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Sample records for 1d helical chains

  1. 1D ferrimagnetism in homometallic chains

    NASA Astrophysics Data System (ADS)

    Coronado, E.; Gómez-García, C. J.; Borrás-Almenar, J. J.

    1990-05-01

    The magnetic properties of the cobalt zigzag chain Co(bpy)(NCS)2 (bpy=2,2'-bipyridine) are discussed on the basis of an Ising-chain model that takes into account alternating Landé factors. It is emphasized, for the first time, that a homometallic chain containing only one type of site can give rise to a 1D ferrimagneticlike behavior.

  2. Entanglement Entropy in 1-D integrable chains

    NASA Astrophysics Data System (ADS)

    Franchini, Fabio; Evangelisti, Stefano; Ercolessi, Elisa; Ravanini, Francesco; de Luca, Andrea

    2012-02-01

    We study analytically the Renyi entropy of a bipartite lattice in the limit of two semi-infinite chains joined at the origin, for a few integrable 1-dimensional models, by using the techniques of Corner Transfer Matrices of the corresponding 2-D classical systems, namely the 8-vertex model and the RSOS. In the scaling limit, close to a conformal point, we reproduce the leading behavior expected from CFT prediction. The sub-leading corrections, however, differ from na"ive expectations and we show that lattice effect can give rise to additional relevant terms in any numerical approach. Moreover, in the vicinity of a non-conformal (ferromagnetic) point, we observe a violation of universality and a behavior of the entropy characteristic of an essential singularity.

  3. Homochiral 3D metal-organic frameworks from chiral 1D rods: 6-way helical packing.

    PubMed

    Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Kim, Jaheon; Thallapally, Praveen K; Jeong, Nakcheol

    2011-09-01

    The chiral 3D MOFs resulted from the packing of chiral 1D SBBs were studied. It was demonstrated that the final packing pattern is sensitively dependent on the dimension of SBBs. In addition, we were able to identify a new plywood-like network from ligand 2H(2) exhibiting an unprecedented six-way chiral helical packing motif, which extends the list of invariant rod packings. PMID:21773637

  4. Magnetic behavior of some 1D Cu chains

    NASA Astrophysics Data System (ADS)

    Willett, Roger D.; Gomez-García, Carlos J.; Ghosh, Ashutosh

    2004-05-01

    The magnetic properties of three 1D copper(II) salts are reported. The compound Cu(14ane)Cu(N 3) 4 contains alternating site chains with weak FM coupling with J/k=0.635 K . Magnetization studies are reported on Cu(TIM)CuCl 4, an alternating site, alternating FM/AFM exchange system with J FM/k=29.7 K and J AFM/k=-8.66 K. (HPy) 2Cu 3Cl 8.2H 2O contains FM chains composed of alternating Cu 2Cl 62- dimers and CuCl 2(H 2O) 2 monomers, with intradimer coupling J 1/k=17.35 K and dimer-monomer coupling J 2/k=1.93 K .

  5. MX chains: 1-D analog of CuO planes

    SciTech Connect

    Gammel, J.T.; Batistic, I.; Bishop, A.R.; Loh, E.Y. Jr.; Marianer, S.

    1989-01-01

    We study a two-band Peierls-Hubbard model for halogen-bridged mixed-valence transition metal linear chain complexes (MX chains). We include electron-electron correlations (both Hubbard and PPP-like expressions) using several techniques including calculations in the zero-hopping limit, exact diagonalization of small systems, mean field approximation, and a Gutzwiller-like Ansatz for quantum phonons. The adiabatic optical absorption and phonon spectra for both photo-excited and doping induced defects (kinks, polarons, bipolarons, and excitons) are discussed. A long period phase which occurs even at commensurate filling for certain parameter values may be related to twinning. The effect of including the electron-phonon in addition to the electron-electron interaction on the polaron/bipolaron (pairing) competition is especially interesting when this class of compounds is viewed as a 1-D analog of high-temperature superconductors. 6 refs., 4 figs.

  6. Majorana states in helical Shiba chains and ladders

    NASA Astrophysics Data System (ADS)

    Ojanen, Teemu; Poyhonen, Kim; Westsrom, Alex; Rontynen, Joel; Nanotheory Team

    2014-03-01

    Motivated by recent proposals to realize Majorana bound states in chains and arrays of magnetic atoms deposited on top of a superconductor, we study the topological properties of various chain structures, ladders and two-dimensional arrangements exhibiting magnetic helices. We show that magnetic domain walls where the chirality of a magnetic helix is inverted support two protected Majorana states giving rise to a tunneling conductance peak twice the height of a single Majorana state. Multiple overlapping Majorana states are protected by chiral symmetry which is present in systems exhibiting planar magnetic textures. Thus the topological properties of coupled chains exhibit nontrivial behaviour as a function of the number of chains beyond the even-odd dichotomy expected from Z2 classification. In addition, it is possible that a ladder of two or more coupled chains exhibit Majorana edge states even when decoupled chains are trivial. The authors acknowledge the Academy of Finland for support.

  7. Helical [110] gold nanowires make longer linear atomic chains

    NASA Astrophysics Data System (ADS)

    Amorim, Edgard; da Silva, Edison

    2009-03-01

    Experiments performed on nanowires (NWs) synthesized by electron beam irradiation technique have shown that gold NWs formed along the [110] direction become helical when the NWs are sufficiently thin [1]. Moreover, helical and other non-crystalline structures have been theoretically predicted to other few metals [2]. Our study using tight-binding molecular dynamics show that gold NWs formed along the [110] direction reconstruct upon stress to form helical NWs. We discuss this formation and our results seem to indicate that an intrinsic mechanism is responsible for the formation of the helical structure. These helical NWs evolve on stretching to form linear atomic chains (LACs) and because they do not form symmetrical tips, these NWs produce longer LACs than other NWs. We use ab initio calculations to study the NW obtained from the tigth-binding simulations at stages close to rupture and compare LAC distances obtained with both methods. Furthermore, we investigate the electronic structure of the NW close to rupture [3]. [1] Y. Kondo, and K. Takayanagi, Science 289, 606 (2000). [2] O. Gulseren, F. Ercolessi and E. Tosatti, Phys. Rev. Lett. 80, 3775 (1998). [3] E.P.M. Amorim and E.Z. da Silva, Phys. Rev. Lett. 101, 125502 (2008).

  8. Stable double helical iodine chains inside single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Yao, Zhen; Liu, Chun-Jian; Lv, Hang; Liu, Bing-Bing

    2016-08-01

    The helicity of stable double helical iodine chains inside single-walled carbon nanotubes (SWCNTs) is studied by calculating the systematic interaction energy. Our results present clear images of stable double helical structures inside SWCNTs. The optimum helical radius and helical angle increase and decrease with increasing diameter, respectively. The tube's diameter plays a leading role in the helicity of encapsulated structures, while the tube's chirality may induce different metastable structures. This study indicates that the observed double helical iodine chains in experiments are not necessarily the optimum structures, but may also be metastable structures.

  9. Cooperative microexcitations in 2+1D chain-bundle dusty plasma liquids

    SciTech Connect

    Io, C.-W.; Chan, C.-L.; Lin I

    2010-05-15

    Through direct visualization at the discrete level, the microexcitations in cold 2+1D dusty plasma liquids formed by negatively charged dusts suspended in low pressure gaseous discharges were experimentally investigated, in which the downward ion flow wake field induces strong vertical coupling and chain bundle structure. It is found that the horizontal structure and motion are similar to those of the two-dimensional liquid. Different types of basic cooperative chain excitations: straight vertical chains with small amplitude jittering, chain tilting-restraightening, bundle twisting-restraightening, and chain breaking-reconnection, are observed. The region with good (poor) horizontal structural order prefers the straight (tilted or broken) chains with little (large) titling and tilting rate.

  10. A green luminescent 1-D helical tubular dipyrazol-bridged cadmium(II) complex: a coordination tube included in a supramolecular tube.

    PubMed

    Sun, Yan-Qiong; Deng, Song; Liu, Qi; Ge, Su-Zhi; Chen, Yi-Ping

    2013-08-01

    A 1-D helical tubular cadmium coordination polymer, [Cd(H2Me4bpz)(H2bidc)2]n (1, H2Me4bpz = 3,3',5,5'-tetramethyl-4,4'-bipyrazole; H3bidc = benzimidazole-5,6-dicarboxylic acid) was hydrothermally synthesized and characterized by means of elemental analyses, PXRD, IR, 2D IR correlation spectra, solid UV, TG analysis, luminescence spectroscopy and single crystal X-ray diffraction. The crystal structure of 1 is a unique example of a 1D helical tube-in-tube structure. Interestingly, the [Cd(H2Me4bpz)] coordination helical tube is included in the [Cd(H2bidc)] supramolecular helical tube with the same handness. The compound displays a green luminescence upon excitation at 397 nm. PMID:23752348

  11. A metallic carbon consisting of helical carbon triangle chains.

    PubMed

    Hu, Meng; Dong, Xiao; Pan, Yilong; Xu, Bo; Yu, Dongli; He, Julong

    2014-06-11

    Carbon is the basis of life on Earth and many technological applications. We computationally report an sp3-hybridization-assembled carbon allotrope constructed by helical triangle chains through the evolutionary structure prediction method. Different from the previous metallic carbon K4, this carbon, called Tri-carbon, is mechanically and dynamically stable at ambient pressure. High ring strain in the carbon triangle blocks forces the C–C bond in Tri-carbon to be a 'bent bond', rather than the common single bond in diamond or the π bond in graphite. Unlike the unstrained sp3-hybridization in semiconductive diamond, valence electrons in the 'bent bond' are recombined to form extremely anisotropic sp3-hybridized bonds, thus conferring metallicity to Tri-carbon. Under nonhydrostatic conditions, Tri-carbon shows significantly anisotropic ideal tensile and compressive strength. Tri-carbon is expected to be achieved through chemical methods, such as the synthesis of cyclopropane derivatives (e.g. triangulane and tetrahedrane). These methods eliminate the restriction of ultra-high pressure to obtain metallic carbons. PMID:25932471

  12. Propagation of excitation in long 1D chains: Transition from regular quantum dynamics to stochastic dynamics

    SciTech Connect

    Benderskii, V. A.; Kats, E. I.

    2013-01-15

    The quantum dynamics problem for a 1D chain consisting of 2N + 1 sites (N Much-Greater-Than 1) with the interaction of nearest neighbors and an impurity site at the middle differing in energy and in coupling constant from the sites of the remaining chain is solved analytically. The initial excitation of the impurity is accompanied by the propagation of excitation over the chain sites and with the emergence of Loschmidt echo (partial restoration of the impurity site population) in the recurrence cycles with a period proportional to N. The echo consists of the main (most intense) component modulated by damped oscillations. The intensity of oscillations increases with increasing cycle number and matrix element C of the interaction of the impurity site n = 0 with sites n = {+-}1 (0 < C {<=} 1; for the remaining neighboring sites, the matrix element is equal to unity). Mixing of the components of echo from neighboring cycles induces a transition from the regular to stochastic evolution. In the regular evolution region, the wave packet propagates over the chain at a nearly constant group velocity, embracing a number of sites varying periodically with time. In the stochastic regime, the excitation is distributed over a number of sites close to 2N, with the populations varying irregularly with time. The model explains qualitatively the experimental data on ballistic propagation of the vibrational energy in linear chains of CH{sub 2} fragments and predicts the possibility of a nondissipative energy transfer between reaction centers associated with such chains.

