic elliptical nanoelements. Relevant changes on the critical current value are found according to the orientation of the magnetization and the spin polarization with the major axis. We show that the critical current density may be reduced by as much as 92% for thin nanoelements magnetized along the minor axis direction, using in-plane spin polarization parallel to the magnetization.

  18. Responses of different ion species to fast plasma flows and local dipolarization in the plasma sheet

    NASA Astrophysics Data System (ADS)

    Ohtani, S.; Nosé, M.; Miyashita, Y.; Lui, A. T. Y.

    2015-01-01

    investigate the responses of different ion species (H+, He+, He++, and O+) to fast plasma flows and local dipolarization in the plasma sheet in terms of energy density. We use energetic (9-210 keV) ion composition measurements made by the Geotail satellite at r = 10~31 RE. The results are summarized as follows: (1) whereas the O+-to-H+ ratio decreases with earthward flow velocity, it increases with tailward flow velocity with steeper Vx dependence for perpendicular flows than for parallel flows; (2) for fast earthward flows, the energy density of each ion species increases without any clear preference for heavy ions; (3) for fast tailward flows, the ion energy density initially increases, then it decreases to below the preceding levels except for O+; (4) the O+-to-H+ ratio does not increase through local dipolarization irrespective of dipolarization amplitude, background Bz, X distance, and Vx; (5) in general, the H+ and He++ ions behave similarly. Result (1) can be attributed to radial transport in the presence of the earthward gradient of the background O+-to-H+ ratio. Results (2) and (4) suggest that ion energization at local dipolarization is not mass dependent in the energy range of our interest because the ions are not magnetized irrespective of species. Result (3) can be attributed to the thinning of the plasma sheet and the preferable field-aligned escape of the H+ ions on the tailward side of the reconnection site. Result (5) suggests that the solar wind is the primary source of the high-energy H+ ions.

  19. Auroral signatures of the plasma injection and dipolarization in the inner magnetosphere

    NASA Astrophysics Data System (ADS)

    Sergeev, V. A.; Kornilova, T. A.; Kornilov, I. A.; Angelopoulos, V.; Kubyshkina, M. V.; Fillingim, M.; Nakamura, R.; McFadden, J. P.; Larson, D.

    2010-02-01

    Using auroral TV data and particle precipitation data from low-altitude satellites, we identify the ionospheric signature of magnetotail dipolarizations and substorm injections measured in the near-Earth near-equatorial plasma sheet by Time History of Events and Macroscale Interactions during Substorms (THEMIS). Field line mapping exploits a recently developed time-dependent adaptive model which minimizes the variance to THEMIS in situ magnetotail observations. We present strong evidence that the equatorward edge of the auroral bulge corresponds to the innermost extent of earthward propagating dipolarization fronts in the magnetosphere, whereas individual equatorward moving auroral enhancements correspond to the motion of individual injection fronts reaching at times distances as close to Earth as 5.5 RE. The region of tail dipolarization corresponds to the auroral bulge, a broad spatial region of enhanced but structured auroral emissions, bounded on the poleward side by discrete auroral forms and on the equatorward side by a sharp drop in auroral luminosity and particle precipitation. Particle precipitation within the bulge is enhanced considerably at the energies above 30 keV. Ionospheric protons are isotropic and electrons are anisotropic but with fluctuating fluxes which are below, but on occasion comparable with, trapped levels. The equatorward edge of the bulge, herein termed the “Equatorward edge of Auroral Bulge” propagates during substorm expansion toward lower latitudes, initially fast (corresponding to 100 km/s in space at r ˜ 7 RE) but with decreasing speed after onset. Our adaptive model mapping suggests that equatorial points at near-geosynchronous altitude can map to ionospheric magnetic latitudes up to 2°-3° off of predictions using standard T96 models. The offsets can be either toward lower latitudes due to field line stretching before auroral breakup or toward higher latitudes after breakup due to the near-Earth tail dipolarization.

  20. Quantum spin ices and magnetic states from dipolar-octupolar doublets on the pyrochlore lattice

    NASA Astrophysics Data System (ADS)

    Chen, Gang

    We consider a class of electron systems in which dipolar-octupolar Kramers doublets arise on the pyrochlore lattice. In the localized limit, the Kramers doublets are described by the effective spin 1/2 pseudospins. The most general nearest-neighbor exchange model between these pseudospins is the XYZ model. In additional to dipolar ordered and octupolar ordered magnetic states, we show that this XYZ model exhibits two distinct quantum spin ice (QSI) phases, that we dub dipolar QSI and octupolar QSI. These two QSIs are distinct symmetry enriched U(1) quantum spin liquids, enriched by the lattice symmetry. Moreover, the XYZ model is absent from the notorious sign problem for a quantum Monte Carlo simulation in a large parameter space. We discuss the potential relevance to real material systems such as Dy2Ti2O7, Nd2Zr2O7, Nd2Hf2O7, Nd2Ir2O7, Nd2Sn2O7 and Ce2Sn2O7. chggst@gmail.com, Refs: Y-P Huang, G Chen, M Hermele, Phys. Rev. Lett. 112, 167203 (2014).

  1. New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition

    PubMed Central

    Payne, Karl A.P.; White, Mark D.; Fisher, Karl; Khara, Basile; Bailey, Samuel S.; Parker, David; Rattray, Nicholas J.W.; Trivedi, Drupad K.; Goodacre, Royston; Beveridge, Rebecca; Barran, Perdita; Rigby, Stephen E.J.; Scrutton, Nigel S.; Hay, Sam; Leys, David

    2016-01-01

    The ubiD/ubiX or the homologous fdc/pad genes have been implicated in the non-oxidative reversible decarboxylation of aromatic substrates, and play a pivotal role in bacterial ubiquinone biosynthesis1–3 or microbial biodegradation of aromatic compounds4–6 respectively. Despite biochemical studies on individual gene products, the composition and co-factor requirement of the enzyme responsible for in vivo decarboxylase activity remained unclear7–9. We show Fdc is solely responsible for (de)carboxylase activity, and that it requires a new type of cofactor: a prenylated flavin synthesised by the associated UbiX/Pad10. Atomic resolution crystal structures reveal two distinct isomers of the oxidized cofactor can be observed: an isoalloxazine N5-iminium adduct and a N5 secondary ketimine species with drastically altered ring structure, both having azomethine ylide character. Substrate binding positions the dipolarophile enoic acid group directly above the azomethine ylide group. The structure of a covalent inhibitor-cofactor adduct suggests 1,3-dipolar cycloaddition chemistry supports reversible decarboxylation in these enzymes. While 1,3-dipolar cycloaddition is commonly used in organic chemistry11–12, we propose this presents the first example of an enzymatic 1,3-dipolar cycloaddition reaction. Our model for Fdc/UbiD catalysis offers new routes in alkene hydrocarbon production or aryl (de)carboxylation. PMID:26083754

  2. Scattering of a two-soliton molecule by Gaussian potentials in dipolar Bose–Einstein condensates

    NASA Astrophysics Data System (ADS)

    Umarov, B. A.; Aklan, N. A. B.; Baizakov, B. B.; Abdullaev, F. Kh

    2016-06-01

    Two bright solitons in a dipolar Bose–Einstein condensate (BEC) can form stable bound states, known as soliton molecules. In this paper we study the scattering of a two-soliton molecule by external potential, using the simplest and analytically tractable Gaussian potential barriers and wells, in one spatial dimension. Collisions of soliton molecules with single solitons are investigated, the latter playing the role of a localized defect. Due to the long-range character of dipolar forces solitons interact with each other even though their waveforms do not appreciably overlap. This is an essentially different feature of dipolar solitons compared to their counterparts in BECs with contact atomic interactions. The result of scattering significantly depends on the potential’s strength and velocity of collision. For weak potentials and/or low velocity the molecule preserves its coherence, meantime the internal modes are excited. Scattering by strong potentials at moderately high velocity ends up with dissociation of the molecule. The theoretical model is based on the variational approximation for the nonlocal Gross–Pitaevskii equation (GPE). Predictions of the mathematical model are compared with numerical simulations of the nonlocal GPE, and good qualitative agreement between them is demonstrated.

  3. Magnetic dipolar interaction between correlated triplets created by singlet fission in tetracene crystals.

    PubMed

    Wang, Rui; Zhang, Chunfeng; Zhang, Bo; Liu, Yunlong; Wang, Xiaoyong; Xiao, Min

    2015-01-01

    Singlet fission can potentially break the Shockley-Queisser efficiency limit in single-junction solar cells by splitting one photoexcited singlet exciton (S1) into two triplets (2T1) in organic semiconductors. A dark multiexciton state has been proposed as the intermediate connecting S1 to 2T1. However, the exact nature of this multiexciton state, especially how the doubly excited triplets interact, remains elusive. Here we report a quantitative study on the magnetic dipolar interaction between singlet-fission-induced correlated triplets in tetracene crystals by monitoring quantum beats relevant to the multiexciton sublevels at room temperature. The resonances of multiexciton sublevels approached by tuning an external magnetic field are observed to be avoided, which agrees well with the theoretical predictions considering a magnetic dipolar interaction of ∼ 0.008 GHz. Our work quantifies the magnetic dipolar interaction in certain organic materials and marks an important step towards understanding the underlying physics of the multiexciton state in singlet fission. PMID:26456368

  4. Tunable dipolar resonances and Einstein-de Haas effect in a Rb87-atom condensate

    NASA Astrophysics Data System (ADS)

    Świsłocki, Tomasz; Sowiński, Tomasz; Pietraszewicz, Joanna; Brewczyk, Mirosław; Lewenstein, Maciej; Zakrzewski, Jakub; Gajda, Mariusz

    2011-06-01

    We theoretically study a spinor condensate of Rb87 atoms in a F=1 hyperfine state confined in an optical dipole trap. Putting initially all atoms in an mF=1, component we observe a significant transfer of atoms to other, initially empty Zeeman states exclusively due to dipolar forces. Because of conservation of a total angular momentum the atoms going to other Zeeman components acquire an orbital angular momentum and circulate around the center of the trap. This is a realization of the Einstein-de Haas effect in a system of cold gases. We show that the transfer of atoms via dipolar interactions is possible only when the energies of the initial and the final sates are equal. This condition can be fulfilled utilizing a resonant external magnetic field, which tunes energies of involved states via the linear Zeeman effect. We found that there are many final states of different spatial density, which can be tuned selectively to the initial state. We show a simple model explaining high selectivity and controllability of weak dipolar interactions in the condensate of Rb87 atoms.

  5. Theoretical Study of Dual-Direction Dipolar Excitation of Ions in Linear Ion Traps

    NASA Astrophysics Data System (ADS)

    Dang, Qiankun; Xu, Fuxing; Wang, Liang; Huang, Xiaohua; Dai, Xinhua; Fang, Xiang; Wang, Rizhi; Ding, Chuan-Fan

    2016-04-01

    The ion enhanced activation and collision-induced dissociation (CID) by simultaneous dipolar excitation of ions in the two radial directions of linear ion trap (LIT) have been recently developed and tested by experiment. In this work, its detailed properties were further studied by theoretical simulation. The effects of some experimental parameters such as the buffer gas pressure, the dipolar excitation signal phases, power amplitudes, and frequencies on the ion trajectory and energy were carefully investigated. The results show that the ion activation energy can be significantly increased by dual-direction excitation using two identical dipolar excitation signals because of the addition of an excitation dimension and the fact that the ion motion radius related to ion kinetic energy can be greater than the field radius. The effects of higher-order field components, such as dodecapole field on the performance of this method are also revealed. They mainly cause ion motion frequency shift as ion motion amplitude increases. Because of the frequency shift, there are different optimized excitation frequencies in different LITs. At the optimized frequency, ion average energy is improved significantly with relatively few ions lost. The results show that this method can be used in different kinds of LITs such as LIT with 4-fold symmetric stretch, linear quadrupole ion trap, and standard hyperbolic LIT, which can significantly increase the ion activation energy and CID efficiency, compared with the conventional method.

  6. Magnetic dipolar interaction between correlated triplets created by singlet fission in tetracene crystals

    PubMed Central

    Wang, Rui; Zhang, Chunfeng; Zhang, Bo; Liu, Yunlong; Wang, Xiaoyong; Xiao, Min

    2015-01-01

    Singlet fission can potentially break the Shockley–Queisser efficiency limit in single-junction solar cells by splitting one photoexcited singlet exciton (S1) into two triplets (2T1) in organic semiconductors. A dark multiexciton state has been proposed as the intermediate connecting S1 to 2T1. However, the exact nature of this multiexciton state, especially how the doubly excited triplets interact, remains elusive. Here we report a quantitative study on the magnetic dipolar interaction between singlet-fission-induced correlated triplets in tetracene crystals by monitoring quantum beats relevant to the multiexciton sublevels at room temperature. The resonances of multiexciton sublevels approached by tuning an external magnetic field are observed to be avoided, which agrees well with the theoretical predictions considering a magnetic dipolar interaction of ∼0.008 GHz. Our work quantifies the magnetic dipolar interaction in certain organic materials and marks an important step towards understanding the underlying physics of the multiexciton state in singlet fission. PMID:26456368

  7. Theoretical Study of Dual-Direction Dipolar Excitation of Ions in Linear Ion Traps.

    PubMed

    Dang, Qiankun; Xu, Fuxing; Wang, Liang; Huang, Xiaohua; Dai, Xinhua; Fang, Xiang; Wang, Rizhi; Ding, Chuan-Fan

    2016-04-01

    The ion enhanced activation and collision-induced dissociation (CID) by simultaneous dipolar excitation of ions in the two radial directions of linear ion trap (LIT) have been recently developed and tested by experiment. In this work, its detailed properties were further studied by theoretical simulation. The effects of some experimental parameters such as the buffer gas pressure, the dipolar excitation signal phases, power amplitudes, and frequencies on the ion trajectory and energy were carefully investigated. The results show that the ion activation energy can be significantly increased by dual-direction excitation using two identical dipolar excitation signals because of the addition of an excitation dimension and the fact that the ion motion radius related to ion kinetic energy can be greater than the field radius. The effects of higher-order field components, such as dodecapole field on the performance of this method are also revealed. They mainly cause ion motion frequency shift as ion motion amplitude increases. Because of the frequency shift, there are different optimized excitation frequencies in different LITs. At the optimized frequency, ion average energy is improved significantly with relatively few ions lost. The results show that this method can be used in different kinds of LITs such as LIT with 4-fold symmetric stretch, linear quadrupole ion trap, and standard hyperbolic LIT, which can significantly increase the ion activation energy and CID efficiency, compared with the conventional method. Graphical Abstract ᅟ. PMID:26810433

  8. Sulfone-Containing Dipolar Glass Polymers with High Dielectric Constant and Low Loss Property

    NASA Astrophysics Data System (ADS)

    Zhu, Yufeng; Zhang, Zhongbo; Litt, Morton; Zhu, Lei

    Sulfone-containing polyoxetanes are designed and synthesized for high dielectric constant and low loss dipolar glasses. The precursor polymer, poly(3,3-bis(chloromethyl)oxetane) (PBCMO) is synthesized by bulk cationic polymerization with boron trifluoride diethyl etherate as initiator. The number-average molecular weight of PBCMO is 73 kDa, with a polydispersity of 1.53 as obtained from size-exclusion chromatography results. Post-modification of PBCMO yields the dipolar glass polymer, poly(3,3-bis(methylsulfonylmethyl)oxetane) (MST). Nuclear magnetic resonance result shows 100% conversion. Differential scanning calorimetry result indicates that MST has a glass transition temperature of ca. 120 °C. Due to the large dipole moment (4.25 D) and small size of the side-chain sulfone groups, MST exhibits a high dielectric constant of 8.7 and a low dissipation factor of 0.01 at 25 °C and 1 Hz. This study suggests that dipolar glass polymers with large dipole moments and small-sized dipoles in the side chains are promising candidates for high energy density and low loss dielectric applications. This work is supported by NSF Polymers Program (DMR-1402733).

  9. Chain-based order and quantum spin liquids in dipolar spin ice

    NASA Astrophysics Data System (ADS)

    McClarty, P. A.; Sikora, O.; Moessner, R.; Penc, K.; Pollmann, F.; Shannon, N.

    2015-09-01

    Recent experiments on the spin-ice material Dy2Ti2O7 suggest that the Pauling "ice entropy," characteristic of its classical Coulombic spin-liquid state, may be lost at low temperatures [Pomaranski et al., Nat. Phys. 9, 353 (2013), 10.1038/nphys2591]. However, despite nearly two decades of intensive study, the nature of the equilibrium ground state of spin ice remains uncertain. Here we explore how long-range dipolar interactions D , short-range exchange interactions, and quantum fluctuations combine to determine the ground state of dipolar spin ice. We identify the organizational principle that ordered ground states are selected from a set of "chain states" in which dipolar interactions are exponentially screened. Using both quantum and classical Monte Carlo simulation, we establish phase diagrams as a function of quantum tunneling g and temperature T , and find that only a very small gc≪D is needed to stabilize a quantum spin liquid ground state. We discuss the implications of these results for Dy2Ti2O7 .

  10. Dynamic mesoscale model of dipolar fluids via fluctuating hydrodynamics

    SciTech Connect

    Persson, Rasmus A. X.; Chu, Jhih-Wei; Voulgarakis, Nikolaos K.

    2014-11-07

    Fluctuating hydrodynamics (FHD) is a general framework of mesoscopic modeling and simulation based on conservational laws and constitutive equations of linear and nonlinear responses. However, explicit representation of electrical forces in FHD has yet to appear. In this work, we devised an Ansatz for the dynamics of dipole moment densities that is linked with the Poisson equation of the electrical potential ϕ in coupling to the other equations of FHD. The resulting ϕ-FHD equations then serve as a platform for integrating the essential forces, including electrostatics in addition to hydrodynamics, pressure-volume equation of state, surface tension, and solvent-particle interactions that govern the emergent behaviors of molecular systems at an intermediate scale. This unique merit of ϕ-FHD is illustrated by showing that the water dielectric function and ion hydration free energies in homogeneous and heterogenous systems can be captured accurately via the mesoscopic simulation. Furthermore, we show that the field variables of ϕ-FHD can be mapped from the trajectory of an all-atom molecular dynamics simulation such that model development and parametrization can be based on the information obtained at a finer-grained scale. With the aforementioned multiscale capabilities and a spatial resolution as high as 5 Å, the ϕ-FHD equations represent a useful semi-explicit solvent model for the modeling and simulation of complex systems, such as biomolecular machines and nanofluidics.

  11. Catalytic Enantioselective 1,3-Dipolar Cycloadditions of Azomethine Ylides for Biology-Oriented Synthesis

    PubMed Central

    2014-01-01

    Conspectus Cycloaddition reactions are among the most powerful methods for the synthesis of complex compounds. In particular, the development and application of the 1,3-dipolar cycloaddition, an important member of this reaction class, has grown immensely due to its powerful ability to efficiently build various five-membered heterocycles. Azomethine ylides are commonly used as dipoles for the synthesis of the pyrrolidine scaffold, which is an important motif in natural products, pharmaceuticals, and biological probes. The reaction between azomethine ylides and cyclic dipolarophiles allows access to polycyclic products with considerable complexity. The extensive application of the 1,3-dipolar cycloaddition is based on the fact that the desired products can be obtained with high yield in a regio- and stereocontrolled manner. The most attractive feature of the 1,3-dipolar cycloaddition of azomethine ylides is the possibility to generate pyrrolidines with multiple stereocenters in a single step. The development of enantioselective cycloadditions became a subject of intensive and impressive studies in recent years. Among many modes of stereoinduction, the application of chiral metal–ligand complexes has emerged as the most viable option for control of enantioselectivity. In chemical biology research based on the principle of biology-oriented synthesis (BIOS), compound collections are prepared inspired by natural product scaffolds. In BIOS, biological relevance is employed as the key criterion to generate hypotheses for the design and synthesis of focused compound libraries. In particular, the underlying scaffolds of natural product classes provide inspiration for BIOS because they define the areas of chemical space explored by nature, and therefore, they can be regarded as “privileged”. The scaffolds of natural products are frequently complex and rich in stereocenters, which necessitates the development of efficient enantioselective methodologies. This Account

  12. Catalytic enantioselective 1,3-dipolar cycloadditions of azomethine ylides for biology-oriented synthesis.

    PubMed

    Narayan, Rishikesh; Potowski, Marco; Jia, Zhi-Jun; Antonchick, Andrey P; Waldmann, Herbert

    2014-04-15

    Cycloaddition reactions are among the most powerful methods for the synthesis of complex compounds. In particular, the development and application of the 1,3-dipolar cycloaddition, an important member of this reaction class, has grown immensely due to its powerful ability to efficiently build various five-membered heterocycles. Azomethine ylides are commonly used as dipoles for the synthesis of the pyrrolidine scaffold, which is an important motif in natural products, pharmaceuticals, and biological probes. The reaction between azomethine ylides and cyclic dipolarophiles allows access to polycyclic products with considerable complexity. The extensive application of the 1,3-dipolar cycloaddition is based on the fact that the desired products can be obtained with high yield in a regio- and stereocontrolled manner. The most attractive feature of the 1,3-dipolar cycloaddition of azomethine ylides is the possibility to generate pyrrolidines with multiple stereocenters in a single step. The development of enantioselective cycloadditions became a subject of intensive and impressive studies in recent years. Among many modes of stereoinduction, the application of chiral metal-ligand complexes has emerged as the most viable option for control of enantioselectivity. In chemical biology research based on the principle of biology-oriented synthesis (BIOS), compound collections are prepared inspired by natural product scaffolds. In BIOS, biological relevance is employed as the key criterion to generate hypotheses for the design and synthesis of focused compound libraries. In particular, the underlying scaffolds of natural product classes provide inspiration for BIOS because they define the areas of chemical space explored by nature, and therefore, they can be regarded as "privileged". The scaffolds of natural products are frequently complex and rich in stereocenters, which necessitates the development of efficient enantioselective methodologies. This Account highlights examples

  13. Spin waves in ferromagnetic insulators coupled via a normal metal

    NASA Astrophysics Data System (ADS)

    Skarsvâg, Hans; Kapelrud, André; Brataas, Arne

    2014-09-01

    Herein, we study spin-wave dispersion and dissipation in a ferromagnetic insulator-normal metal-ferromagnetic insulator system. Long-range dynamic coupling because of spin pumping and spin transfer lead to collective magnetic excitations in the two thin-film ferromagnets. In addition, the dynamic dipolar field contributes to the interlayer coupling. By solving the Landau-Lifshitz-Gilbert-Slonczewski equation for macrospin excitations and the exchange-dipole volume as well as surface spin waves, we compute the effect of the dynamic coupling on the resonance frequencies and linewidths of the various modes. The long-wavelength modes may couple acoustically or optically. In the absence of spin-memory loss in the normal metal, the spin-pumping-induced Gilbert damping enhancement of the acoustic mode vanishes, whereas the optical mode acquires a significant Gilbert damping enhancement, comparable to that of a system attached to a perfect spin sink. The dynamic coupling is reduced for short-wavelength spin waves, and there is no synchronization. For intermediate wavelengths, the coupling can be increased by the dipolar field such that the modes in the two ferromagnetic insulators can couple despite possible small frequency asymmetries. The surface waves induced by an easy-axis surface anisotropy exhibit much greater Gilbert damping enhancement. These modes also may acoustically or optically couple, but they are unaffected by thickness asymmetries.

  14. Magneto-thermally activated spin-state transition in La0.95Ca0.05CoO3: magnetically-tunable dipolar glass and giant magneto-electricity.