  13. Intra-chain superexchange couplings in quasi-1D 3d transition-metal magnetic compounds.

    PubMed

    Xiang, Hongping; Tang, Yingying; Zhang, Suyun; He, Zhangzhen

    2016-07-13

    The electronic structure and magnetic properties of the quasi-1D transition-metal borates PbMBO4 (M  =  Ti, V, Cr, Mn, Fe, Co) have been investigated by density functional theory, including electronic correlation. The results evidence PbCrBO4 and PbFeBO4 as antiferromagnetic (AFM) semiconductors (intra-chain AFM and inter-chain FM) and PbMnBO4 as a ferromagnetic (FM) semiconductor (both intra- and inter-chain FM) in accordance with experimental observations. For non-synthesized PbTiBO4, PbVBO4, and PbCoBO4, the ground-state magnetic structures are paramagnetic, FM, and paramagnetic, respectively. In this series of compounds, there are two kinds of superexchange couplings dominating their magnetic properties, i.e. the direction M-M delocalization superexchange and indirect M-O-M correlation superexchange. For PbMBO4 with M (3+) d  (n) , n  ⩽  3 (M  =  V and Cr), the main intra-chain spin coupling is the M-M t 2g-t 2g direct delocalization superexchange, while for PbMBO4 with M (3+) d  (n) , n  >  3 (M  =  Mn and Fe), the main intra-chain spin coupling is the near 90° M-O-M e g-p-e g indirect correlation superexchange. PMID:27213502

  14. Intra-chain superexchange couplings in quasi-1D 3d transition-metal magnetic compounds

    NASA Astrophysics Data System (ADS)

    Xiang, Hongping; Tang, Yingying; Zhang, Suyun; He, Zhangzhen

    2016-07-01

    The electronic structure and magnetic properties of the quasi-1D transition-metal borates PbMBO4 (M  =  Ti, V, Cr, Mn, Fe, Co) have been investigated by density functional theory, including electronic correlation. The results evidence PbCrBO4 and PbFeBO4 as antiferromagnetic (AFM) semiconductors (intra-chain AFM and inter-chain FM) and PbMnBO4 as a ferromagnetic (FM) semiconductor (both intra- and inter-chain FM) in accordance with experimental observations. For non-synthesized PbTiBO4, PbVBO4, and PbCoBO4, the ground-state magnetic structures are paramagnetic, FM, and paramagnetic, respectively. In this series of compounds, there are two kinds of superexchange couplings dominating their magnetic properties, i.e. the direction M–M delocalization superexchange and indirect M–O–M correlation superexchange. For PbMBO4 with M 3+ d  n , n  ⩽  3 (M  =  V and Cr), the main intra-chain spin coupling is the M–M t 2g–t 2g direct delocalization superexchange, while for PbMBO4 with M 3+ d  n , n  >  3 (M  =  Mn and Fe), the main intra-chain spin coupling is the near 90° M–O–M e g–p–e g indirect correlation superexchange.

  15. Vibron properties in quasi 1D molecular structures: the case of two parallel unshifted macromolecuar chains

    NASA Astrophysics Data System (ADS)

    Čevizović, D.; Petković, S.; Galović, S.; Reshetnyak, A.; Chizhov, A.

    2016-01-01

    We study the hopping mechanism of the vibron excitation transport in the system of two parallel unshifted 1D macromolecuar chains in the framework of non-adiabatic polaron theory. We suppose that the vibron interaction with thermal oscillations of the macromolecular structural elements will result in vibron self-trapping and the formation of the partial dressed vibron state. We also suppose that quasiparticle motion takes place via a sequence of random sitejumps, in each of which the quasiparticle can migrate either to the first neighbor site of the macromolecular chain. With use of the modified Holstein polaron model, we calculate the vibron effective mass in dependence of the basic system parameters and temperature. Special attention is paid to the influence of interchain coupling on vibron dressing. We find that for certain values of the system parameters the quasiparticle mass abruptly changes.

  16. TCTEX1D4 Interactome in Human Testis: Unraveling the Function of Dynein Light Chain in Spermatozoa

    PubMed Central

    Freitas, Maria João; Korrodi-Gregório, Luís; Morais-Santos, Filipa; da Cruz e Silva, Edgar

    2014-01-01

    Abstract Studies were designed to identify the TCTEX1D4 interactome in human testis, with the purpose of unraveling putative protein complexes essential to male reproduction and thus novel TCTEX1D4 functions. TCTEX1D4 is a dynein light chain that belongs to the DYNT1/TCTEX1 family. In spermatozoa, it appears to be important to sperm motility, intraflagellar transport, and acrosome reaction. To contribute to the knowledge on TCTEX1D4 function in testis and spermatozoa, a yeast two-hybrid assay was performed in testis, which allowed the identification of 40 novel TCTEX1D4 interactors. Curiously, another dynein light chain, TCTEX1D2, was identified and its existence demonstrated for the first time in human spermatozoa. Immunofluorescence studies proved that TCTEX1D2 is an intra-acrosomal protein also present in the midpiece, suggesting a role in cargo movement in human spermatozoa. Further, an in silico profile of TCTEX1D4 revealed that most TCTEX1D4 interacting proteins were not previously characterized and the ones described present a very broad nature. This reinforces TCTEX1D4 as a dynein light chain that is capable of interacting with a variety of functionally different proteins. These observations collectively contribute to a deeper molecular understanding of the human spermatozoa function. PMID:24606217

  17. Markov Chain Monte Carlo Sampling Methods for 1D Seismic and EM Data Inversion

    2008-09-22

    This software provides several Markov chain Monte Carlo sampling methods for the Bayesian model developed for inverting 1D marine seismic and controlled source electromagnetic (CSEM) data. The current software can be used for individual inversion of seismic AVO and CSEM data and for joint inversion of both seismic and EM data sets. The structure of the software is very general and flexible, and it allows users to incorporate their own forward simulation codes and rockmore » physics model codes easily into this software. Although the softwae was developed using C and C++ computer languages, the user-supplied codes can be written in C, C++, or various versions of Fortran languages. The software provides clear interfaces for users to plug in their own codes. The output of this software is in the format that the R free software CODA can directly read to build MCMC objects.« less

  18. Helical folding of conjugated oligo(phenyleneethynylene): chain-length dependence, solvent effects, and intermolecular assembly.

    PubMed

    Zhu, Ningbo; Yan, Qifan; Luo, Zhouyang; Zhai, You; Zhao, Dahui

    2012-10-01

    As a representative folding system that features a conjugated backbone, a series of monodispersed (o-phenyleneethynylene)-alt-(p-phenyleneethynylene) (PE) oligomers of varied chain length and different side chains were studied. Molecules with the same backbone but different side-chain structures were shown to exhibit similar helical conformations in respectively suitable solvents. Specifically, oligomers with dodecyloxy side chains folded into the helical structure in apolar aliphatic solvents, whereas an analogous oligomer with tri(ethylene glycol) (Tg) side chains adopted the same conformation in polar solvents. The fact that the oligomers with the same backbone manifested a similar folded conformation independent of side chains and the nature of the solvent confirmed the concept that the driving force for folding was the intramolecular aromatic stacking and solvophobic interactions. Although all were capable of inducing folding, different solvents were shown to bestow slightly varied folding stability. The chain-length dependence study revealed a nonlinear correlation between the folding stability with backbone chain length. A critical size of approximately 10 PE units was identified for the system, beyond which folding occurred. This observation corroborated the helical nature of the folded structure. Remarkably, based on the absorption and emission spectra, the effective conjugation length of the system extended more effectively under the folded state than under random conformations. Moreover, as evidenced by the optical spectra and dynamic light-scattering studies, intermolecular association took place among the helical oligomers with Tg side chains in aqueous solution. The demonstrated ability of such a conjugated foldamer in self-assembling into hierarchical supramolecular structures promises application potential for the system. PMID:22829335

  19. Alpha-helical stabilization by side chain shielding of backbone hydrogen bonds.

    PubMed

    García, Angel E; Sanbonmatsu, Kevin Y

    2002-03-01

    We study atomic models of the thermodynamics of the structural transition of peptides that form alpha-helices. The effect of sequence variation on alpha-helix formation for alanine-rich peptides, Ac-Ala21-methyl amide (A21) and Ac-A5 (AAARA)3A-methyl amide (Fs peptide), is investigated by atomic simulation studies of the thermodynamics of the helix-coil transition in explicit water. The simulations show that the guanidinium group in the Arg side chains in the Fs peptide interacts with the carbonyl group four amino acids upstream in the chain and desolvates backbone hydrogen bonds. This desolvation can be directly correlated with a higher probability of hydrogen bond formation. We find that Fs has higher helical content than A21 at all temperatures. A small modification in the amber force field reproduces the experimental helical content and helix-coil transition temperatures for the Fs peptide. PMID:11867710

  20. 2D warp-and-woof interwoven networks constructed by helical chains with different chirality.

    PubMed

    Feng, Yuhua; Guo, Yang; OuYang, Yan; Liu, Zhanquan; Liao, Daizheng; Cheng, Peng; Yan, Shiping; Jiang, Zonghui

    2007-09-21

    Two unprecedented 2D entangled layers of warp-and-woof threads interwoven by left- and right-handed helical chains, {[Mn(salen)Au(CN)2]4(H2O)}n (salen = N,N'-ethylenebis(salicylideneaminato)) and {Mn(acacen)Ag(CN)2}n (acacen = N,N'-ethylenebis(acetylacetonylideneiminate)) 2, have been synthesized and characterized. PMID:17728880

  1. Effect of chain length on the formation and stability of synthetic alpha-helical coiled coils.

    PubMed

    Su, J Y; Hodges, R S; Kay, C M

    1994-12-27

    A series of polypeptides containing 9, 12, 16, 19, 23, 26, 30, 33, and 35 amino acid residues was designed to investigate the effects of peptide chain length on the formation and stability of two-stranded alpha-helical dimers or coiled coils. These peptides were synthesized by the solid-phase method, purified by reversed-phase high-performance liquid chromatography (RP-HPLC), and characterized by RP-HPLC, amino acid composition analysis, and mass spectrometry. The amphipathic alpha-helical peptides were designed to dimerize by interchain hydrophobic interactions at positions a and d and interchain salt bridges between lysine and glutamic acid residues at positions e and g of the repeating heptad sequence of Glu-Ile-Glu-Ala-Leu-Lys-Ala (g-a-b-c-d-e-f). The ability of these peptides to form alpha-helical structures in the presence and absence of a helix-inducing reagent (trifluoroethanol) was monitored by circular dichroism spectroscopy. The helicity of the peptides increased with increasing chain length in a cooperative manner. A minimum of three heptads corresponding to six helical turns was required for a peptide to adopt the two-stranded alpha-helical coiled coil conformation in aqueous medium. The increased stability of the peptides as a result of an increase in hydrophobic interactions (chain length) was demonstrated by the shift in the transitions of the guanidine hydrochloride (Gdn.HCl) denaturation and thermal unfolding profiles. The concentrations of denaturant (Gdn.HCl) required to achieve 50% denaturation are 3.2, 4.9, 6.9, and 7.5 M for peptides 23r, 26r, 30r, and 33r, respectively, in aqueous medium. However, the effect of a chain length increase on coiled-coil stability was not additive. The melting temperature, Tm, at which 50% of the helicity is lost, increased by 34 degrees C in changing the peptide chain length from 23 to 26; however, that shift was only 14 degrees C when the chain length was increased from 30 to 33 residues. These results are

  2. Structure of an α-Helical Peptide and Lipopeptide Bound to the Nonclassical Major Histocompatibility Complex (MHC) Class I Molecule CD1d.