    PubMed

    Pandey, Suchita; Kumar, Jitender; Awasthi, A M

    2016-03-01

    The magneto-dielectric spectroscopy of La0.95Ca0.05CoO3 covering the crossover of spin states reveals the strong coupling of its spin and dipolar degrees of freedom. The signature of the spin-state transition at 30 K clearly manifests in the magnetization data at a 1 Tesla optimal field. Our Co L3,2-edge X-ray absorption spectrum on the doped specimen is consistent with its suppressed low-to-intermediate spin-state transition temperature at ∼30 K compared to ∼150 K, documented for pure LaCoO3. The dispersive activation step in the dielectric constant with the associated relaxation peak in imaginary permittivity characterize the allied influence of coexistent spin-states on the dielectric character. Dipolar relaxation in the low-spin regime below the transition temperature is partly segmental (Vogel-Fulcher-Tamman (VFT) kinetics) and features magnetic-field tunability, whereas in the low/intermediate-spin disordered state above ∼30 K, it is uncorrelated (Arrhenic kinetics) and almost impervious to the magnetic field H. Kinetics-switchover defines the dipolar-glass transition temperature Tg(H) (=27 K|0T), below which their magneto-thermally-activated cooperative relaxations freeze out by the VFT temperature T0(H) (=15 K|0T). An applied magnetic field facilitates thermal activation in toggling the low spins up into the intermediate states. Consequently, the downsized dipolar-glass segments in the low-spin state and the independent dipoles in the intermediate state exhibit accelerated dynamics. A critical 5 Tesla field collapses the entire relaxation kinetics into a single Arrhenic behaviour, signaling that the dipolar glass is completely devitrified under all higher fields. The magneto-electricity (ME) spanning sizeable thermo-spectral range registers diverse signatures here in kinetic, spectral, and field behaviors, in contrast to the static/perturbative ME observed close to the spin-ordering in typical multiferroics. Intrinsic magneto-dielectricity (50%) along

  15. HN(α/β-COCA-J) Experiment for Measurement of 1JC‧Cα Couplings from Two-Dimensional [15N, 1H] Correlation Spectrum

    NASA Astrophysics Data System (ADS)

    Permi, Perttu; Sorsa, Tia; Kilpeläinen, Ilkka; Annila, Arto

    1999-11-01

    Anew method for measurement of one-bond 13C‧-13Cα scalar and dipolar couplings from a two-dimensional [15N, 1H] correlation spectrum is presented. The experiment is based on multiple-quantum coherence, which is created between nitrogen and carbonyl carbon for simultaneous evolution of 15N chemical shift and coupling between 13C‧ and 13Cα. Optional subspectral editing is provided by the spin-state-selective filters. The residual dipolar dipolar contribution to the 13C‧-13Cα coupling can be measured from these simplified [15N, 1H]-HSQC-like spectra. In this way, without explicit knowledge of carbon assignments, conformational changes of proteins dissolved in dilute liquid crystals can be probed conveniently, e.g., in structure activity relationship by NMR studies. The method is demonstrated with human cardiac troponin C.

  16. Intramitochondrial positions of cytochrome haem groups determined by dipolar interactions with paramagnetic cations.

    PubMed Central

    Case, G D; Leigh, J S

    1976-01-01

    E.p.r.(electron-paramagnetic-resonance) spectra of the ferricytochromes were studied in normal and 'nickel-plated' pigeon heart mitochondria and pigeon heart submitochondrial particles. NiCL2 added to either mitochondria or particles was bound completely to the membranes, but none was transported across the vesicles. Hence, any perturbations of the haem e.p.r. spectra by Ni(II) should occur only for those cytochromes in close proximity to the exterior surface. Whenever Ni(II) can approach to within 1 nm of cytochrome haem. the consequent acceleration of the haem e.p.r. relaxation kinetics should elicit dipolar line broadening. Relaxation acceleration should also increase the incident power level required to saturate the haem e.p.r. signal. In pigeon heart mitochondria, at least three e.p.r. resonances, attributable in part to cytochromes c1, bK and br, are observed at gz=3.3 resonance. In these submitochondrial particles, the peak at gz=3.5 is missing, and the resonance at gz=3.6 resolves into two components, neither of which is sensitive to added Ni(ii). Addition of free haemin (ferric, a paramagnetic anion) to intact mitochondria elicits the same e.p.r. signal changes as does a preparation of submitochondrial particles. Saturation curves for cytochrome oxidase obtained for e.p.r. spectra of the high-spin form (g = 6) and the low-spin form (gz=3.1) also reveal no effect of Ni(II) on the haem e.p.r. relaxation in either mitochondria or inverted submitochondrial particles. Further, Ni(II) fails to alter the spectra or saturation properties of cytochrome c in either mitochondria or submitochondrial particles therefrom. Only with a 50-fold molar excess of Ni(II) can one accelerate the e.p.r. relaxation of cytochrome c in aqueous solution, although other more subtle types of magnetic interactions may occur between the cytochrome and either Ni(II) or ferricyanide. Addition of haemin to mitochondria likewise failed to alter the e.p.r. characteristics of either cytochrome

  17. Fortran and C programs for the time-dependent dipolar Gross-Pitaevskii equation in an anisotropic trap

    NASA Astrophysics Data System (ADS)

    Kumar, R. Kishor; Young-S., Luis E.; Vudragović, Dušan; Balaž, Antun; Muruganandam, Paulsamy; Adhikari, S. K.

    2015-10-01

    Many of the static and dynamic properties of an atomic Bose-Einstein condensate (BEC) are usually studied by solving the mean-field Gross-Pitaevskii (GP) equation, which is a nonlinear partial differential equation for short-range atomic interaction. More recently, BEC of atoms with long-range dipolar atomic interaction are used in theoretical and experimental studies. For dipolar atomic interaction, the GP equation is a partial integro-differential equation, requiring complex algorithm for its numerical solution. Here we present numerical algorithms for both stationary and non-stationary solutions of the full three-dimensional (3D) GP equation for a dipolar BEC, including the contact interaction. We also consider the simplified one- (1D) and two-dimensional (2D) GP equations satisfied by cigar- and disk-shaped dipolar BECs. We employ the split-step Crank-Nicolson method with real- and imaginary-time propagations, respectively, for the numerical solution of the GP equation for dynamic and static properties of a dipolar BEC. The atoms are considered to be polarized along the z axis and we consider ten different cases, e.g., stationary and non-stationary solutions of the GP equation for a dipolar BEC in 1D (along x and z axes), 2D (in x- y and x- z planes), and 3D, and we provide working codes in Fortran 90/95 and C for these ten cases (twenty programs in all). We present numerical results for energy, chemical potential, root-mean-square sizes and density of the dipolar BECs and, where available, compare them with results of other authors and of variational and Thomas-Fermi approximations.

  18. Improved 1H amide resonance line narrowing in oriented sample solid-state NMR of membrane proteins in phospholipid bilayers

    NASA Astrophysics Data System (ADS)

    Lu, George J.; Park, Sang Ho; Opella, Stanley J.

    2012-07-01

    We demonstrate 1H amide resonance line widths <300 Hz in 1H/15N heteronuclear correlation (HETCOR) spectra of membrane proteins in aligned phospholipid bilayers. This represents a substantial improvement over typically observed line widths of ˜1 kHz. Furthermore, in a proton detected local field (PDLF) version of the experiment that measures heteronuclear dipolar couplings, line widths <130 Hz are observed. This dramatic line narrowing of 1H amide resonances enables many more individual signals to be resolved and assigned from uniformly 15N labeled membrane proteins in phospholipid bilayers under physiological conditions of temperature and pH. Finding that the decrease in line widths occurs only for membrane proteins that undergo fast rotational diffusion around the bilayer normal, but not immobile molecules, such as peptide single crystals, identifies a potential new direction for pulse sequence development that includes overall molecular dynamics in their design.

  19. Orientation resolving dipolar high-field EPR spectroscopy on disordered solids: II. Structure of spin-correlated radical pairs in photosystem I.

    PubMed

    Savitsky, A; Niklas, J; Golbeck, J H; Möbius, K; Lubitz, W

    2013-09-26

    The distance and relative orientation of functional groups within protein domains and their changes during chemical reactions determine the efficiency of biological processes. In this work on electron transfer proteins, we report the results of orientation resolving dipolar high-field EPR spectroscopy on the charge-separated state P700•+ A1•– (P700, primary electron donor; A1, phylloquinone electron acceptor) in Photosystem I (PS I). Pulsed high-field EPR spectroscopy at W-band (95 GHz, 3.4 T) with extensions to PELDOR (pulsed electron–electron double resonance) and RIDME (relaxation-induced dipolar modulation enhancement) was utilized to obtain the parameters describing the three-dimensional structure of the laser-flash-induced transient radical pair P700•+ A1•– in a frozen solution of deuterated PS I from the cyanobacterium Synechocystis sp. PCC 6803, which is performing oxygenic photosynthesis. The measured distances and relative orientations of the weakly coupled radical ions in the radical pair P700•+ A1•– are compared with previously reported geometries and with those of the precursor cofactors P700 and A1 known from X-ray crystallography. Cyclic electron transfer was found to proceed exclusively via the A-branch of the cofactor chain of PS I at cryogenic temperature. The position and orientation of the reduced phylloquinone coincide with those of the precursor, revealing that no substantial orientational changes of the phylloquinone molecule upon charge separation occur. Several distinct orientations of the P700•+ g-tensor axes with respect to the molecular frame of the primary donor were found experimentally, which we explain by several conformational substates of the P700•+ radical structure having slightly different electron spin density distributions. PMID:23642108

  20. NMR assignments, secondary structure, and global fold of calerythrin, an EF-hand calcium-binding protein from Saccharopolyspora erythraea.

    PubMed Central

    Aitio, H.; Annila, A.; Heikkinen, S.; Thulin, E.; Drakenberg, T.; Kilpeläinen, I.

    1999-01-01

    Calerythrin is a 20 kDa calcium-binding protein isolated from gram-positive bacterium Saccharopolyspora erythraea. Based on amino acid sequence homology, it has been suggested that calerythrin belongs to the family of invertebrate sarcoplasmic EF-hand calcium-binding proteins (SCPs), and therefore it is expected to function as a calcium buffer. NMR spectroscopy was used to obtain structural information on the protein in solution. Backbone and side chain 1H, 13C, and 15N assignments were obtained from triple resonance experiments HNCACB, HN(CO)CACB, HNCO, CC(CO)NH, and [15N]-edited TOCSY, and HCCH-TOCSY. Secondary structure was determined by using secondary chemical shifts and characteristic NOEs. In addition, backbone N-H residual dipolar couplings were measured from a spin-state selective [1H, 15N] correlation spectrum acquired from a sample dissolved in a dilute liquid crystal. Four EF-hand motifs with characteristic helix-loop-helix patterns were observed. Three of these are typical calcium-binding EF-hands, whereas site 2 is an atypical nonbinding site. The global fold of calerythrin was assessed by dipolar couplings. Measured dipolar couplings were compared with values calculated from four crystal structures of proteins with sequence homology to calerythrin. These data allowed us to recognize an overall similarity between the folds of calerythrin and sarcoplasmic calcium-binding proteins from the sandworm Nereis diversicolor and the amphioxus Branchiostoma lanceolatum. PMID:10631973

  1. Observation of coupled vortex gyrations by 70-ps-time and 20-nm-space- resolved full-field magnetic transmission soft x-ray microscopy

    SciTech Connect

    Jung, Hyunsung; Yu, Young-Sang; Lee, Ki-Suk; Im, Mi-Young; Fischer, Peter; Bocklage, Lars; Vogel, Andreas; Bolte, Markus; Meier, Guido; Kim, Sang-Koog

    2010-09-01

    We employed time-and space-resolved full-field magnetic transmission soft x-ray microscopy to observe vortex-core gyrations in a pair of dipolar-coupled vortex-state Permalloy (Ni{sub 80}Fe{sub 20}) disks. The 70 ps temporal and 20 nm spatial resolution of the microscope enabled us to simultaneously measure vortex gyrations in both disks and to resolve the phases and amplitudes of both vortex-core positions. We observed their correlation for a specific vortex-state configuration. This work provides a robust and direct method of studying vortex gyrations in dipolar-coupled vortex oscillators.

  2. Simulations of dipolar fluids using effective many-body isotropic interactions.

    PubMed

    Sindt, Julien O; Camp, Philip J

    2015-07-14

    The partition function of a system with pairwise-additive anisotropic dipole-dipole interactions is equal to that of a hypothetical system with many-body isotropic interactions [G. Stell, Phys. Rev. Lett. 32, 286 (1974)]. The effective many-body interactions contain n-body contributions of all orders. Each contribution is known as an expansion in terms of the particle-particle distances r, and the coefficients are temperature dependent. The leading-order two-body term is the familiar -r(-6) attraction, and the leading-order three-body term is equivalent to the Axilrod-Teller interaction. In this work, a fluid of particles with the leading-order two-body and three-body interactions is compared to an equivalent dipolar soft-sphere fluid. Molecular simulations are used to determine the conditions under which the effective many-body interactions reproduce the fluid-phase structures of the dipolar system. The effective many-body interaction works well at moderately high temperatures but fails at low temperatures where particle chaining is expected to occur. It is shown that an adjustment of the coefficients of the two-body and three-body terms leads to a good description of the structure of the dipolar fluid even in the chaining regime, due primarily to the ground-state linear configuration of the three-body Axilrod-Teller interaction. The vapor-liquid phase diagrams of systems with different Axilrod-Teller contributions are determined. As the strength of the three-body interaction is increased, the critical temperature and density both decrease and disappear completely above a threshold strength, where chaining eventually suppresses the condensation transition. PMID:26178112

  3. Dipolar field-induced spin-wave waveguides for spin-torque magnonics

    NASA Astrophysics Data System (ADS)

    Demidov, V. E.; Urazhdin, S.; Zholud, A.; Sadovnikov, A. V.; Demokritov, S. O.

    2015-01-01

    We use high-resolution imaging to study the propagation of spin waves in magnonic waveguides created by the dipolar magnetic fields of microscopic patterns. We show that the characteristics of spin-wave modes in such waveguides depend strongly on their geometry. In particular, by tuning the geometrical parameters, field-induced confinement for both the edge and the center waveguide modes can be achieved, enabling control over the spin-wave transmission characteristics. The studied waveguiding structures are particularly promising for the implementation of magnonic devices utilizing spin-torque phenomena.

  4. Persistent Superfluid Flow Arising from the He-McKellar-Wilkens Effect in Molecular Dipolar Condensates.

    PubMed

    Wood, A A; McKellar, B H J; Martin, A M

    2016-06-24

    We show that the He-McKellar-Wilkens effect can induce a persistent flow in a Bose-Einstein condensate of polar molecules confined in a toroidal trap, with the dipolar interaction mediated via an electric dipole moment. For Bose-Einstein condensates of atoms with a magnetic dipole moment, we show that although it is theoretically possible to induce persistent flow via the Aharonov-Casher effect, the strength of the electric field required is prohibitive. We also outline an experimental geometry tailored specifically for observing the He-McKellar-Wilkens effect in toroidally trapped condensates. PMID:27391706

  5. Biological colloid engineering: Self-assembly of dipolar ferromagnetic chains in a functionalized biogenic ferrofluid

    NASA Astrophysics Data System (ADS)

    Ruder, Warren C.; Hsu, Chia-Pei D.; Edelman, Brent D.; Schwartz, Russell; LeDuc, Philip R.

    2012-08-01

    We have studied the dynamic behavior of nanoparticles in ferrofluids consisting of single-domain, biogenic magnetite (Fe3O4) isolated from Magnetospirillum magnetotacticum (MS-1). Although dipolar chains form in magnetic colloids in zero applied field, when dried upon substrates, the solvent front disorders nanoparticle aggregation. Using avidin-biotin functionalization of the particles and substrate, we generated self-assembled, linear chain motifs that resist solvent front disruption in zero-field. The engineered self-assembly process we describe here provides an approach for the creation of ordered magnetic structures that could impact fields ranging from micro-electro-mechanical systems development to magnetic imaging of biological structures.

  6. Vortex dipolar structures in a rigid model of the larynx at flow onset

    NASA Astrophysics Data System (ADS)

    Chisari, N. E.; Artana, G.; Sciamarella, D.

    2011-02-01

    Starting jet airflow is investigated in a channel with a pair of consecutive slitted constrictions approximating the true and false vocal folds in the human larynx. The flow is visualized using the Schlieren optical technique and simulated by solving the Navier-Stokes equations for an incompressible two-dimensional viscous flow. Laboratory and numerical experiments show the spontaneous formation of three different classes of vortex dipolar structures in several regions of the laryngeal profile under conditions that may be assimilated to those of voice onset.

  7. Two-Dimensional Trapping of Dipolar Molecules in Time-Varying Electric Fields

    NASA Astrophysics Data System (ADS)

    Junglen, T.; Rieger, T.; Rangwala, S. A.; Pinkse, P. W.; Rempe, G.

    2004-06-01

    Simultaneous two-dimensional trapping of neutral dipolar molecules in low- and high-field seeking states is analyzed. A trapping potential of the order of 20mK can be produced for molecules such as ND3 with time-dependent electric fields. The analysis is in agreement with an experiment where slow molecules with longitudinal velocities of the order of 20 m/s are guided between four 50cm long rods driven by an alternating electric potential at a frequency of a few kHz.

  8. Single molecule tunneling spectroscopy investigation of reversibly switched dipolar vanadyl phthalocyanine on graphite

    SciTech Connect

    Zhang, Jialin; Wang, Zhunzhun; Li, Zhenyu E-mail: phycw@nus.edu.sg; Niu, Tianchao; Chen, Wei E-mail: phycw@nus.edu.sg

    2014-03-17

    We report a spatially resolved scanning tunneling spectroscopy (STS) investigation of reversibly switchable dipolar vanadyl phthalocyanine (VOPc) on graphite by using low temperature scanning tunneling microscopy. VOPc molecule can be switched between O-up and O-down configurations by changing the polarity of the pulse voltage applied to the tip, actuated by the inelastic tunneling electrons. The spatially resolved STS measurements allow the identification of the electronic structures of VOPc with different dipole orientation. The present approach provides geometry images and electronic characterization of a molecular switch on surface spontaneously.

  9. Charged, dipolar soft matter systems from a combined microscopic–mesoscopic viewpoint

    NASA Astrophysics Data System (ADS)

    Schröder, Christian; Steinhauser, Othmar

    2016-09-01

    As an example of charged, dipolar soft matter, the ionic liquid 1-ethyl-3-methyl-imidazolium dicyanamide is studied by coarse-grained molecular dynamics simulations. We focus on the link between microscopic and mesoscopic properties for both structure and dynamics. Thereby, the generalized Kirkwood g K-factor plays a central role in establishing this link which is not possible on the basis of molecular hydrodynamics. The decoupling between translational and rotational motion is indicative of the dynamical heterogeneity in ionic liquids.

  10. Structure, Bose-Einstein condensation, and superfluidity of two-dimensional confined dipolar assemblies

    SciTech Connect

    Jain, Piyush; Cinti, Fabio; Boninsegni, Massimo

    2011-07-01

    Low-temperature properties of harmonically confined two-dimensional assemblies of dipolar bosons are systematically investigated by Monte Carlo simulations. Calculations carried out for different numbers of particles and strengths of the confining potential yield evidence of a quantum phase transition from a superfluid to a crystal-like phase, consistently with what is observed in the homogeneous system. It is found that the crystal phase nucleates in the center of the trap, as the density increases. Bose-Einstein condensation vanishes at T=0 upon entering the crystalline phase, concurrently with the disappearance of the superfluid response.

  11. Triazol-substituted titanocenes by strain-driven 1,3-dipolar cycloadditions

    PubMed Central

    Okkel, Andreas; Schwach, Lukas; Wagner, Laura; Selig, Anja; Prokop, Aram

    2014-01-01

    Summary An operationally simple, convenient, and mild strategy for the synthesis of triazole-substituted titanocenes via strain-driven 1,3-dipolar cycloadditions between azide-functionalized titanocenes and cyclooctyne has been developed. It features the first synthesis of titanocenes containing azide groups. These compounds constitute ‘second-generation’ functionalized titanocene building blocks for further synthetic elaboration. Our synthesis is modular and large numbers of the complexes can in principle be prepared in short periods of time. Some of the triazole-substituted titanocenes display high cyctotoxic activity against BJAB cells. Comparison of the most active complexes allows the identification of structural features essential for biological activity. PMID:25161720

  12. Thermodynamics of a two-dimensional dipolar Bose gas with correlated disorder in the roton regime

    NASA Astrophysics Data System (ADS)

    Boudjemâa, Abdelâali

    2016-05-01

    We study the impact of a weak random potential with a Gaussian correlation function on the thermodynamics of a two-dimensional dipolar bosonic gas. Analytical expressions for the quantum depletion, anomalous density, the ground state energy, the equation of state and the sound velocity are derived in the roton regime within the framework of the Bogoliubov theory. Surprisingly, we find that the condensate depletion and the anomalous density are comparable. The structure factor and the superfluid fraction are also obtained analytically and numerically. We show that these quantities acquire dramatically modified profiles when the roton is close to zero yielding the transition to an unusual quantum state.

  13. Field-induced columnar structures in a quasi-two-dimensional system of dipolar particles.

    PubMed

    Yeh, Shin-Shing; Hsueh, Ching; Chen, Peilong; Viñals, Jorge

    2007-11-01

    We study the formation of columnar structures of uniaxial dipoles in an external magnetic field both experimentally and theoretically. By applying an external magnetic field parallel to a thin layer of a magnetorheological fluid, we manipulate a single initial cluster of suspended colloidal particles. We find that the cluster breaks up into columns that have approximately uniform widths and intercolumnar spacings. Both the average column width and inter column spacing are observed to vary linearly with column length. The observed linear relationships between column width and spacing versus the column length are interpreted theoretically by computing the potential energy of an ensemble of closed-packed columns of spherical dipolar particles. PMID:18233659

  14. Persistent Superfluid Flow Arising from the He-McKellar-Wilkens Effect in Molecular Dipolar Condensates

    NASA Astrophysics Data System (ADS)

    Wood, A. A.; McKellar, B. H. J.; Martin, A. M.

    2016-06-01

    We show that the He-McKellar-Wilkens effect can induce a persistent flow in a Bose-Einstein condensate of polar molecules confined in a toroidal trap, with the dipolar interaction mediated via an electric dipole moment. For Bose-Einstein condensates of atoms with a magnetic dipole moment, we show that although it is theoretically possible to induce persistent flow via the Aharonov-Casher effect, the strength of the electric field required is prohibitive. We also outline an experimental geometry tailored specifically for observing the He-McKellar-Wilkens effect in toroidally trapped condensates.

  15. Orientational Relaxation in a Random Dipolar Lattice: Role of Spatial Density Fluctuations in Supercooled Liquids

    NASA Astrophysics Data System (ADS)

    Ravichandran, S.; Bagchi, Biman

    1996-01-01

    We have carried out a computer ``experiment'' of orientational relaxation in a spatially random and orientationally disordered dipolar lattice (RDL), generated by quenching only the translational motion of a dense liquid. In the high polarity limit, the orientational relaxation of the RDL is dramatically different from that of the parent liquid, the former exhibits a very slow, nonexponential long time decay of the orientational correlation functions and markedly non-Debye dielectric relaxation. These results clearly demonstrate the importance of spatial density fluctuations in orientational relaxation.

  16. Stability of Superfluid and Supersolid Phases of Dipolar Bosons in Optical Lattices

    SciTech Connect

    Danshita, Ippei; Sa de Melo, Carlos A. R.

    2009-11-27

    We perform a stability analysis of superfluid (SF) and supersolid (SS) phases of polarized dipolar bosons in two-dimensional optical lattices at high filling factors and zero temperature, and obtain the phase boundaries between SF, checkerboard SS (CSS), striped SS (SSS), and collapse. We show that the phase diagram can be explored through the application of an external field and the tuning of its direction with respect to the optical lattice plane. In particular, we find a transition between the CSS and SSS phases.

  17. 1,3-Dipolar Cycloaddition Reactions of Azomethine Ylides with Carbonyl Dipolarophiles Yielding Oxazolidine Derivatives.