    PubMed

    Girardi, Enrico; Wang, Jing; Zajonc, Dirk M

    2016-05-13

    Mouse CD1d is a nonclassical MHC molecule able to present lipids and glycolipids to a specialized subset of T cells known as natural killer T cells. The antigens presented by CD1d have been shown to cover a broad range of chemical structures and to follow precise rules determining the potency of the antigen in the context of T cell activation. Together with lipids, initial reports suggested that CD1d can also bind and present hydrophobic peptides with (F/W)XX(I/L/M)XXW. However, the exact location of peptide binding and the molecular basis for the required motif are currently unknown. Here we present the crystal structure of the first peptide identified to bind CD1d, p99, and show that it binds in the antigen-binding groove of CD1d in a manner compatible with its presentation to T cell receptors. Interestingly, the peptide adopts an α-helical conformation, which orients the motif residues toward its deep binding groove, therefore explaining the molecular requirements for peptide binding. Moreover, we demonstrate that a lipopeptide version of the same peptide is able to bind CD1d in a similar conformation, identifying another class of molecules binding this antigen-presenting molecule. PMID:27006394

  3. Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties

    NASA Astrophysics Data System (ADS)

    Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng

    2016-06-01

    Under solvothermal conditions, the reactions of CoII/ZnII ions with bent ligand 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole (4-Hpzpt) afford two compounds {[M(4-pzpt)2] guest}n (guest=H2O, M=CoII (1), ZnII (2)). Both compounds are the thermally and hydrolytically robust 4-connected 3D NbO framework, which formed by double helical chains to give rise to 1D hollow nanochannel with uncoordinated nitrogens completely exposed on the pore surface. Compound 1 exhibits improved N2, CO2 and H2 uptake capacities, while compound 2 displays the strong luminescent emission with obvious red shift.

  4. Measurement-induced disturbance and thermal negativity in 1D optical lattice chain

    SciTech Connect

    Guo, Jin-Liang; Lin-Wang; Long, Gui-Lu

    2013-03-15

    We study the measurement-induced disturbance (MID) in a 1D optical lattice chain with nonlinear coupling. Special attention is paid to the difference between the thermal entanglement and MID when considering the influences of the linear coupling constant, nonlinear coupling constant and external magnetic field. It is shown that MID is more robust than thermal entanglement against temperature T and external magnetic field B, and MID may reveal more properties about quantum correlations of the system, which can be seen from the point of view that MID can be nonzero when there is no thermal entanglement and MID can detect the critical point of quantum phase transition at finite temperature. - Highlights: Black-Right-Pointing-Pointer The nonlinear coupling constant can strengthen the quantum correlation. Black-Right-Pointing-Pointer MID is more robust than entanglement against temperature and magnetic field. Black-Right-Pointing-Pointer MID exhibits more information about quantum correlation than entanglement. Black-Right-Pointing-Pointer MID can detect the critical point of quantum phase transition at finite temperature.

  5. Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.

    PubMed

    Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan

    2013-06-21

    Two pairs of enantiomerically pure three-dimensional (3D) chiral polyoxometalate (POM) framework materials l,d-[K(H2O)]6·[H2GeW12O40]3·35H2O (1a and 1b) and l,d-[K(H2O)]6·[H2SiW12O40]3·29H2O (2a and 2b) based on inorganic achiral building blocks, have been synthesized and characterized by X-ray crystallography, elemental analysis, powder X-ray diffraction (PXRD), UV-Vis spectroscopy, circular dichroism (CD) spectra. Single-crystal X-ray diffraction analyses revealed that 1a and 1b, 2a and 2b are enantiomers, respectively. In 1a and 1b, 2a and 2b, {K(H2O)}n link terminal oxygen and μ2-bridging oxygen of Keggin-type polyanion moieties to generate 1D 31 helical infinite chiral chains, which are further connected by the achiral Keggin-type polyoxoanions to form 3D 4,8-connected chiral self-assembly frameworks with {4(12)·6(10)·8(6)}{4(6)}2 topology. 1 and 2 are isostructural. They are obtained by spontaneous resolution upon crystallization in the absence of any chiral source. They represent new examples of chiral self-penetrating pure inorganic frameworks known for POM systems. Compounds 1 and 2 display adsorption activity toward volatile organic compounds (VOCs). PMID:23629579

  6. Propagation of the Ultra-Short Laser Pulses Through the Helical 1D Photonic Crystal Structure with Twist Defect

    NASA Astrophysics Data System (ADS)

    Antonov, Dmitrii V.; Iegorov, Roman

    2016-02-01

    The presence of the photonic band-gap is a featured property of the cholesteric liquid crystals (CLC). It can be practically realized for almost any reasonable wavelengths with very high degree of tunability. We have investigated theoretically the influence of the twist defect of the CLC helical structure onto the bandwidth-limited ultra-short laser pulse propagating inside the photonic band-gap. The changes of both pulse duration and peak power with defect angle were observed together with pulse acceleration and retardation for a case of normal incidence of the light.

  7. Quantum Creep and Quantum-Creep Transitions in 1D Sine-Gordon Chains.

    PubMed

    Krajewski, Florian R; Müser, Martin H

    2004-01-23

    Discrete sine-Gordon (SG) chains are studied with path-integral molecular dynamics. Chains commensurate with the substrate show the transition from pinning to quantum creep at bead masses slightly larger than in the continuous SG model. Within the creep regime, a field-driven transition from creep to complete depinning is identified. The effects of disorder on the chain's dynamics depend on the potential's roughness exponent H. For example, quantum fluctuations are generally too small to depin the chain if H=1/2, while an H=0 chain can be pinned or unpinned depending on the bead masses. Thermal fluctuations always depin the chain. PMID:14753858

  8. The Relationship Between the Sloshing and Breathing Frequencies in a 1D Vertically Aligned Dust Particle Chain

    NASA Astrophysics Data System (ADS)

    Kong, Jie; Qiao, Ke; Sabo, Hannah; Matthews, Lorin; Hyde, Truell

    2013-10-01

    When confined in a glass box placed on the lower powered electrode of a GEC rf reference cell, dust particles immersed in plasma can form vertically aligned 1D chains. Both the formation and subsequent structural changes within this vertically aligned dust chain are controlled by the rf power, since the rf power effects the ionization rate in the cell, the screening parameter and the charge on the dust particles. In this study, oscillations of a 1D vertically aligned dust particle chain are employed to investigate the dust charge and screening length through measurement of the resonance frequency. It will be shown that the relationship between the sloshing and breathing frequencies indicates that the ion streaming effect plays an important role in vertical oscillations and must be included in any structural analysis of the system.

  9. A Porous Metal-Organic Framework with Helical Chain Building Units Exhibiting Facile Transition from Micro- to Meso-porosity

    SciTech Connect

    Park, Jinhee; Li, Jian-Rong; Carolina Sañudo, E.; Yuan, Daqiang; Zhou, Hong-Cai

    2012-01-01

    A metal–organic framework (MOF) with helical channels has been constructed by bridging helical chain secondary building units with 2,6-di-p-carboxyphenyl-4,4'-bipyridine ligands. The activated MOF shows permanent porosity and gas adsorption selectivity. Remarkably, the MOF exhibits a facile transition from micro- to meso-porosity.

  10. From 1D chain to 3D network: A theoretical study on TiO2 low dimensional structures

    NASA Astrophysics Data System (ADS)

    Guo, Ling-ju; Zeng, Zhi; He, Tao

    2015-06-01

    We have performed a systematic study on a series of low dimensional TiO2 nanostructures under density functional theory methods. The geometries, stabilities, growth mechanism, and electronic structures of 1D chain, 2D ring, 2D ring array, and 3D network of TiO2 nanostructures are analyzed. Based on the Ti2O4 building unit, a series of 1D TiO2 nano chains and rings can be built. Furthermore, 2D ring array and 3D network nanostructures can be constructed from 1D chains and rings. Among non-periodic TiO2 chain and ring structures, one series of ring structures is found to be more stable. The geometry model of the 2D ring arrays and 3D network structures in this work has provided a theoretical understanding on the structure information in experiments. Based on these semiconductive low dimensional structures, moreover, it can help to understand and design new hierarchical TiO2 nanostructure in the future.

  11. From 1D chain to 3D network: A theoretical study on TiO{sub 2} low dimensional structures

    SciTech Connect

    Guo, Ling-ju; He, Tao; Zeng, Zhi

    2015-06-14

    We have performed a systematic study on a series of low dimensional TiO{sub 2} nanostructures under density functional theory methods. The geometries, stabilities, growth mechanism, and electronic structures of 1D chain, 2D ring, 2D ring array, and 3D network of TiO{sub 2} nanostructures are analyzed. Based on the Ti{sub 2}O{sub 4} building unit, a series of 1D TiO{sub 2} nano chains and rings can be built. Furthermore, 2D ring array and 3D network nanostructures can be constructed from 1D chains and rings. Among non-periodic TiO{sub 2} chain and ring structures, one series of ring structures is found to be more stable. The geometry model of the 2D ring arrays and 3D network structures in this work has provided a theoretical understanding on the structure information in experiments. Based on these semiconductive low dimensional structures, moreover, it can help to understand and design new hierarchical TiO{sub 2} nanostructure in the future.

  12. Helical order in one-dimensional magnetic atom chains and possible emergence of Majorana bound states

    NASA Astrophysics Data System (ADS)

    Kim, Younghyun; Cheng, Meng; Bauer, Bela; Lutchyn, Roman M.; Das Sarma, S.