    PubMed

    Meyer, Adam G; Ryan, John H

    2016-01-01

    We provide a comprehensive account of the 1,3-dipolar cycloaddition reactions of azomethine ylides with carbonyl dipolarophiles. Many different azomethine ylides have been studied, including stabilized and non-stabilized ylides. Of the carbonyl dipolarophiles, aldehydes including formaldehyde are the most studied, although there are now examples of cycloadditions with ketones, ketenes and carboxyl systems, in particular isatoic anhydrides and phthalic anhydrides. Intramolecular cycloadditions with esters can also occur under certain circumstances. The oxazolidine cycloadducts undergo a range of reactions triggered by the ring-opening of the oxazolidine ring system. PMID:27455230

  18. Charged, dipolar soft matter systems from a combined microscopic-mesoscopic viewpoint.

    PubMed

    Schröder, Christian; Steinhauser, Othmar

    2016-09-01

    As an example of charged, dipolar soft matter, the ionic liquid 1-ethyl-3-methyl-imidazolium dicyanamide is studied by coarse-grained molecular dynamics simulations. We focus on the link between microscopic and mesoscopic properties for both structure and dynamics. Thereby, the generalized Kirkwood g K-factor plays a central role in establishing this link which is not possible on the basis of molecular hydrodynamics. The decoupling between translational and rotational motion is indicative of the dynamical heterogeneity in ionic liquids. PMID:27376788

  19. Spacing-dependent dipolar interactions in dendronized magnetic iron oxide nanoparticle 2D arrays and powders

    NASA Astrophysics Data System (ADS)

    Fleutot, Solenne; Nealon, Gareth L.; Pauly, Matthias; Pichon, Benoit P.; Leuvrey, Cédric; Drillon, Marc; Gallani, Jean-Louis; Guillon, Daniel; Donnio, Bertrand; Begin-Colin, Sylvie

    2013-01-01

    Self-assembly of nanoparticles (NPs) into tailored structures is a promising strategy for the production and design of materials with new functions. In this work, 2D arrays of iron oxide NPs with interparticle distances tuned by grafting fatty acids and dendritic molecules at the NPs surface have been obtained over large areas with high density using the Langmuir-Blodgett technique. The anchoring agent of molecules and the Janus structure of NPs are shown to be key parameters driving the deposition. Finally the influence of interparticle distance on the collective magnetic properties in powders and in monolayers is clearly demonstrated by DC and AC SQUID measurements. The blocking temperature TB increases as the interparticle distance decreases, which is consistent with the fact that dipolar interactions are responsible for this increase. Dipolar interactions are found to be stronger for particles assembled in thin films compared to powdered samples and may be described by using the Vogel Fulcher model.Self-assembly of nanoparticles (NPs) into tailored structures is a promising strategy for the production and design of materials with new functions. In this work, 2D arrays of iron oxide NPs with interparticle distances tuned by grafting fatty acids and dendritic molecules at the NPs surface have been obtained over large areas with high density using the Langmuir-Blodgett technique. The anchoring agent of molecules and the Janus structure of NPs are shown to be key parameters driving the deposition. Finally the influence of interparticle distance on the collective magnetic properties in powders and in monolayers is clearly demonstrated by DC and AC SQUID measurements. The blocking temperature TB increases as the interparticle distance decreases, which is consistent with the fact that dipolar interactions are responsible for this increase. Dipolar interactions are found to be stronger for particles assembled in thin films compared to powdered samples and may be

  20. Directed Transformation from Quadrupolar to Dipolar Nematic Colloids by an In-Plane Electric Field

    NASA Astrophysics Data System (ADS)

    Tagashira, Kenji; Asakura, Keita; Yoshida, Hiroyuki; Ozaki, Masanori

    2013-02-01

    We demonstrate direction-controlled transformation from quadrupolar to dipolar nematic colloids using an in-plane electric field. When the electric field is applied in the direction perpendicular to the rubbing direction, a splay-bend wall is induced, which traps colloidal particles. Above the applied electric field of 0.14 V/µm, a Saturn-ring defect shrinks into a hedgehog defect due to the symmetric reorientation of the liquid crystal molecules around the particle. The direction of the shrinking is determined by the pretilt angle of the liquid crystal and the field direction near the edge of the electrode.

  1. Dipolar field-induced spin-wave waveguides for spin-torque magnonics

    SciTech Connect

    Demidov, V. E.; Urazhdin, S.; Zholud, A.; Sadovnikov, A. V.; Demokritov, S. O.

    2015-01-12

    We use high-resolution imaging to study the propagation of spin waves in magnonic waveguides created by the dipolar magnetic fields of microscopic patterns. We show that the characteristics of spin-wave modes in such waveguides depend strongly on their geometry. In particular, by tuning the geometrical parameters, field-induced confinement for both the edge and the center waveguide modes can be achieved, enabling control over the spin-wave transmission characteristics. The studied waveguiding structures are particularly promising for the implementation of magnonic devices utilizing spin-torque phenomena.

  2. Topological order-by-disorder in orbitally degenerate dipolar bosons on a zigzag lattice

    NASA Astrophysics Data System (ADS)

    Sun, G.; Vekua, T.

    2014-09-01

    Spinor bosons offer a conceptually simple picture of macroscopic quantum behavior of topological order-by-disorder: The paramagnetic state of two-component dipolar bosons in an orbitally degenerate zigzag lattice is unstable against infinitesimal quantum fluctuations of orbitals, λ, towards developing nonlocal hidden order. Adjacent to the topological state a locally correlated exact ground state with spontaneously a quadrupoled lattice constant is realized for the broad parameter regime. The topological order is extremely robust surviving the λ →∞ limit where the ground state evolves into the Majumdar-Ghosh state of a frustrated spin-1/2 chain.

  3. Communication: influence of nanosecond-pulsed electric fields on water and its subsequent relaxation: dipolar effects and debunking memory.

    PubMed

    Avena, Massimiliano; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca; English, Niall J

    2015-04-14

    Water has many intriguing and anomalous physical properties that have puzzled and titillated the scientific community for centuries, perhaps none more so than the proposition that water may retain some (permanent) "memory" of conditions (e.g., dilution) or electric fields to which it has been subject. Here, we have performed non-equilibrium molecular dynamics simulations of liquid water in external electric-field nanosecond pulses, at 260-310 K, and gauged significant non-thermal field effects in terms of dipolar response. Response of both system- and individual-dipoles has been investigated, and autocorrelation functions of both show more significant effects in stronger fields, with more sluggish relaxation. Crucially, we show that once the field is removed, the dipoles relax, exhibiting no memory or permanent dipolar alignment. We also quantify the time scales for system dynamical-dipolar properties to revert to zero-field equilibrium behaviour. PMID:25877554

  4. Communication: Influence of nanosecond-pulsed electric fields on water and its subsequent relaxation: Dipolar effects and debunking memory

    NASA Astrophysics Data System (ADS)

    Avena, Massimiliano; Marracino, Paolo; Liberti, Micaela; Apollonio, Francesca; English, Niall J.

    2015-04-01

    Water has many intriguing and anomalous physical properties that have puzzled and titillated the scientific community for centuries, perhaps none more so than the proposition that water may retain some (permanent) "memory" of conditions (e.g., dilution) or electric fields to which it has been subject. Here, we have performed non-equilibrium molecular dynamics simulations of liquid water in external electric-field nanosecond pulses, at 260-310 K, and gauged significant non-thermal field effects in terms of dipolar response. Response of both system- and individual-dipoles has been investigated, and autocorrelation functions of both show more significant effects in stronger fields, with more sluggish relaxation. Crucially, we show that once the field is removed, the dipoles relax, exhibiting no memory or permanent dipolar alignment. We also quantify the time scales for system dynamical-dipolar properties to revert to zero-field equilibrium behaviour.

  5. Study on dipolar orientation and relaxation characteristics of guest-host polymers affected by corona poling parameters

    NASA Astrophysics Data System (ADS)

    Yun, Binfeng; Hu, Guohua; Lu, Changgui; Cui, Yiping

    2009-05-01

    The dipolar orientation and relaxation characteristics of guest-host polymers poled by corona poling have been studied in detail. The mechanisms of dipolar orientation affected by poling parameters (voltage, temperature, time and cooling velocity) in polymers have been analyzed by UV-Vis absorption spectra and microscope. The results show that with increasing poling voltage, the orientation order parameter increases to maximum and then drops. Also the same trend of orientation order parameter has been obtained with increasing poling temperature. While the orientation order parameter increases to saturation with increasing poling time. With the biexponential model analyzing, it is shown that the relaxation of dipolar orientation can be slowed by slowing the cooling velocity during the poling process.

  6. Search Coil and Fluxgate Data Merging on MMS: Examples on Dipolarization Event Cases

    NASA Astrophysics Data System (ADS)

    Plaschke, F.; Fischer, D.; Magnes, W.; Valavanoglou, A.; Le Contel, O.; Nakamura, R.; Andriopoulou, M.; Schmid, D.; Baumjohann, W.; Torbert, R. B.; Russell, C.; Strangeway, R. J.; Leinweber, H. K.; Bromund, K. R.; Anderson, B. J.; Le, G.; Chutter, M.; Needell, J.; Dors, I.; Slavin, J. A.; Kepko, L.; Mirioni, L.

    2015-12-01

    The instrument suite of MMS mission includes one search coil and two fluxgate magnetometers on each observatory and can therefore provide the possibility to study events that cross the sensitive frequency range of both instrument types. It is therefore desirable to have a common merged data product that combines the best parts of both instruments. Extensive ground based test measurements have been performed to identify the properties of the instruments. New models for compensating time and frequency properties were created and the difference to existing calibrations is analyzed. Considerations for application as well as signal processing constraints are discussed and the resulting method is applied on data from the mission. Dipolarization events can serve as suitable example, since they contain a variety of disturbances with different characteristic scales: transient filamentary properties, sharp fronts, reconfiguration of the current sheet, wave signatures on kinetic as well as fluid scales, thus requiring highest sensitivity data in a wide frequency range. We show these different signatures relevant to the dipolarization events based on the analysis of these newly produced data.

  7. Dipolar condensates confined in a toroidal trap: Ground state and vortices

    NASA Astrophysics Data System (ADS)

    Abad, M.; Guilleumas, M.; Mayol, R.; Pi, M.; Jezek, D. M.

    2010-04-01

    We study a Bose-Einstein condensate of Cr52 atoms confined in a toroidal trap with a variable strength of s-wave contact interactions. We analyze the effects of the anisotropic nature of the dipolar interaction by considering the magnetization axis to be perpendicular to the trap symmetry axis. In the absence of a central repulsive barrier, when the trap is purely harmonic, the effect of reducing the scattering length is a tuning of the geometry of the system from a pancake-shaped condensate when it is large to a cigar-shaped condensate for small scattering lengths. For a condensate in a toroidal trap, the interaction in combination with the central repulsive Gaussian barrier produces an azimuthal dependence of the particle density for a fixed radial distance. We find that along the magnetization direction the density decreases as the scattering length is reduced but presents two symmetric density peaks in the perpendicular axis. For even lower values of the scattering length we observe that the system undergoes a dipolar-induced symmetry breaking phenomenon. The whole density becomes concentrated in one of the peaks, resembling an origin-displaced cigar-shaped condensate. In this context we also analyze stationary vortex states and their associated velocity fields, finding that these also show a strong azimuthal dependence for small scattering lengths. The expectation value of the angular momentum along the z direction provides a qualitative measure of the difference between the velocity in the different density peaks.

  8. Transition states and thermal collapse of dipolar Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Junginger, Andrej; Kreibich, Manuel; Main, Jörg; Wunner, Günter

    2013-10-01

    We investigate thermally excited, dipolar Bose-Einstein condensates (BECs). Quasiparticle excitations of the atomic cloud cause density fluctuations which can induce the collapse of the condensate if the interparticle interaction is attractive. Within a variational approach, we identify the collectively excited stationary states of the gas which form transition states on the way to the BEC's collapse. We analyze transition states with different m-fold rotational symmetry and identify the one which mediates the collapse. The latter's symmetry depends on the trap aspect ratio of the external trapping potential, which determines the shape of the BEC. Moreover, we present the collapse dynamics of the BEC and calculate the corresponding decay rate using transition-state theory. We observe that the thermally induced collapse mechanism is important near the critical scattering length, where the lifetime of the condensate can be significantly reduced. Our results are valid for an arbitrary strength of the dipole-dipole interaction. Specific applications are discussed for the elements 52Cr, 164Dy, and 168Er with which dipolar BECs have been experimentally realized.

  9. Supramolecular Magnetic Brushes: The Impact of Dipolar Interactions on the Equilibrium Structure

    PubMed Central

    2015-01-01

    The equilibrium structure of supramolecular magnetic filament brushes is analyzed at two different scales. First, we study the density and height distributions for brushes with various grafting densities and chain lengths. We use Langevin dynamics simulations with a bead–spring model that takes into account the cross-links between the surface of the ferromagnetic particles, whose magnetization is characterized by a point dipole. Magnetic filament brushes are shown to be more compact near the substrate than nonmagnetic ones, with a bimodal height distribution for large grafting densities. This latter feature makes them also different from brushes with electric dipoles. Next, in order to explain the observed behavior at the filament scale, we introduce a graph theory analysis to elucidate for the first time the structure of the brush at the scale of individual beads. It turns out that, in contrast to nonmagnetic brushes, in which the internal structure is determined by random density fluctuations, magnetic forces introduce a certain order in the system. Because of their highly directional nature, magnetic dipolar interactions prevent some of the random connections to be formed. On the other hand, they favor a higher connectivity of the chains’ free and grafted ends. We show that this complex dipolar brush microstructure has a strong impact on the magnetic response of the brush, as any weak applied field has to compete with the dipole–dipole interactions within the crowded environment. PMID:26538768

  10. Spectroscopy of dipolar fermions in layered two-dimensional and three-dimensional lattices

    SciTech Connect

    Hazzard, Kaden R. A.; Rey, Ana Maria; Gorshkov, Alexey V.

    2011-09-15

    Motivated by ongoing measurements at JILA, we calculate the recoil-free spectra of dipolar interacting fermions, for example ultracold heteronuclear molecules, in a one-dimensional lattice of two-dimensional layers or ''pancakes'', spectroscopically probing transitions between different internal (e.g., rotational) states. We additionally incorporate p-wave interactions and losses, which are important for reactive molecules such as KRb. Moreover, we consider other sources of spectral broadening: interaction-induced quasiparticle lifetimes and the different polarizabilities of the rotational states used for the spectroscopy. Although our main focus is molecules, some of the calculations are also useful for optical lattice atomic clocks. For example, understanding the p-wave shifts between identical fermions and small dipolar interactions coming from the excited clock state is necessary to reach future precision goals. Finally, we consider the spectra in a deep three-dimensional lattice and show how they give a great deal of information about static correlation functions, including all the moments of the density correlations between nearby sites. The range of correlations measurable depends on spectroscopic resolution and the dipole moment.

  11. Solar Micro-Type III Burst Storms and Long Dipolar Magnetic Field in the Outer Corona

    NASA Astrophysics Data System (ADS)

    Morioka, A.; Miyoshi, Y.; Iwai, K.; Kasaba, Y.; Masuda, S.; Misawa, H.; Obara, T.

    2015-08-01

    Solar micro-type III radio bursts are elements of the so-called type III storms and are characterized by short-lived, continuous, and weak emissions. Their frequency of occurrence with respect to radiation power is quite different from that of ordinary type III bursts, suggesting that the generation process is not flare-related, but due to some recurrent acceleration processes around the active region. We examine the relationship of micro-type III radio bursts with coronal streamers. We also explore the propagation channel of bursts in the outer corona, the acceleration process, and the escape route of electron beams. It is observationally confirmed that micro-type III bursts occur near the edge of coronal streamers. The magnetic field line of the escaping electron beams is tracked on the basis of the frequency drift rate of micro-type III bursts and the electron density distribution model. The results demonstrate that electron beams are trapped along closed dipolar field lines in the outer coronal region, which arise from the interface region between the active region and the coronal hole. A 22 year statistical study reveals that the apex altitude of the magnetic loop ranges from 15 to 50 RS. The distribution of the apex altitude has a sharp upper limit around 50 RS suggesting that an unknown but universal condition regulates the upper boundary of the streamer dipolar field.

  12. Three-dimensional Transient Magnetic Reconnection and Dipolarization Fronts in the Terrestrial Magnetotail

    NASA Astrophysics Data System (ADS)

    Zhou, M.; Deng, X.; Ashour-Abdalla, M.; Pang, Y.; Lapenta, G.; Fu, H.; Walker, R. J.; Huang, S.; Tang, R.

    2015-12-01

    We report a Cluster observation of transient magnetic reconnection in the Earth's magnetotail at the location of [Xgsm ~ -17.2 RE, Ygsm ~ -4.5 RE and Zgsm ~ 0]. The reconnection X-line retreated tailward with a speed of 34 km/s. An ion diffusion region with a weak guide field (~10% of the lobe field) was encountered during the flow reversal. Transient energetic electron beams, which directed away from the X-line, were detected repeatedly around the current sheet boundary layer with periods of about 60s during the tailward flow burst. On the earthward side of X-line, multiple earthward-propagating dipolarization fronts were observed quasi-periodically with time period of 60s-90s. Surprisingly the cross-tail sizes of some observed dipolarization fronts are only 1-2 ion inertial lengths. The X-line expanded across the tail in the electron flow direction with a speed about 0.03VA, here VA is the Alfven speed. Two spacecraft, which were separated in the cross-tail direction by 1 RE, observed distinct structures and different tones of reconnection, which implies that reconnection proceeds drastically different in different segments of X-line.

  13. Dipolar interactions and hydrogen bonding in supramolecular aggregates: understanding cooperative phenomena for 1st hyperpolarizability.

    PubMed

    Datta, Ayan; Pati, Swapan K

    2006-12-01

    Weak intermolecular forces like dipolar interactions and hydrogen-bonding lead to a variety of different packing arrangements of molecules in crystals and self-assemblies. Such differences in the arrangements change the extent of excitonic splitting and excitation spectra in the multichromophore aggregates. In this tutorial review, the role of such interactions in fine tuning the linear and 1st non-linear optical (NLO) responses in molecular aggregates are discussed. The non-additivity of these optical properties arise specifically due to such cooperative interactions. Calculations performed on dimers, trimers and higher aggregates for model systems provide insights into the interaction mechanisms and strategies to enhance the 1st hyperpolarizabilities of pi-conjugated molecular assemblies. Flexible dipole orientations in the alkane bridged chromophores show odd-even variations in their second-harmonic responses that are explained through their dipolar interactions in different conformations. Parameters for the optical applications of molecules arranged in constrained geometry, like in Calix[n]arene, have been elucidated. We also highlight the recent developments in this field of research together with their future prospects. PMID:17225890

  14. Magnetic reversal of an artificial square ice: dipolar correlation and charge ordering

    NASA Astrophysics Data System (ADS)

    Morgan, Jason; Stein, Aaron; Langridge, Sean; Marrows, Christopher

    2012-02-01

    Artificial spin ices are lithographically patterned arrays of single domain nanomagnets [1-4]. The elongated elements form a 2D system of interlinked vertices at which Ising-like dipole moments meet with incompatible interactions. They are directly analogous to 3D bulk spin ice materials [5]. We report on the magnetic reversal of an athermal artificial square ice pattern subject to a sequence of magnetic fields applied slightly off the diagonal symmetry axis, investigated via magnetic force microscopy of the remanent states that result [1]. From an initial diagonally polarised state, sublattice independent reversal is observed via bulk-nucleated incrementally-pinned flipped moment chains along parallel channels of magnetic elements, as evident from analysis of vertex populations and dipolar correlation functions. Weak dipolar interactions between adjacent chains favour antialignment and give rise to weak charge ordering of ``monopole'' vertices during reversal. [4pt] [1] J. P. Morgan, A. Stein, S. Langridge & C.H. Marrows, New Journal of Physics (2011), 13, 105002.[0pt] [2] R. F. Wang et al., Nature (2006), 439, 303-306.[0pt] [3] E. Mengotti et al., Nature Physics (2011), 7, 68-74.[0pt] [4] J. P. Morgan et al., Nature Physics (2011), 7, 75-79.[0pt] [5] M. J. Harris et al., PRL (1997), 79, 2554-255

  15. Reversible Switching of Liquid Crystalline Order Permits Synthesis of Homogeneous Populations of Dipolar Patchy Microparticles

    PubMed Central

    Wang, Xiaoguang; Miller, Daniel S.; de Pablo, Juan J.

    2014-01-01

    The spontaneous positioning of colloids on the surfaces of micrometer-sized liquid crystalline droplets and their subsequent polymerization offers the basis of a general and facile method for the synthesis of patchy microparticles. The existence of multiple local energetic minima, however, can generate kinetic traps for colloids on the surfaces of the liquid crystal (LC) droplets and result in heterogeneous populations of patchy microparticles. To address this issue, here we demonstrate that adsorbate-driven switching of the internal configurations of LC droplets can be used to sweep colloids to a single location on the LC droplet surfaces, thus resulting in the synthesis of homogeneous populations of patchy microparticles. The surface-driven switching of the LC can be triggered by addition of surfactant or salts, and permits the synthesis of dipolar microparticles as well as “Janus-like” microparticles. By using magnetic colloids, we illustrate the utility of the approach by synthesizing magnetically-responsive patchy microdroplets of LC with either dipolar or quadrupolar symmetry that exhibit distinct optical responses upon application of an external magnetic field. PMID:25484850

  16. Pulsed ESR dipolar spectroscopy for distance measurements in immobilized spin labeled proteins in liquid solution

    PubMed Central

    Yang, Zhongyu; Liu, Yangping; Borbat, Peter; Zweier, Jay L.; Freed, Jack H.; Hubbell, Wayne L.

    2012-01-01

    Pulsed electron spin resonance (ESR) dipolar spectroscopy (PDS) in combination with site-directed spin labeling is unique in providing nanometer- range distances and distributions in biological systems. To date, most of the pulsed ESR techniques require frozen solutions at cryogenic temperatures to reduce the rapid electron spin relaxation rate and to prevent averaging of electron-electron dipolar interaction due to the rapid molecular tumbling. To enable measurements in liquid solution, we are exploring a triarylmethyl (TAM)-based spin label with a relatively long relaxation time where the protein is immobilized by attachment to a solid support. In this preliminary study, TAM radicals were attached via disulfide linkages to substituted cysteine residues at positions 65 and 80 or 65 and 76 in T4 lysozyme immobilized on Sepharose. Interspin distances determined using double quantum coherence (DQC) in solution are close to those expected from models, and the narrow distance distribution in each case indicates that the TAM-based spin label is relatively localized. PMID:22676043

  17. Asymmetric 1,3-Dipolar Cycloaddition Reactions Catalyzed by Heterocycle-Based Metal Complexes

    NASA Astrophysics Data System (ADS)

    Suga, Hiroyuki

    Highly enantioselective 1,3-dipolar cycloaddition reactions of several 1,3-dipoles, such as nitrones, nitrile oxides, nitrile imines, diazoalkanes, azomethine imines and carbonyl ylides, catalyzed by heterocyclic supramolecular type of metal complexes consisting of chiral heterocyclic compounds and metal salts were described in terms of their ability of asymmetric induction and enantioface differentiation. The scope and limitations of each cycloaddition reactions were also briefly described. Of the chiral hererocycle-based ligands, chiral bisoxazoline, 2,6-bis(oxazolinyl)pyridine, and related oxazoline ligands are shown to be quite effective in obtaining high levels of asymmtric induction. The combination of the bisoxazoline ligand derived from (1S,2R)-cis-1-amino-2-indanol and metal salts was especially efficient for asymmetric cycloaddition reactions of a number of 1,3-dipoles, such as nitrones, nitrile oxide, nitrile imines, diazoacetates and azomethine imines. The metals utilized for the heterocycle-based complexes show a crucial role for degree of asymmetric induction depending upon the 1,3-dipole used. High levels of enantioselectivity were achieved in 1,3-dipolar cycloaddition reactions of unstable carbonyl ylides with benzyloxyacetaldehyde derivatives, α-keto esters, 3-(2-alkenoyl)-2-oxazolidinones, and even vinyl ethers, which were catalyzed by Pybox-lanthanoid metal complexes.