    2014-08-01

    We theoretically obtain the phase diagram of localized magnetic impurity spins arranged in a one-dimensional chain on top of a one- or two-dimensional electron gas. The interactions between the spins are mediated by the Ruderman-Kittel-Kasuya-Yosida mechanism through the electron gas. Recent work predicts that such a system may intrinsically support topological superconductivity without spin-orbit coupling when a helical spin-density wave is spontaneously formed in the spins, and superconductivity is induced in the electron gas. We analyze, using both analytical and numerical techniques, the conditions under which such a helical spin state is stable in a realistic situation in the presence of disorder. We show that (i) it appears only when the spins are coupled to a (quasi-) one-dimensional electron gas, and (ii) it becomes unstable towards the formation of (anti)ferromagnetic domains if the disorder in the impurity spin positions δR becomes comparable with the Fermi wavelength. We also examine the stability of the helical state against Gaussian potential disorder in the electronic system using a diagrammatic approach. Our results suggest that in order to stabilize the helical spin state and thus the emergent topological superconductivity under realistic experimental conditions, a sufficiently strong Rashba spin-orbit coupling, giving rise to Dzyaloshinskii-Moriya interactions, is required.

  13. Role of side-chain interactions on the formation of α -helices in model peptides

    NASA Astrophysics Data System (ADS)

    Mahmoudinobar, Farbod; Dias, Cristiano L.; Zangi, Ronen

    2015-03-01

    The role played by side-chain interactions on the formation of α -helices is studied using extensive all-atom molecular dynamics simulations of polyalanine-like peptides in explicit TIP4P water. The peptide is described by the OPLS-AA force field except for the Lennard-Jones interaction between Cβ-Cβ atoms, which is modified systematically. We identify values of the Lennard-Jones parameter that promote α -helix formation. To rationalize these results, potentials of mean force (PMF) between methane-like molecules that mimic side chains in our polyalanine-like peptides are computed. These PMF exhibit a complex distance dependence where global and local minima are separated by an energy barrier. We show that α -helix propensity correlates with values of these PMF at distances corresponding to Cβ-Cβ of i -i +3 and other nearest neighbors in the α -helix. In particular, the set of Lennard-Jones parameters that promote α -helices is characterized by PMF that exhibit a global minimum at distances corresponding to i -i +3 neighbors in α -helices. Implications of these results are discussed.

  14. Single molecule magnet behavior observed in a 1-D dysprosium chain with quasi-D5h symmetry.

    PubMed

    Huang, Xing-Cai; Zhang, Ming; Wu, Dayu; Shao, Dong; Zhao, Xin-Hua; Huang, Wei; Wang, Xin-Yi

    2015-12-28

    Two one-dimensional (1-D) chain complexes with pentagonal bipyramidal Dy(III) centers have been synthesized and magnetically characterized. Field-induced single molecule magnet behavior has been revealed in both compounds, which is still rarely reported in a lanthanide compound with a pentagonal bipyramidal coordination geometry. Their crystal field parameters and orientations of the magnetic easy axes were obtained from the simulation of the magnetic data and the electrostatic model calculation. PMID:26593051

  15. Helical structures in vertically aligned dust particle chains in a complex plasma.

    PubMed

    Hyde, Truell W; Kong, Jie; Matthews, Lorin S

    2013-05-01

    Self-assembly of structures from vertically aligned, charged dust particle bundles within a glass box placed on the lower, powered electrode of a Gaseous Electronics Conference rf reference cell were produced and examined experimentally. Self-organized formation of one-dimensional vertical chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from a one-dimensional chain structure, through a zigzag transition to a two-dimensional, spindlelike structure, and then to various three-dimensional, helical structures exhibiting multiple symmetries. Stable configurations are found to be dependent upon the system confinement, γ(2)=(ω(0h)/ω(0v))(2) (where ω(0h,v) are the horizontal and vertical dust resonance frequencies), the total number of particles within a bundle, and the rf power. For clusters having fixed numbers of particles, the rf power at which structural phase transitions occur is repeatable and exhibits no observable hysteresis. The critical conditions for these structural phase transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop are in good agreement with the theoretically predicted configurations of minimum energy determined employing molecular dynamics simulations for charged dust particles confined in a prolate, spheroidal potential as presented theoretically by Kamimura and Ishihara [Kamimura and Ishihara, Phys. Rev. E 85, 016406 (2012)]. PMID:23767642

  16. Terahertz excitations in the 1D Ising chain quantum magnet CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher M.; Valdés Aguilar, R.; Koopayeh, S.; Broholm, C.; Armitage, N. P.

    2012-02-01

    The one-dimensional magnet CoNb2O6 was recently demonstrated to be an excellent realization of a one-dimensional quantum Ising spin chain. It has been shown to undergo a quantum phase transition in a magnetic field oriented transverse to its ferromagnetically aligned spin chains. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.ootnotetextR. Coldea, et al, Science 327, 177 (2010) The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate optically active low energy excitations in CoNb2O6. We take advantage of the polarization sensitivity of this technique to characterize both electric and magnetic dipole active excitations in this compound. A connection is made from the q=0 response observed here to the excitations observed by neutron scattering. In addition, we will show preliminary data on the terahertz spectra of this material as it undergoes the magnetic field-tuned quantum phase transition.

  17. Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains

    NASA Astrophysics Data System (ADS)

    He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni

    2016-07-01

    Solvothermal reactions of Zn(II) acetates and four V-shaped carboxylates ligands in the presence of 1,4-Bis(2-methyl-imidazol-1-yl)butane afforded four interesting Zn(II) coordination polymers with helical chains, namely, {[Zn(bib)(atibdc)]·2H2O}n (1), {[Zn(bib)(atbip)]·H2O}n (2), [Zn(bib)(2,2‧-tda)]}n (3) and {[Zn(bib)(5-tbipa)]·EtOH}n (4), (H2atibdc=5-amino-2,4,6-triiodoisophthalic acid, H2atbip=5-amino-2,4,6-tribromoisophthalic acid, 2,2‧-H2tad=2,2‧-thiodiacetic acid, 5-H2tbipa=5-tert-butyl-isophthalic acid). 1 reveals a 3D chiral framework with three kinds of helical chains along a, b and c axis. 2 shows a 2D step-type chiral framework with right-handed helical chains. 3 displays a wavelike 2D layer network possessing alternate left- and right-handed helical chains. 4 presents a four-connected 3D framework with zigzag and meso-helical chains. The different spacers and substituent group of carboxylic acid ligands may lead to the diverse network structures of 1-4. The fluorescent properties of complexes 1-4 were studied. In addition, the thermal decompositions properties of 1-4 were investigated by simultaneous TG/DTG-DSC technique. The apparent activation energy E and the pre-exponential factor (A) of skeleton collapse for the complexes 1-4 are calculated by the integral Kissinger's method and Ozawa-Doyle's method. The activation energy E (E1=209.658 kJ·mol-1, E2=250.037 kJ mol-1, E3=225.300 kJ mol-1, E4=186.529 kJ·mol-1) demonstrates that the reaction rate of the melting decomposition is slow. The thermodynamic parameters (ΔH‡, ΔG‡ and ΔS‡) at the peak temperatures of the DTG curves were also calculated. ΔG‡>0 indicates that the skeleton collapse is not spontaneous. ΔHd>0 suggests that the skeleton collapse is endothermic, corresponding to the intense endothermic peak of the DSC curve. The structural stability could be illustrated from the point of thermodynamics and kinetics. Their thermal decompositions properties of 1-4 were

  18. Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

    NASA Astrophysics Data System (ADS)

    Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

    2016-09-01

    Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

  19. Quantum Bocce: Magnon-magnon collisions between propagating and bound states in 1D spin chains

    NASA Astrophysics Data System (ADS)

    Longo, Paolo; Greentree, Andrew D.; Busch, Kurt; Cole, Jared H.

    2013-08-01

    The dynamics of two magnons in a Heisenberg spin chain under the influence of a non-uniform magnetic field is investigated by means of a numerical wave-function-based approach using a Holstein-Primakoff transformation. The magnetic field is localized in space such that it supports exactly one single-particle bound state. We study the interaction of this bound mode with an incoming spin wave and the interplay between transmittance, energy and momentum matching. We find analytic criteria for maximizing the interconversion between propagating single-magnon modes and true propagating two-magnon states. The manipulation of bound and propagating magnons is an essential step towards quantum magnonics.

  20. Characterizing gapped phases of a 1D spin chain with on-site and spatial symmetries

    NASA Astrophysics Data System (ADS)

    West, Colin; Prakash, Abhishodh; Wei, Tzu-Chieh

    We investigate the phase diagram of a spin-1 chain whose Hamiltonian is invariant under translation, lattice inversion and a global A4 symmetry in the spin degrees of freedom. The classification scheme by Chen, Gu, and Wen allows us to enumerate all possible phases under the given symmetry. Then, we determine which of these phases actually occur in the two-parameter Hamiltonian. Using numerical methods proposed by Pollmann and Turner (2012) we determine the characteristic projective parameters for the Symmetry Protected Topological (SPT) phases. In addition, we present a method for determining the projective commutation parameter in these phases. The resulting phase diagram is rich and contains at least nine different SPT phases. This work was supported in part by the National Science Foundation.

  1. Two unprecedented 1D coordination polymer chains based on tetranuclear copper(II) building blocks

    SciTech Connect

    Li Gaijuan; Xing Yan Song Shuyan; Xu Ning; Liu Xianchun; Su Zhongmin

    2008-09-15

    The reaction of copper(II) sulfate with pyridine in DMF or methanol yield two unprecedented Cu(II) coordination polymers {l_brace}[Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}][{mu}-Cu(py)(DMF){sub 2}]{r_brace}{sub n}(1) and {l_brace}[Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}][{mu}-Cu(py){sub 4}]{r_brace}{sub n}(2), respectively. Single-crystal X-ray diffraction indicated that compound 1 crystallizes in the monoclinic system, space group p2(1)/n, a=14.542(5) A, b=16.359(5) A, c=18.951(5) A, {beta}=92.047(5){sup o}, V=4505(2) A{sup 3}, Z=4 while 2 is monoclinic C2/c, a=23.078(5) A, b=10.214(5) A, c=23.142(5) A, {beta}=115.471(5){sup o}, V=4925(3) A{sup 3}, Z=4. Both of the two compounds consist of tetrahedral tetranuclear [Cu{sub 4}({mu}{sub 4}-O)(py){sub 4}(SO{sub 4}){sub 4}] clusters that are bridged by pentacoordinated Cu atom for 1 or hexacoordinated Cu atoms for 2 through the sulfate oxygen to form the infinite one-dimensional polymer chains. - Graphical abstract: Two unprecedented Cu(II) coordination polymers have been prepared by using solvothermal method; they consist of tetrahedral tetranuclear clusters that are bridged by unique Cu(II) atom through the sulfate oxygen to form the infinite one-dimensional polymer chains (a) for complex 1 and (b) for complex 2.

  2. The role of solitons in charge and energy transfer in 1D molecular chains

    NASA Astrophysics Data System (ADS)

    Ivić , Zoran

    1998-03-01

    The idea that polarons and solitons could play the crucial role in the transport processes in biological structures, has been critically reexamined on the basis of the general theory of self-trapping phenomena. The criteria which enable one to determine conditions for the existence and stability of polarons and solitons and to determine their character, in dependence of the values of the basic physical parameters of the system, were formulated. Validity of the so-called Davydov's soliton model was discussed on the basis of these criteria. It was found that the original Davydov's proposal, based upon the idea of the soliton creation due to the single excitation (particle, vibron, etc.) self-trapping, cannot explain the intramolecular energy transfer in α-helix and acetanilide. However, Davydov theory is flexible enough to describe the single electron transfer in some systems (α-helix and acetanilide for example). In the many-particle systems, dressing effect, due to the quantum nature of phonons, may cause the creation of the bound states of the several excitons in the molecular chain. The possibility of creation of the soliton states of this type is discussed for the simple Fröhlich's one-dimensional model. The regions of the system parameter space where different mechanisms dominate the behaviour of such entities are characterized.

  3. Crystalline structures of polymeric hydrocarbon with 3,4-fold helical chains

    NASA Astrophysics Data System (ADS)

    Lian, Chao-Sheng; Li, Han-Dong; Wang, Jian-Tao

    2015-01-01

    Molecular hydrocarbons are well-known to polymerize under pressure to form covalently bonded frameworks. Here we predict by ab initio calculations two distinct three-dimensional hydrocarbon crystalline structures composed of 3-fold and 4-fold helical CH chains in rhombohedral () and tetragonal (I41/a) symmetry, respectively. Both structures with 1:1 stoichiometry are found to be energetically more favorable than solid acetylene and cubane, and even more stable than benzene II solid at high pressure. The calculations on vibrational, electronic, and optical properties reveal that the new chiral hydrocarbons are dynamically stable with large bulk moduli around 200 GPa, and exhibit a transparent insulating behavior with indirect band gaps of 5.9 ~ 6.7 eV and anisotropic adsorption spectra. Such forms of hydrocarbon, once synthesized, would have wide applications in mechanical, optoelectronic, and biological materials.

  4. Crystalline structures of polymeric hydrocarbon with 3,4-fold helical chains

    PubMed Central

    Lian, Chao-Sheng; Li, Han-Dong; Wang, Jian-Tao

    2015-01-01

    Molecular hydrocarbons are well-known to polymerize under pressure to form covalently bonded frameworks. Here we predict by ab initio calculations two distinct three-dimensional hydrocarbon crystalline structures composed of 3-fold and 4-fold helical CH chains in rhombohedral () and tetragonal (I41/a) symmetry, respectively. Both structures with 1:1 stoichiometry are found to be energetically more favorable than solid acetylene and cubane, and even more stable than benzene II solid at high pressure. The calculations on vibrational, electronic, and optical properties reveal that the new chiral hydrocarbons are dynamically stable with large bulk moduli around 200 GPa, and exhibit a transparent insulating behavior with indirect band gaps of 5.9 ~ 6.7 eV and anisotropic adsorption spectra. Such forms of hydrocarbon, once synthesized, would have wide applications in mechanical, optoelectronic, and biological materials. PMID:25579707

  5. A hierarchy of ``meson'' bound state excitations in the 1D ferromagnetic Ising chain CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher; Koopayeh, Seyed; Ghosh, Anirban; Tchernyshyov, Oleg; McQueen, Tyrel M.; Armitage, N. Peter; Valdés Aguilar, Rolando; Krizan, Jason; Cava, Robert J.

    2014-03-01

    The quantum magnet CoNb2O6 was recently demonstrated to be an excellent realization of the one-dimensional ferromagnetic Ising spin chain. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.[2] The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate these optically active spin flip excitations in CoNb2O6. A series of nine spin flip bound states is observed, whose energies can be modeled exceedingly well by the Airy function solutions to a 1D Schrödinger equation. Additionally, a novel bound state of excitations on neighboring chains is observed just below the onset of a two particle continuum. Work supported by The Institute of Quantum Matter under DOE grant DE-FG02-08ER46544 and by the Gordon and Betty Moore Foundation through Grant GBMF2628.

  6. Two-step spin transition in a 1D Fe(II) 1,2,4-triazole chain compound.

    PubMed

    Dîrtu, Marinela M; Schmit, France; Naik, Anil D; Rusu, Ionela; Rotaru, Aurelian; Rackwitz, Sergej; Wolny, Juliusz A; Schünemann, Volker; Spinu, Leonard; Garcia, Yann

    2015-04-01

    A thermochromic 1D spin crossover coordination (SCO) polymer [Fe(βAlatrz)3](BF4)2⋅2 H2O (1⋅2 H2O), whose precursor βAlatrz, (1,2,4-triazol-4-yl-propionate) has been tailored from a β-amino acid ester is investigated in detail by a set of superconducting quantum interference device (SQUID), (57)Fe Mössbauer, differential scanning calorimetry, infrared, and Raman measurements. An hysteretic abrupt two-step spin crossover (T1/2(↓) = 230 K and T1/2(↑) = 235 K, and T1/2(↓) = 172 K and T1/2(↑) = 188 K, respectively) is registered for the first time for a 1,2,4-triazole-based Fe(II) 1D coordination polymer. The two-step SCO configuration is observed in a 1:2 ratio of low-spin/high-spin in the intermediate phase for a 1D chain. The origin of the stepwise transition was attributed to a distribution of chains of different lengths in 1⋅2 H2O after First Order Reversal Curves (FORC) analyses. A detailed DFT analysis allowed us to propose the normal mode assignment of the Raman peaks in the low-spin and high-spin states of 1⋅2 H2O. Vibrational spectra of 1⋅2 H2O reveal that the BF4(-) anions and water molecules play no significant role on the vibrational properties of the [Fe(βAlatrz)3](2+) polymeric chains, although non-coordinated water molecules have a dramatic influence on the emergence of a step in the spin transition curve. The dehydrated material [Fe(βAlatrz)3](BF4)2 (1) reveals indeed a significantly different magnetic behavior with a one-step SCO which was also investigated. PMID:25736846

  7. Synthesis, structure, and electrochemistry and magnetic properties of a novel 1D homochiral MnIII(5-Brsalen) coordination polymer with left-handed helical character

    NASA Astrophysics Data System (ADS)

    Dong, Dapeng; Yu, Naisen; Zhao, Haiyan; Liu, Dedi; Liu, Jia; Li, Zhenghua; Liu, Dongping

    2016-01-01

    A novel homochiral manganese (III) Mn(5-Brsalen) coordination polymer with left-handed helical character by spontaneous resolution on crystallization by using Mn(5-Brsalen) and 4,4-bipyridine, [MnIII(5-Brsalen)(4,4-bipy)]·ClO4·CH3OH (1) (4,4-bipy = 4,4-bipyridine) has been synthesized and structurally characterized by X-ray single-crystal diffraction, elemental analysis and infrared spectroscopy. In compound 1, each manganese(III) anion is six-coordinate octahedral being bonded to four atoms of 5-Brsalen ligand in an equatorial plane and two nitrogen atoms from a 4,4-bipyridine ligand in axial positions. The structure of compound 1 can be described a supramolecular 2D-like structure which was formed by the intermolecular π-stacking interactions between the neighboring chains of the aromatic rings of 4,4-bipyridine and 5-Brsalen molecules. UV-vis absorption spectrum, electrochemistry and magnetic properties of the compound 1 have also been studied.

  8. Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties

    SciTech Connect

    Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong

    2014-08-15

    Using the solvothermal method, we present the comparative preparation of ([Co{sub 3}Na(dmaep){sub 3}(ehbd)(N{sub 3}){sub 3}]·DMF){sub n} (1) and [Co{sub 2}Na{sub 2}(hmbd){sub 4}(N{sub 3}){sub 2}(DMF){sub 2}] (2), where Hehbd is 3-ethoxy-2-hydroxy-benzaldehyde, Hhmbd is 3-methoxy-2-hydroxy-benzaldehyde, and Hdmaep is 2-dimethylaminomethyl-6-ethoxy-phenol, which was synthesized by an in-situ reaction. Complexes 1 and 2 were characterized by elemental analysis, IR spectroscopy, and X-ray single-crystal diffraction. Complex 1 is a novel heterometallic cluster-based 1-D chain and 2 is a heterometallic tetranuclear cluster. The (Co{sub 3}{sup II}Na) and (Co{sub 2}{sup II}Na{sub 2}) cores display dominant ferromagnetic interaction from the nature of the binding modes through μ{sub 1,1,1}-N{sub 3}{sup –} (end-on, EO). - Graphical abstract: Two novel cobalt complexes have been prepared. Compound 1 consists of tetranuclear (Co{sub 3}{sup II}Na) units, which further formed a 1-D chain. Compound 2 is heterometallic tetranuclear cluster. Two complexes display dominant ferromagnetic interaction. - Highlights: • Two new heterometallic complexes have been synthesized by solvothermal method. • The stereospecific blockade of the ligands in the synthesis system seems to be the most important synthetic parameter. • The magnetism studies show that 1 and 2 exhibit ferromagnetic interactions. • Complex 1 shows slowing down of magnetization and not blocking of magnetization.

  9. New Mononuclear Cu(II) Complexes and 1D Chains with 4-Amino-4H-1,2,4-triazole

    PubMed Central

    Dîrtu, Marinela M.; Boland, Yves; Gillard, Damien; Tinant, Bernard; Robeyns, Koen; Safin, Damir A.; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann

    2013-01-01

    The crystal structures of two mononuclear Cu(II) NH2trz complexes [Cu(NH2trz)4(H2O)](AsF6)2 (I) and [Cu(NH2trz)4(H2O)](PF6)2 (II) as well as two coordination polymers [Cu(μ2-NH2trz)2Cl]Cl·H2O (III) and [Cu(μ2-NH2trz)2Cl] (SiF6)0.5·1.5H2O (IV) are presented. Cationic 1D chains with bridging bis-monodentate μ2-coordinated NH2trz and bridging μ2-coordinated chloride ligands are present in III and IV. In these coordination polymers, the Cu(II) ions are strongly antiferromagnetically coupled with J = −128.4 cm−1 for III and J = −143 cm−1 for IV (H = −J∑SiSi+1), due to the nature of the bridges between spin centers. Inter-chain interactions present in the crystal structures were taken into consideration, as well as g factors, which were determined experimentally, for the quantitative modeling of their magnetic properties. PMID:24300095

  10. Single-Crystal-to-Single-Crystal Transformations in One Dimensional Ag-Eu Helical System

    SciTech Connect

    Cai, Yue-Peng; Zhout, Xiu-Xia; Zhout, Zheng-Yuan; Zhu, Shi-Zheng; Thallapally, Praveen K.; Liu, Jun

    2009-07-06

    Single-crystal-to-single-crystal transformation of 1-D 4d-4f coordination polymers have been investigated for the first time. It displays high selectivity for Mg2+ and can be used as magnesium ion-selective luminescent probe. More importantly, we observed the transformation of meso-helical chain to rac-helical chain as a function of temperature.