  18. Multispacecraft analysis of dipolarization fronts and associated whistler wave emissions using MMS data

    NASA Astrophysics Data System (ADS)

    Breuillard, H.; Le Contel, O.; Retino, A.; Chasapis, A.; Chust, T.; Mirioni, L.; Graham, D. B.; Wilder, F. D.; Cohen, I.; Vaivads, A.; Khotyaintsev, Yu. V.; Lindqvist, P.-A.; Marklund, G. T.; Burch, J. L.; Torbert, R. B.; Ergun, R. E.; Goodrich, K. A.; Macri, J.; Needell, J.; Chutter, M.; Rau, D.; Dors, I.; Russell, C. T.; Magnes, W.; Strangeway, R. J.; Bromund, K. R.; Plaschke, F.; Fischer, D.; Leinweber, H. K.; Anderson, B. J.; Le, G.; Slavin, J. A.; Kepko, E. L.; Baumjohann, W.; Mauk, B.; Fuselier, S. A.; Nakamura, R.

    2016-07-01

    Dipolarization fronts (DFs), embedded in bursty bulk flows, play a crucial role in Earth's plasma sheet dynamics because the energy input from the solar wind is partly dissipated in their vicinity. This dissipation is in the form of strong low-frequency waves that can heat and accelerate energetic electrons up to the high-latitude plasma sheet. However, the dynamics of DF propagation and associated low-frequency waves in the magnetotail are still under debate due to instrumental limitations and spacecraft separation distances. In May 2015 the Magnetospheric Multiscale (MMS) mission was in a string-of-pearls configuration with an average intersatellite distance of 160 km, which allows us to study in detail the microphysics of DFs. Thus, in this letter we employ MMS data to investigate the properties of dipolarization fronts propagating earthward and associated whistler mode wave emissions. We show that the spatial dynamics of DFs are below the ion gyroradius scale in this region (˜500 km), which can modify the dynamics of ions in the vicinity of the DF (e.g., making their motion nonadiabatic). We also show that whistler wave dynamics have a temporal scale of the order of the ion gyroperiod (a few seconds), indicating that the perpendicular temperature anisotropy can vary on such time scales.

  19. Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.

    PubMed

    Licsandru, Erol; Kocsis, Istvan; Shen, Yue-Xiao; Murail, Samuel; Legrand, Yves-Marie; van der Lee, Arie; Tsai, Daniel; Baaden, Marc; Kumar, Manish; Barboiu, Mihail

    2016-04-27

    Aquaporins (AQPs) are biological water channels known for fast water transport (∼10(8)-10(9) molecules/s/channel) with ion exclusion. Few synthetic channels have been designed to mimic this high water permeability, and none reject ions at a significant level. Selective water translocation has previously been shown to depend on water-wires spanning the AQP pore that reverse their orientation, combined with correlated channel motions. No quantitative correlation between the dipolar orientation of the water-wires and their effects on water and proton translocation has been reported. Here, we use complementary X-ray structural data, bilayer transport experiments, and molecular dynamics (MD) simulations to gain key insights and quantify transport. We report artificial imidazole-quartet water channels with 2.6 Å pores, similar to AQP channels, that encapsulate oriented dipolar water-wires in a confined chiral conduit. These channels are able to transport ∼10(6) water molecules/s, which is within 2 orders of magnitude of AQPs' rates, and reject all ions except protons. The proton conductance is high (∼5 H(+)/s/channel) and approximately half that of the M2 proton channel at neutral pH. Chirality is a key feature influencing channel efficiency. PMID:27063409

  20. Strong Dipolar Effects on an Octupolar Luminiscent Chromophore: Implications on their Linear and Nonlinear Optical Properties.

    PubMed

    Jiménez-Sánchez, Arturo; Isunza-Manrique, Itzel; Ramos-Ortiz, Gabriel; Rodríguez-Romero, Jesús; Farfán, Norberto; Santillan, Rosa

    2016-06-30

    Design parameters derived from structure-property relationships play a very important role in the development of efficient molecular-based functional materials with optical properties. Here, we report on the linear and nonlinear optical properties of a fluorene-derived dipolar system (DS) and its octupolar analogue (OS), in which donor and acceptor groups are connected by a phenylacetylene linkage, as a strategy to increase the number of delocalized electrons in the π-conjugated system. The optical nonlinear response was analyzed in detail by experimental and theoretical methods, showing that, in the octupolar system OS, the dipolar effects induced a strong two-photon absorption process whose magnitude is as large as 2210 GM at infrared wavelengths. Solvatochromism studies were implemented to obtain further insight on the charge transfer process. We found that the triple bond plays a fundamental role in the linear and nonlinear optical responses. The strong solvatochromism behavior in DS and OS was analyzed by using four empirical solvent scales, namely Lippert-Mataga, Kamlet-Taft, Catalán, and the recently proposed scale of Laurence et al., finding consistent results of strong solvent polarizability and viscosity dependence. Finally, the role of the acceptor groups was further studied by synthesizing the analogous compound 2DS, having no acceptor group. PMID:27281172

  1. Creating Fermionic Ground State Molecules of 23Na40K with Strong Dipolar Interactions

    NASA Astrophysics Data System (ADS)

    Park, Jee; Wu, Cheng-Hsun; Schloss, Jennifer; Will, Sebastian; Zwierlein, Martin

    2013-05-01

    In our experiment, we work towards creating fermionic ground state molecules of 23Na40K with strong dipolar interactions. These molecules will be chemically stable in the rovibrational ground state, and will carry a large induced dipole moment of 2.72 Debye. Building up on our previous work, we have done photoassociation spectroscopy on the 23Na-40K mixture in order to understand the molecular excited state potentials and identify possible intermediate states for efficient STIRAP transfer of Feshbach molecules down to the absolute rovibrational ground state. In addition, our recent effort in doing two-photon spectroscopy to locate the absolute rovibrational ground state will be presented. Our work paves the way towards creating stable dipolar quantum gases, which will open up new avenues to quantum many-body phases with intriguing properties such as supersolidity and topological phases. This work was supported by the NSF, AFOSR-MURI and -PECASE, ARO-MURI, ONR YIP, DARPA YFA, a grant from the Army Research Office with funding from the DARPA OLE program and the David and Lucille Packard Foundation.

  2. Towards Chemically Stable Fermionic Ground State Molecules with Strong Dipolar Interactions

    NASA Astrophysics Data System (ADS)

    Will, Sebastian; Park, Jee; Wu, Cheng-Hsun; Schloss, Jennifer; Zwierlein, Martin

    2013-05-01

    Quantum gases with dipolar interactions will open new avenues for the creation of novel quantum many-body systems with intriguing properties, ranging from crystalline over magnetic to topological phases. A promising route for the experimental realization of dipolar quantum gases is the formation of fermionic ground-state molecules with a large electric dipole moment, giving rise to long-range anisotropic interactions. With our experiment we work towards the realization of fermionic ground state molecules of 23Na40K. The NaK ground state molecule is chemically stable and possesses a large induced electric dipole moment of 2.72 Debye. In pioneering studies, we have created nearly degenerate samples of weakly bound 23Na40K Feshbach molecules. With a long lifetime and a significant admixture of the electronic spin singlet state, the Feshbach molecules are an ideal starting point to reach the singlet rovibrational ground state with a two-photon STIRAP transfer. Aiming for an efficient transfer path, we have performed spectroscopic studies on excited and ground state molecular potentials of 23Na40K and will report on our current progress. This work was supported by the NSF, AFOSR-MURI and -PECASE, ARO-MURI, ONR YIP, DARPA YFA, a grant from the Army Research Office with funding from the DARPA OLE program and the David and Lucille Packard Foundation.

  3. Creation of a strongly dipolar gas of ultracold ground-state 23 Na87 Rb molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Wang, Dajun; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    We report on successful creation of an ultracold sample of ground-state 23 Na87 Rb molecules with a large effective electric dipole moment. Through a carefully designed two-photon Raman process, we have successfully transferred the magneto-associated Feshbach molecules to the singlet ground state with high efficiency, obtaining up to 8000 23 Na87 Rb molecules with peak number density over 1011 cm-3 in their absolute ground-state level. With an external electric field, we have induced an effective dipole moment over 1 Debye, making 23 Na87 Rb the most dipolar ultracold particle ever achieved. Contrary to the expectation, we observed a rather fast population loss even for 23 Na87 Rb in the absolute ground state with the bi-molecular exchange reaction energetically forbidden. The origin for the short lifetime and possible ways of mitigating it are currently under investigation. Our achievements pave the way toward investigation of ultracold bosonic molecules with strong dipolar interactions. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

  4. Dipolar Effects in an Ultracold Gas of LiCs Molecules

    NASA Astrophysics Data System (ADS)

    Weidemueller, Matthias

    2011-05-01

    Recently, there has been important progress in the investigation of ultracold polar molecules in the absolute ground state, thus opening intriguing perspectives for strongly correlated quantum systems under the influence of long-range dipolar forces. We have studied the formation of LiCs molecules via photoassociation (PA) in a double-species magneto-optical trap. The LiCs dimer is a particularly promising candidate for observing dipolar effects, as it possesses the largest dipole moment of all alkali dimers (5.5 Debye in the ground state). Ultracold LiCs molecules in the absolute rovibrational ground state are formed by a single photo-association step. The dipole moment of ground state levels is determined by Stark spectroscopy and was found to be in excellent agreement with the theoretical predictions. Vibrational redistribution due to spontaneous emission and blackbody radiation is observed and compared a rate-equation model.In collaboration with Johannes Deiglmayr, Marc Repp, University of Heidelberg; Roland Wester, University of Innsbruck; and Olivier Dulieu, Laboratoire Aime Cotton. Work was supported by DFG and ESF in the framework of the Eurocores EuroQUAM as well as the Heidelberg Center for Quantum Dynamics.

  5. Supra Arcade Downflows with XRT Informed by Dipolarization Fronts with THEMIS

    NASA Technical Reports Server (NTRS)

    Kobelski, Adam; Savage, Sabrina Leah; Malaspina, David

    2016-01-01

    Magnetic reconnection can rapidly reconfigure the magnetic field of the corona, accelerating plasma through the site of reconnection. Ambiguities due to the nature of remote sensing have complicated the interpretation of observations of the inflowing and outflowing plasma in reconnecting regions. In particular, the interpretation of sunward moving density depletions above flare arcades (known as Supra Arcade Downflows - SADs) is still debated. Hinode/XRT has provided a wealth of observations for SADs and helped inform our current understanding of these structures. SADs have been interpreted as wakes behind newly reconnected and outflowing loops (Supra Arcade Downflowing Loops - SADLs). Models have shown the plausibility of this interpretation, though this interpretation has not yet been fully accepted. We present here observations of newly reconnected outflowing loops observed via in situ instruments in the magnetosphere. These observations, provided by five THEMIS spacecraft, show that around retracting loops (dipolarization fronts in this context) similar dynamic temperature and density structures are found as seen in SADs. We compare data from multiple SADs and dipolarization fronts to show that the observational signatures implied in the corona can be directly observed in similar plasma regimes in the magnetosphere, strongly favoring the interpretation of SADs as wakes behind retracting loops.

  6. Effect of anisotropic exchange interactions and short-range phenomena on superfluidity in a homogeneous dipolar Fermi gas

    NASA Astrophysics Data System (ADS)

    Corro, I.; Martin, A. M.