  11. New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type π-Conjugation

    PubMed Central

    Wang, Jian-Tao; Chen, Changfeng; Kawazoe, Yoshiyuki

    2013-01-01

    We here identify by ab initio calculations two distinct three-dimensional three-connected (3D3C) chiral framework structures of carbon in and I41/amd symmetry, respectively, which comprise 3-fold and 4-fold helical chains with complementary chirality. The helical carbon chains are connected by an ethene-type planar π-conjugation, and the resulting structures contain a network of sp2 carbon bonds with one-third being double bonds between the chains and two-thirds single bonds along the chains. Phonon and electronic band structure calculations show that these chiral carbene structures are dynamically stable and exhibit a large band gap (2.4 ~ 2.9 eV). This semiconducting nature reflects a key distinction from previously proposed metallic isomers of helical or zigzag carbon chains with twisted π states that are dynamically unstable. The present results solve the long-sought 3D3C all-sp2 carbon structures and may help design other covalent bonding networks. PMID:24165546

  12. Self-assembly of three new coordination complexes: Formation of 2-D square grid, 1-D chain and tape structures

    NASA Astrophysics Data System (ADS)

    Indrani, Murugan; Ramasubramanian, Ramasamy; Fronczek, Frank R.; Vasanthacharya, N. Y.; Kumaresan, Sudalaiandi

    2009-08-01

    Three distinct coordination complexes, viz., [Co(imi) 2(tmb) 2] ( 1) [where imi = imidazole], {[Ni(tmb) 2(H 2O) 3]·2H 2O} n ( 2) and [Cu 2(μ-tmb) 4(CH 3OH) 2] ( 3), have been synthesized hydrothermally by the reactions of metal acetates, 2,4,6-trimethylbenzoic acid (Htmb) and with or without appropriate amine. The Ni analogue of 1 and the Co analogue of 2 have also been synthesized. X-ray single-crystal diffraction suggests that complex 1 represents discrete mononuclear species and complex 2 represents a 1D chain coordination polymer in which the Ni(II) ions are connected by the bridging water molecules. Complex 3 represents a neutral dinuclear complex. In 1, the central metal ions are associated by the carboxylate moiety and imidazole ligands, whereas the central metal atom is coordinated to the carboxylate moiety and the respective solvent molecules in 2 and 3. In 3, the four 2,4,6-trimethylbenzoate moieties act as a bridge connecting two copper (II) ions and the O atoms of methanol coordinate in an anti arrangement to form a square pyramidal geometry, with the methanol molecule at the apical position. In all the three structures the central metal atom sits on a crystallographic inversion centre. In all the cases, the coordination entities are further organized via hydrogen bonding interactions to generate multifarious supramolecular networks. Complexes 1, 2 and 3 have also been characterized by spectroscopic (UV/Vis and IR) and thermal analysis (TGA). In addition, the complexes were found to exhibit antimicrobial activity.The magnetic susceptibility measurements, measured from 8 to 300 K, revealed antiferromagnetic interactions between the Co(II) ions in compound 1 and the Ni(II) ions in 1a, respectively.

  13. Structural Origins of Nitroxide Side Chain Dynamics on Membrane Protein [alpha]-Helical Sites

    SciTech Connect

    Kroncke, Brett M.; Horanyi, Peter S.; Columbus, Linda

    2010-12-07

    Understanding the structure and dynamics of membrane proteins in their native, hydrophobic environment is important to understanding how these proteins function. EPR spectroscopy in combination with site-directed spin labeling (SDSL) can measure dynamics and structure of membrane proteins in their native lipid environment; however, until now the dynamics measured have been qualitative due to limited knowledge of the nitroxide spin label's intramolecular motion in the hydrophobic environment. Although several studies have elucidated the structural origins of EPR line shapes of water-soluble proteins, EPR spectra of nitroxide spin-labeled proteins in detergents or lipids have characteristic differences from their water-soluble counterparts, suggesting significant differences in the underlying molecular motion of the spin label between the two environments. To elucidate these differences, membrane-exposed {alpha}-helical sites of the leucine transporter, LeuT, from Aquifex aeolicus, were investigated using X-ray crystallography, mutational analysis, nitroxide side chain derivatives, and spectral simulations in order to obtain a motional model of the nitroxide. For each crystal structure, the nitroxide ring of a disulfide-linked spin label side chain (R1) is resolved and makes contacts with hydrophobic residues on the protein surface. The spin label at site I204 on LeuT makes a nontraditional hydrogen bond with the ortho-hydrogen on its nearest neighbor F208, whereas the spin label at site F177 makes multiple van der Waals contacts with a hydrophobic pocket formed with an adjacent helix. These results coupled with the spectral effect of mutating the i {+-} 3, 4 residues suggest that the spin label has a greater affinity for its local protein environment in the low dielectric than on a water-soluble protein surface. The simulations of the EPR spectra presented here suggest the spin label oscillates about the terminal bond nearest the ring while maintaining weak contact

  14. The synthesis and structure of a chiral 1D aluminophosphate chain compound: d-Co(en) 3[AlP 2O 8]·6.5H 2O

    NASA Astrophysics Data System (ADS)

    Chen, Peng; Li, Jiyang; Yu, Jihong; Wang, Yu; Pan, Qinhe; Xu, Ruren

    2005-06-01

    A new chiral one-dimensional (1D) aluminophosphate chain compound [ d-Co(en) 3][AlP 2O 8]·6.5H 2O (designated AlPO-CJ22) has been hydrothermally synthesized by using the optically pure d-Co(en) 3I 3 complex as the template. Single-crystal structural analysis reveals that its structure is built up from alternating connection of AlO 4 and PO 2(=O 2) tetrahedra to form corner-shared Al 2P 2 four-membered ring (4-MR) chains. The d-Co(en) 33+ complex cations extended along the 2 1 screw axis interact with the inorganic chains through hydrogen-bonds of N⋯O atoms in a helical fashion. Optical rotation measurement shows that AlPO-CJ22 is chiral as with d-Co(en) 33+ complex cations. Crystal data: orthorhombic, I2 12 12 1, a=8.5573(8) Å, b=22.613(2) Å, c=22.605(2) Å, Z=8, R1=0.067, wR2=0.1291, and Flack parameter: -0.02(3). CCDC number: 254179.

  15. Topological degeneracy (Majorana zero-mode) and 1 + 1D fermionic topological order in a magnetic chain on superconductor via spontaneous Z₂(f) symmetry breaking.

    PubMed

    Klassen, Joel; Wen, Xiao-Gang

    2015-10-14

    We study a chain of ferromagnetic sites, ie nano-particles, molecules or atoms, on a substrate of fully gapped superconductors. We find that under quite realistic conditions, the fermion-number-parity symmetry Z₂(f) can spontaneously break. In other words, such a chain can realize a 1  +  1D fermionic topologically ordered state and the corresponding two-fold topological degeneracy on an open chain. Such a topological degeneracy becomes the so called Majorana zero mode in the non-interacting limit. PMID:26401725

  16. Accordion-like oscillation of contracted and stretched helices of polyacetylenes synchronized with the restricted rotation of side chains.

    PubMed

    Yoshida, Yoshiaki; Mawatari, Yasuteru; Motoshige, Asahi; Motoshige, Ranko; Hiraoki, Toshifumi; Wagner, Manfred; Müllen, Klaus; Tabata, Masayoshi

    2013-03-13

    A chiral substituted acetylene, (s)-2-octyl propiolate, was stereoregularly polymerized using a catalyst, [Rh(nbd)Cl]2, at 40 °C in methanol to give the corresponding helical polymer, Ps2OcP. The changes of (1)H and (13)C NMR spectra in line shapes and splitting patterns were consistently interpreted in terms of restricted rotation around the ester O-*C bond, ~O-*C(ε)H(ε)(R)~, R = a branched CH(ε)3 in the ester side chains rather than the helix inversion with the aid of a 3-site jump model. Three peaks due to the branched methyl H(ε) proton and its C(η) carbon observed at 0 °C suggested the formation of three rotamers called A, B, and C, based on the presence of the contracted helix and stretched helix forms that have an intrinsic helical pitch. Furthermore, an accordion-like helix oscillation (HELIOS) along the main chain axis was proposed to explain the temperature dependence spectral changes observed in (1)H and (13)C NMR, UV-vis, and circular dicromism (CD) spectra. The temperature dependence UV-vis and CD spectra of Ps2OcP corroborate the presence of contracted and stretched one-handed helix sense polymers in solution in which the helical pitches and their persistence lengths depend on the temperature. PMID:23402213

  17. Self-assembly of spherical colloids into helical chains with well-controlled handedness.

    PubMed

    Yin, Yadong; Xia, Younan

    2003-02-26

    Physical constraint and capillary force have been combined to provide a generic approach to assemble achiral building blocks such as monodisperse spherical colloids into helical mesostructures. The key component of this process is an array of V-shaped grooves anisotropically etched in the surface of a Si(100) wafer. The structural arrangement among the spherical colloids is determined by the ratio between the width of the V-grooves and the diameter of the colloids. Double-layered structures with a helical morphology will be formed when this ratio falls between 2.70 and 2.85. The exact handedness of these helical structures could be controlled by varying the relative orientation of capillary force with respect to the longitudinal axis of the spirals. The processing of an achiral material into helical mesostructures having well-controlled handedness should allow us to explore new properties that this material otherwise does not exhibit. The self-assembly process may also provide valuable insights to improve our understanding on the mechanism(s) by which pure enantiomers with a particular sense of rotation evolved in nature. PMID:12590523

  18. A New Carbon Allotrope with Six-Fold Helical Chains in all-sp2 Bonding Networks

    PubMed Central

    Wang, Jian-Tao; Chen, Changfeng; Wang, Enge; Kawazoe, Yoshiyuki

    2014-01-01

    Using a recently developed approach to constructing covalent network structures from linear carbyne, we identify by ab initio calculations a new carbon allotrope in () symmetry that comprises six-fold helical chains with alternating sp2-type single and double bonds along the chains that are connected via zigzag benzene rings. This 6-fold carbene is characterized as a three-dimensional three-connected chiral crystalline modification of graphite. Phonon and electronic band calculations indicate that this new structure is dynamically stable and is a semiconductor with a band gap of 0.47 eV, in contrast to the semimetallic nature of graphite. Simulated x-ray diffraction patterns of the 6-fold carbene provide an excellent match to the previously unexplained distinct diffraction peak of a new carbon allotrope found in recent detonation experiments. These results establish a new carbon phase and offer insights into its outstanding structural and electronic properties. PMID:24614093

  19. Structural and Magnetic Behavior of a Quasi-1D Antiferromagnetic Chain Compound Cu(NCS)(2)(PYZ)

    SciTech Connect

    Bordallo, H. N.; Chapon, L. C.; Manson, Jamie L; Qualls, J. S.; Hall, D.; Argyriou, D. N.

    2003-01-01

    Synchrotron X-ray diffraction (XRD) and neutron powder diffraction (NPD) were used to determine the structure of Cu(NCS){sub 2}(pyz) (pyz=pyrazine=C{sub 4}N{sub 2}H{sub 4}), which consists of a stacking of Cu-pyz-Cu chains. While NPD measurements showed no evidence of long-range magnetic ordering, the temperature dependence of the magnetic susceptibility and magnetization suggests that the system can be adequately described on the local scale as a spin-1/2 antiferromagnet (AFM) chain with an intrachain exchange interaction J/k{sub B} = -8 K ({approx}0.7 meV). Comparison of isothermal magnetization data acquired up to 30 T at 1.6 K to a linear chain model shows excellent agreement, making this material a nearly ideal example of an isotropic Heisenberg AFM chain.

  20. Co-assembly of Zn(SPh){sub 2} and organic linkers into helical and zig-zag polymer chains

    SciTech Connect

    Liu Yi; Yu Lingmin; Loo, Say Chye Joachim; Blair, Richard G.; Zhang Qichun

    2012-07-15

    Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (EG=ethylene glycol) (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized under solvothermal conditions at 150 Degree-Sign C or room temperature by the co-assembly of Zn(SPh){sub 2} and organic linkers such as 2,4,6-tri(4-pyridyl)-1,3,5-triazine (TPyTA) and 1,3-bis(trans-4-pyridylvinyl)benzene (BPyVB). X-ray crystallography study reveals that both polymers 1 and 2 crystallize in space group P2{sub 1}/c of the monoclinic system. The solid-state UV-vis absorption spectra show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. - Graphical abstract: Two novel one-dimensional coordination polymers, single helicate [Zn(SPh){sub 2}(TPyTA)(EG)]{sub n} (1) and zig-zag structure [Zn(SPh){sub 2}(BPyVB)]{sub n} (2), were synthesized. Solid-state UV-vis absorptions show that 1 and 2 have maxium absorption onsets at 400 nm and 420 nm, respectively. TGA analysis indicates that 1 and 2 are stable up to 110 Degree-Sign C and 210 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Two novel one-dimensional coordination polymers have been synthesized. Black-Right-Pointing-Pointer TPyTA results in helical structures in 1 while BPyVB leads to zig-zag chains in 2. Black-Right-Pointing-Pointer Solid-state UV-vis absorption spectra and TGA analysis of the title polymers were studied.

  1. Thermally triggered reversible transformation between parallel staggered stacking and plywood-like stacking of 1D coordination polymer chains.

    PubMed

    Sun, Jian-Ke; Jin, Xu-Hui; Chen, Chao; Zhang, Jie

    2010-08-01

    An unusual example showing reversible interconversion of chain-like isomers under controlled experimental settings is reported, which illustrates the key role of assembly conditions for the target packing architecture with related properties. The reaction of Mn(II) ions with an organic ligand 2-hydroxypyrimidine-4,6-dicarboxylic acid (H(3)hpdc) at room temperature gives a coordination polymer {[Mn(3)(hpdc)(2)(H(2)O)(6)] x 2 H(2)O}(n) containing parallel staggered stacking, whereas the reaction under hydrothermal conditions at 150 degrees C affords a compound {[Mn(3)(hpdc)(2)(H(2)O)(6)] x H(2)O}(n) possessing plywood-like stacking. Interestingly, two compounds contain similar one-dimensional chain components with different orientations that can be controlled by thermodynamic factors. Thermally triggered reversible interconversion of the two compounds was verified by X-ray powder, IR, and element analysis. The spin-canted antiferromagnetic behaviors are observed in as-synthesized samples, and the influence of chain orientations on magnetic properties has been detected. PMID:20608747

  2. Effects of the size of aromatic chelate ligands and d 10 metal ions on the structures of dicarboxylate complexes: From dinuclear molecule to helical chains and 2D network

    NASA Astrophysics Data System (ADS)

    Han, Zhong-Xi; Wang, Ji-Jiang; Hu, Huai-Ming; Chen, Xiao-Li; Wu, Qing-Ran; Li, Dong-Sheng; Shi, Qi-Zhen

    2008-11-01

    Four new mixed-ligand complexes, namely [Zn 2(pam) 2(2,2'-bpy) 2] ( 1), [Cd(pam)(2,2'-bpy) 2] n ( 2), [Zn(pam)(phen)] n ( 3) and [Cd (pam)(phen)] n · 0.5 n CH 3CH 2OH · 0.5 nH 2O ( 4) (H 2pam = pamoic acid, 2,2'-bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) have been synthesized under hydro(solvo)thermal conditions. Complex 1 possesses a discrete dinuclear metallamacrocyclic structure. Complex 2 is a 1D homochiral helical coordination polymer that is built from achiral components, whereas 3 displays a 1D helical chain structure. 4 is an unusual 2D double-layered structure generated by π ⋯ π interactions of two 2D networks. The structural differences of these complexes are mainly due to the differences of the size of the rigid aromatic chelate ligands and d 10 metal ions. It appears that the chelate ligands and metal ions of the larger size favor the formation of high-dimensional structures, whereas those of the smaller size favor the formation of low-dimensional structures in the present system. The photoluminescence and thermal stability of these complexes were investigated.

  3. Quantification of transition dipole strengths using 1D and 2D spectroscopy for the identification of molecular structures via exciton delocalization: Application to α-helices

    PubMed Central

    Grechko, Maksim; Zanni, Martin T.

    2012-01-01

    Vibrational and electronic transition dipole strengths are often good probes of molecular structures, especially in excitonically coupled systems of chromophores. One cannot determine transition dipole strengths using linear spectroscopy unless the concentration is known, which in many cases it is not. In this paper, we report a simple method for measuring transition dipole moments from linear absorption and 2D IR spectra that does not require knowledge of concentrations. Our method is tested on several model compounds and applied to the amide I′ band of a polypeptide in its random coil and α-helical conformation as modulated by the solution temperature. It is often difficult to confidently assign polypeptide and protein secondary structures to random coil or α-helix by linear spectroscopy alone, because they absorb in the same frequency range. We find that the transition dipole strength of the random coil state is 0.12 ± 0.013 D2, which is similar to a single peptide unit, indicating that the vibrational mode of random coil is localized on a single peptide unit. In an α-helix, the lower bound of transition dipole strength is 0.26 ± 0.03 D2. When taking into account the angle of the amide I′ transition dipole vector with respect to the helix axis, our measurements indicate that the amide I′ vibrational mode is delocalized across a minimum of 3.5 residues in an α-helix. Thus, one can confidently assign secondary structure based on exciton delocalization through its effect on the transition dipole strength. Our method will be especially useful for kinetically evolving systems, systems with overlapping molecular conformations, and other situations in which concentrations are difficult to determine. PMID:23163364

  4. Quantification of transition dipole strengths using 1D and 2D spectroscopy for the identification of molecular structures via exciton delocalization: Application to α-helices

    NASA Astrophysics Data System (ADS)

    Grechko, Maksim; Zanni, Martin T.

    2012-11-01

    Vibrational and electronic transition dipole strengths are often good probes of molecular structures, especially in excitonically coupled systems of chromophores. One cannot determine transition dipole strengths using linear spectroscopy unless the concentration is known, which in many cases it is not. In this paper, we report a simple method for measuring transition dipole moments from linear absorption and 2D IR spectra that does not require knowledge of concentrations. Our method is tested on several model compounds and applied to the amide I' band of a polypeptide in its random coil and α-helical conformation as modulated by the solution temperature. It is often difficult to confidently assign polypeptide and protein secondary structures to random coil or α-helix by linear spectroscopy alone, because they absorb in the same frequency range. We find that the transition dipole strength of the random coil state is 0.12 ± 0.013 D2, which is similar to a single peptide unit, indicating that the vibrational mode of random coil is localized on a single peptide unit. In an α-helix, the lower bound of transition dipole strength is 0.26 ± 0.03 D2. When taking into account the angle of the amide I' transition dipole vector with respect to the helix axis, our measurements indicate that the amide I' vibrational mode is delocalized across a minimum of 3.5 residues in an α-helix. Thus, one can confidently assign secondary structure based on exciton delocalization through its effect on the transition dipole strength. Our method will be especially useful for kinetically evolving systems, systems with overlapping molecular conformations, and other situations in which concentrations are difficult to determine.

  5. Mössbauer spectroscopy monitoring the spin transition of a FeII 1D chain with a fluorinated 4-R-1,2,4-triazole

    NASA Astrophysics Data System (ADS)

    Railliet, Antoine P.; Naik, Anil D.; Rotaru, Aurelian; Garcia, Yann

    2014-04-01

    The spin transition properties of [Fe(fletrz)3](BF4)2•2H2O are described. Fletrz (4-(2'-fluoroethyl)-4H-1,2,4-triazole) is a novel fluorine substituted 1,2,4-triazole ligand which forms 1D chain upon self-assembly with FeII ions. This coordination polymer exhibits reversible abrupt thermochromic spin transition that has been probed by SQUID magnetometry, variable temperature 57Fe Mossbauer spectroscopy (77-300 K) and differential scanning calorimetry (100-300 K).

  6. Supramolecular open-framework based on 1-D iron phosphate-diphosphate chains assembled through hydrogen bonding

    SciTech Connect

    Salvado, Miguel A.; Pertierra, Pilar; Trobajo, Camino; Garcia, Jose R.

    2008-05-15

    Fe(H{sub 2}PO{sub 4})(H{sub 2}P{sub 2}O{sub 7}).C{sub 5}H{sub 5}N, a new iron(III) phosphate with an open-framework has been synthesized hydrothermally using pyridine as organic template. The crystal structure was solved ab initio using conventional powder X-ray diffraction data. The unit cell is orthorhombic, a=9.5075(2), b=10.1079(1), c=13.3195(2) A, space group P2{sub 1}2{sub 1}2{sub 1}, Z=4. The structure consists of FeO{sub 6} octahedra joined by H{sub 2}PO{sub 4} and H{sub 2}P{sub 2}O{sub 7} groups forming linear chains interconnected by hydrogen bonding to give rise to a supramolecular framework enclosing tunnels in which the pyridine molecules reside. - Graphical abstract: The low temperature hydrothermal synthesis offers many possibilities in the preparation of new materials with mixed octahedral-tetrahedral open-frameworks. Fe(H{sub 2}PO{sub 4})(H{sub 2}P{sub 2}O{sub 7}).C{sub 5}H{sub 5}N is constituted by linear chains of FeO{sub 6} octahedra joined through of both dihydrogenphosphate and dihydrogendiphosphate bridges, interconnected by hydrogen bonds, originating channels where the pyridine molecules are located.