    2016-08-01

    We develop a simple numerical method that allows us to calculate the BCS superfluid transition temperature Tc precisely for any interaction potential. We apply it to a polarized, ultracold Fermi gas with long-range, anisotropic, dipolar interactions and include the effects of anisotropic exchange interactions. We pay particular attention to the short-range behavior of dipolar gases and reexamine current renormalization methods. In particular, we find that dimerization of both atoms and molecules significantly hampers the formation of a superfluid. The end result is that at high density or interaction strengths, we find Tc is orders of magnitude lower than previous calculations.

  7. Paramagnetic Effects on Nuclear Relaxation in Enzyme-Bound Co(II)-Adenine Nucleotide Complexes: Relative Contributions of Dipolar and Scalar Interactions

    NASA Astrophysics Data System (ADS)

    Ray, Bruce D.; Jarori, Gotam K.; Nageswara Rao, B. D.

    1999-01-01

    31P NMR measurements on CoADP bound to creatine kinase designed to estimate the relative contribution of scalar and dipolar interactions to31P spin relaxation rates show that these rates are primarily due to distance-dependent dipolar interactions and that the contribution of the scalar interaction is negligible.

  8. Anomalous negative electrocaloric effect in a relaxor/normal ferroelectric polymer blend with controlled nano- and meso-dipolar couplings

    NASA Astrophysics Data System (ADS)

    Qian, Xiaoshi; Yang, Tiannan; Zhang, Tian; Chen, Long-Qing; Zhang, Q. M.

    2016-04-01

    In general, a dielectric material will eject (or absorb) heat when an electric field is applied and absorb (or eject) heat when the field is removed, under isothermal condition, which is known as the normal (or negative) electrocaloric (EC) effect. For some applications, it is highly desired that an EC material will absorb heat (cooling the surrounding) without subsequent heating under an electric pulse. Here, we show that such an EC material can be realized in a properly designed hybrid normal ferroelectric/relaxor ferroelectric polymer blend in which the normal ferroelectric component induces dipole ordering in the relaxor polymer in the poled state, which can be switched to a de-poled state by an external field. More importantly, the de-poled state can be maintained by the relaxor component when the de-poling field is removed. Consequently, the hybrid blend exhibits a large cooling (an isothermal entropy change ΔS = 11.5 J kg-1 K-1) without the subsequent heating upon the application of an electric pulse.

  9. Ion trajectory simulations of axial ac dipolar excitation in the Orbitrap

    NASA Astrophysics Data System (ADS)

    Wu, Guangxiang; Noll, Robert J.; Plass, Wolfgang R.; Hu, Qizhi; Perry, Richard H.; Cooks, R. Graham

    2006-07-01

    The newly developed version of the multi-particle ion trajectory simulation program, ITSIM 6.0, was applied to simulate ac dipolar excitation of ion axial motion in the Orbitrap. The Orbitrap inner and outer electrodes were generated in AutoCAD, a 3D drawing program. The electrode geometry was imported into the 3D field solver COMSOL; the field array was then imported into ITSIM 6.0. Ion trajectories were calculated by solving Newton's equations using Runge-Kutta integration methods. Compared to the analytical solution, calculated radial components of the field at the device's "equator" (z = 0) were within 0.5% and calculated axial components midway between the inner and outer electrodes were within 0.2%. The experiments simulated here involved the control of axial motion of ions in the Orbitrap by the application of dipolar ac signals to the split outer electrodes, as described in a recently published paper from this laboratory [Hu et al., J. Phys. Chem. A 110 (2006) 2682]. In these experiments, ac signal was applied at the axial resonant frequency of a selected ion. Axial excitation and eventual ion ejection resulted when the ac was in phase with, i.e., had 0° phase relative to ion axial motion. De-excitation of ion axial motion until the ions were at z = 0 and at rest with respect to the z-axis resulted if the applied ac was out of phase with ion motion, with re-excitation of ion axial motion occurring if the dipolar ac was continued beyond this point. Both de-excitation and re-excitation could be achieved mass-selectively and depended on the amplitude and duration (number of cycles) of the applied ac. The effects of ac amplitude, frequency, phase relative to ion motion, and bandwidth of applied waveform were simulated. All simulation results were compared directly with the experimental data and good agreement was observed. Such ion motion control experiments and their simulation provide the possibility to improve Orbitrap performance and to develop tandem mass

  10. Intramolecular 1,3-dipolar cycloaddition reactions in the synthesis of complex annelated quinolines, α-carbolines and coumarins.

    PubMed

    Majumder, Swarup; Borah, Pallabi; Bhuyan, Pulak J

    2012-05-01

    In this study, we report the synthesis of several novel dihydroisoxazole-, tetrahydroisoxazole- and dihydropyrazole-fused pyrido[2,3-b]quinolines, α-carbolines, and pyrido[2,3-c]coumarins, respectively, from simple precursors and by exploring intramolecular 1,3-dipolar cycloaddition reactions involving nitrile oxides, nitrones, and nitrile imines as 1,3-dipoles. PMID:22374452

  11. Facile Synthesis of Stapled, Structurally Reinforced Peptide Helices via A Photoinduced Intramolecular 1,3-Dipolar Cycloaddition Reaction†

    PubMed Central

    Madden, Michael M.; Vera, Claudia I. Rivera; Song, Wenjiao; Lin, Qing

    2009-01-01

    We report the first use of a photoinduced 1,3-dipolar cycloaddition reaction in “stapling” peptide side chains to reinforce a model peptide helical structure with moderate to excellent yields. The resulting pyrazoline “staplers” exhibit unique fluorescence useful in a cell permeability study. PMID:19753366

  12. Application of an intramolecular dipolar cycloaddition to an asymmetric synthesis of the fully oxygenated tricyclic core of the stemofoline alkaloids

    PubMed Central

    Carra, Ryan J.; Epperson, Matthew T.; Gin, David Y.

    2008-01-01

    An intramolecular non-stabilized azomethine ylide dipolar cycloaddition was applied toward the first non-racemic synthesis of the fully-oxygenated bridged pyrrolizidine core (45) of (+)-stemofoline (1) in eleven steps from a commercially available starting material. PMID:18443655

  13. Band structures of a dipolar Bose-Einstein condensate in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Lin, Yuanyao; Lee, Ray-Kuang; Kao, Yee-Mou; Jiang, Tsin-Fu

    2008-08-01

    We derive the effective Gross-Pitaevskii equation for a cigar-shaped dipolar Bose-Einstein condensate in one-dimensional lattices and investigate the band structures numerically. Due to the anisotropic and the long-ranged dipole-dipole interaction in addition to the known contact interaction, we elucidate the possibility of modifying the band structures by changing the alignment of the dipoles with the axial direction. With the considerations of the transverse parts and the practical physical parameters of a cigar-shaped trap, we show the possibility to stabilize an attractive condensate simply by adjusting the orientation angle of dipoles. Some interesting Bloch waves at several particle current densities are identified for possible experimental observations.

  14. Observation of a Rosensweig Instability and Stable Quantum Droplets in a Dipolar Bose Gas

    NASA Astrophysics Data System (ADS)

    Pfau, Tilman; Ferrier Barbut, Igor; Kadau, Holger; Schmitt, Matthias; Wenzel, Matthias

    2016-05-01

    Ferrofluids show unusual hydrodynamic effects due to the magnetic nature of their constituents. For increasing magnetization a classical ferrofluid undergoes a Rosensweig instability and creates self-organized ordered surface structures or droplet crystals. We observe a related instability in a Bose-Einstein condensate with strong dipolar interactions resulting in surprisingly stable droplet crystals. We find that quantum fluctuations which are the origin of genuine quantum many-body effects cannot be neglected and provide a stabilizing mechanism. We study experimentally individual stable quantum droplets containing about 800 atoms which are expected to collapse at the mean-field level due to the essentially attractive interaction. By systematic measurements on individual droplets we demonstrate quantitatively that quantum fluctuations stabilize them against the mean-field collapse. We observe in addition interference of several droplets indicating that this stable many-body state is phase coherent.

  15. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    PubMed Central

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-01-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters. PMID:27346611

  16. Revealing the signature of dipolar interactions in dynamic spectra of polydisperse magnetic nanoparticles.

    PubMed

    Ivanov, Alexey O; Zverev, Vladimir S; Kantorovich, Sofia S

    2016-04-21

    We investigate, via a modified mean field approach, the dynamic magnetic response of a polydisperse dipolar suspension to a weak, linearly polarised, AC field. We introduce an additional term into the Fokker-Planck equation, which takes into account dipole-dipole interaction in the form of the first order perturbation, and allows for particle polydispersity. The analytical expressions, obtained for the real and imaginary dynamic susceptibilities, predict three measurable effects: the increase of the real part low-frequency plateaux; the enhanced growth of the imaginary part in the low-frequency range; and the shift of the imaginary part maximum. Our theoretical predictions find an experimental confirmation and explain the changes in the spectrum. PMID:26890415

  17. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    NASA Astrophysics Data System (ADS)

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-06-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters.

  18. Controlling electric, magnetic, and chiral dipolar emission with PT-symmetric potentials

    NASA Astrophysics Data System (ADS)

    Alaeian, Hadiseh; Dionne, Jennifer A.

    2015-06-01

    We investigate the effect of parity-time (PT) symmetric optical potentials on the radiation of achiral and chiral dipole sources. Two properties unique to PT-symmetric potentials are observed. First, the dipole can be tuned to behave as a strong optical emitter or absorber based on the non-Hermiticity parameter and the dipole location. Second, exceptional points give rise to new system resonances that lead to orders-of-magnitude enhancements in the dipolar emitted or absorbed power. Utilizing these properties, we show that enantiomers of chiral molecules near PT-symmetric metamaterials exhibit a 4.5-fold difference in their emitted power and decay rate. The results of this work could enable new atom-cavity interactions for quantum optics, as well as all-optical enantioselective separation.

  19. Magnetic dipolar interaction in a Bose-Einstein condensate atomic interferometer.

    PubMed

    Fattori, M; Roati, G; Deissler, B; D'Errico, C; Zaccanti, M; Jona-Lasinio, M; Santos, L; Inguscio, M; Modugno, G

    2008-11-01

    We study the role played by the magnetic dipole interaction in the decoherence of a lattice-based interferometer that employs an alkali Bose-Einstein condensate with a tunable scattering length. The different behavior we observe for two different orientations of the dipoles gives us evidence of the anisotropic character of the interaction. The experiment is correctly reproduced by a model we develop only if the long-range interaction between different lattice sites is taken into account. Our model indicates that dipolar interaction can be compensated by a proper choice of the scattering length and that the magnetic dipole interaction should not represent an obstacle for atom interferometry with Bose-Einstein condensates with a tunable interaction. PMID:19113248

  20. Dipolar degrees of freedom and isospin equilibration processes in heavy ion collisions

    NASA Astrophysics Data System (ADS)

    Papa, M.; Berceanu, I.; Acosta, L.; Amorini, F.; Agodi, C.; Anzalone, A.; Auditore, L.; Cardella, G.; Cavallaro, S.; Chatterjee, M. B.; De Filippo, E.; Francalanza, L.; Geraci, E.; Grassi, L.; Gnoffo, B.; Han, J.; La Guidara, E.; Lanzalone, G.; Lombardo, I.; Maiolino, C.; Minniti, T.; Pagano, A.; Pagano, E. V.; Pirrone, S.; Politi, G.; Porto, F.; Quattrocchi, L.; Rizzo, F.; Rosato, E.; Russotto, P.; Trifirò, A.; Trimarchi, M.; Verde, G.; Vigilante, M.

    2015-04-01

    The dipolar degrees of freedom on the 48Ca+27Al system at 40 MeV/nucleon have been investigated for the first time with the 4 π multidetector CHIMERA. The global variable was measured for well-reconstructed events in binary dissipative processes. Both the close link with isospin equilibration processes and its insensitivity to later statistical hot source decays have been discussed. This latter feature provides the opportunity to investigate globally and exclusively the dynamics of the equilibration processes. At this first level of investigation the experimental evidence, supported by the study of the reference system 27Al+40Ca and the auxiliary one 27Ca+48Ca , substantially agree with the CoMD-III calculations by describing the isovectorial forces through stiffness parameter values γ ≈0.8 -1.2 .