  7. A new carbon allotrope with six-fold helical chains in all-sp2 bonding networks.

    PubMed

    Wang, Jian-Tao; Chen, Changfeng; Wang, Enge; Kawazoe, Yoshiyuki

    2014-01-01

    Using a recently developed approach to constructing covalent network structures from linear carbyne, we identify by ab initio calculations a new carbon allotrope in R3m (D(3d)(5) symmetry that comprises six-fold helical chains with alternating sp(2)-type single and double bonds along the chains that are connected via zigzag benzene rings. This 6-fold carbene is characterized as a three-dimensional three-connected chiral crystalline modification of graphite. Phonon and electronic band calculations indicate that this new structure is dynamically stable and is a semiconductor with a band gap of 0.47 eV, in contrast to the semimetallic nature of graphite. Simulated x-ray diffraction patterns of the 6-fold carbene provide an excellent match to the previously unexplained distinct diffraction peak of a new carbon allotrope found in recent detonation experiments. These results establish a new carbon phase and offer insights into its outstanding structural and electronic properties. PMID:24614093

  8. Synthesis and characterization of a 1D chain-like Cu{sub 6} substituted sandwich-type phosphotungstate with pendant dinuclear Cu–azido complexes

    SciTech Connect

    Li, Yan-Ying; Zhao, Jun-Wei; Wei, Qi; Yang, Bai-Feng; Yang, Guo-Yu

    2014-02-15

    A novel Cu–azido complex modified hexa-Cu{sup II} substituted sandwich-type phosphotungstate [Cu(en){sub 2}]([Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}])·6H{sub 2}O (1) (en=ethylene-diamine) has been prepared under hydrothermal conditions and structurally characterized by elemental analyses, IR spectra, powder X-ray diffraction (PXRD) and single-crystal X-ray diffraction. 1 displays a beautiful 1-D chain architecture constructed from sandwich-type [Cu{sub 2}(en){sub 2}(μ-1,1-N{sub 3}){sub 2}(H{sub 2}O)]{sub 2}[Cu{sub 6}(en){sub 2}(H{sub 2}O){sub 2}(B-α-PW{sub 9}O{sub 34}){sub 2}]{sup 2−} units and [Cu(en){sub 2}]{sup 2+} linkers. To our knowledge, 1 represents the first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes. - Graphical abstract: The first hexa-Cu{sup II} sandwiched phosphotungstate with supporting Cu–azido complexes has been prepared and characterized. Display Omitted - Highlights: • Hexa-copper-substituted phosphotungstate. • Cu–azido complexes modified hexa-Cu{sup II} substituted sandwich-type polyoxometalate. • 1-D chain architecture built by hexa-copper-substituted polyoxotungstate units.

  9. The effect of side-chain functionality and hydrophobicity on the gene delivery capabilities of cationic helical polypeptides.

    PubMed

    Zhang, Rujing; Zheng, Nan; Song, Ziyuan; Yin, Lichen; Cheng, Jianjun

    2014-03-01

    The rational design of effective and safe non-viral gene vectors is largely dependent on the understanding of the structure-property relationship. We herein report the design of a new series of cationic, α-helical polypeptides with different side charged groups (amine and guanidine) and hydrophobicity, and mechanistically unraveled the effect of polypeptide structure on the gene delivery capability. Guanidine-containing polypeptides displayed superior membrane activities to their amine-containing analogues via the pore formation mechanism, and thus possessed notably higher transfection efficiencies. Elongating the hydrophobic side chain also potentiated the membrane activities of the polypeptides, while at the meantime caused higher cytotoxicities. Upon an optimal balance between membrane activity and cytotoxicity, maximal transfection efficiency was achieved which outperformed commercial reagent Lipofectamine™ 2000 (LPF2000) by 3-6 folds. This study thus provides mechanistic insights into the rational design of non-viral gene delivery vectors, and the best-performing materials identified also serve as a promising addition to the existing systems. PMID:24439403

  10. A Series of Lanthanide Metal-Organic Frameworks with Interesting Adjustable Photoluminescence Constructed by Helical Chains.

    PubMed

    Liu, Ying; Zhang, Yu; Hu, Gong Hao; Zhou, Shuai; Fan, Ruiqing; Yang, Yulin; Xu, Yan

    2015-07-13

    Based on the isonicotinic acid (HIN=pyridine-4-carboxylic acid), seven lanthanide metal-organic frameworks (MOFs) with the formula [Ln(IN)2 L] (Ln=Eu (1), Tb (2), Er (3), Dy (4), Ho (5), Gd (6), La (7), L=OCH2 CH2 OH) have been synthesized by mixing Ln2 O3 with HIN under solvothermal conditions, and characterized by single-crystal X-ray diffraction, powder X-ray diffraction, infrared spectroscopy, and fluorescence spectroscopy. Crystal structural analysis shows that compounds 1-6 are isostructural, crystallize in a chiral space group P21 21 21 , whereas compound 7 crystallizes in space group C2/c. Nevertheless, they all consist of new intertwined chains. Simultaneously, on the basis of the above-mentioned compounds, we have realized a rational design strategy to form the doped Ln MOFs [(Eux Tb1-x )(IN)2 L] (x=0.35 (8), x=0.19 (9), x=0.06 (10)) by utilizing Tb(III) as the second "rare-earth metal". Interestingly, the photoluminescence of [(Eux Tb1-x )(IN)2 L] are not only adjustable by the ratios of Eu/Tb, but also temperature or excitation wavelength. PMID:26042654

  11. Magnetic and optical properties in the 1D TM-O chain compounds Sr2TMO3 (TM = Ni, Co): A first-principle investigation

    NASA Astrophysics Data System (ADS)

    Gui, Hong; Li, Xin; Zhao, Zhenjie; Xie, Wenhui

    2016-03-01

    In this paper, we have calculated the structural, electronic, magnetic and optical properties of Sr2NiO3 and Sr2CoO3 using density functional theory (DFT) within generalized gradient approximation (GGA). The crystal structure of both materials is well described with Immm (No. 71) symmetry which are isostructural with Sr2CuO3 and both are quasi-one-dimensional (1D) rectangular lattice G-type antiferromagnets, in consistent with the experimental data. Due to a distortion, Sr2CoO3 lifts the near-degeneracy dxz and dyz states of the local Co electronic configuration, which demonstrates a strong coupling between the structural lattice and the electronic configuration. The calculated band structure shows a band gap of 1.376 eV for Sr2NiO3 and a band gap of 1.735 eV for Sr2CoO3. Ni and Co ions are in the high-spin S = 1 and S = 3/2 configurations with the magnetic moments of 1.585 μB and 2.587 μB, respectively. Based on the Heisenberg Hamiltonian model, we conclude that the superexchange intrachain TM-O-TM superexchange interaction is predominant and interaction between the 1D chains is weak. According to the calculated dielectric function, absorption spectrum and electron energy loss spectrum, the optical responses suggest that Sr2NiO3 shows the unique anisotropic structure and interaction of the application in optoelectronics.

  12. Synthesis, structure and characterization of 4,4‧-bipyridine directed isolated cluster and 1D chain of iron sulfates

    NASA Astrophysics Data System (ADS)

    Xu, Zhiwei; Fu, Yunlong; Zhang, Yu

    2008-03-01

    Two 4,4'-bipyridine directed iron sulfates have been synthesized and characterized by single-crystal X-ray diffraction, infrared spectrum, powder X-ray diffraction, CHN elemental analysis, thermal gravimetric analysis and magnetic analysis. [C 10N 2H 10] 2[Fe 4O 2(SO 4) 6(H 2O) 4]·6H 2O, I, and [C 10N 2H 10][Fe(SO 4) 2(OH)]·H 2O, II, both crystallize in triclinic space group P (No. 2). Crystal data: for I, a = 9.2064(8) Å, b = 11.5548(11) Å, c = 11.8130(11) Å, α = 117.3070(10)°, β = 94.650(2)°, γ = 96.493(2)°, V = 1096.79(17) Å 3, Z = 1; for II, a = 7.0382(9) Å, b = 9.0625(12) Å, c = 11.8903(16) Å, α = 100.145(3)°, β = 98.701(2)°, γ = 91.047(3)°, V = 737.17(17) Å 3, Z = 2. Compound I exhibits a rare discrete sulfated tetra-nuclear iron oxo cluster with a butterfly-type arrangement, and II possesses 1D tancoite-type chains. Magnetic properties analysis of I reveals a transformation from ferromagnetism to antiferromagnetism at about 14 K.

  13. Self-assembly of silver(I) coordination polymers from aminopyrimidyl derivatives and malonate acid: From 1D chain to 2D layer

    NASA Astrophysics Data System (ADS)

    Sun, Di; Zhang, Na; Xu, Qin-Juan; Luo, Geng-Geng; Huang, Rong-Bin; Zheng, Lan-Sun

    2010-04-01

    Two new silver(I) coordination polymers (CPs) of the formula [Ag 2(dmapym) 4(mal)·H 2O] n ( 1) and [Ag 3(apym) 3(mal)NO 3] n ( 2) (dmapym = 2-amino-4,6-dimethylprimidine, apym = 2-aminopyrimidine, H 2mal = malonate) have been synthesized by reactions of AgNO 3 and 2-aminopyrimidyl ligands with malonate under the ammoniacal condition. Both complexes have been characterized by element analysis, IR and single-crystal X-ray diffraction. The monodentate dmapym and tridentate mal ligands link Ag(I) ions to give complex 1 a one-dimensional (1D) H-shaped chain structure. The complex 2 is a two-dimensional (2D) double sheet structure constructed by (4, 4) single sheet. Additionally, the hydrogen-bonding and C-H⋯π interactions also direct the self-assembly of supramolecular architectures. The photoluminescence properties of the 1 and 2 were investigated in the solid state at room temperature.

  14. Complete primary structure of the triple-helical region and the carboxyl-terminal domain of a new type IV collagen chain, alpha 5(IV).

    PubMed

    Pihlajaniemi, T; Pohjolainen, E R; Myers, J C

    1990-08-15

    We have isolated and characterized overlapping cDNA clones which code for a previously unidentified human collagen chain. Although the cDNA-derived primary structure of this new polypeptide is very similar to the basement membrane collagen alpha 1(IV) and alpha 2(IV) chains, the carboxyl-terminal collagenous/non-collagenous junction sequence does not correspond to the junction sequence in either of the newly described alpha 3(IV) or alpha 4(IV) chains (Butkowski, R.J., Langeveld, J.P.M., Wieslander, J., Hamilton, J., and Hudson, B. G. (1987) J. Biol. Chem. 262, 7874-7877). Thus the protein presented here has been designated the alpha 5 chain of type IV collagen. Four clones encode an open reading frame of 1602 amino acids that cover about 95% of the entire chain including half of the amino-terminal 7S domain and all of the central triple-helical region and carboxyl-terminal NC1 domain. The collagenous region of the alpha 5(IV) chain contains 22 interruptions which are in most cases identical in distribution to those in both the alpha 1(IV) and alpha 2(IV) chains. Despite the relatively low degree of conservation among the amino acids in the triple-helical region of the three type IV collagen chains, analysis of the sequences clearly showed that alpha 5(IV) is more related to alpha 1(IV) than to alpha 2(IV). This similarity between the alpha 5(IV) and alpha 1(IV) chains is particularly evident in the NC1 domains where the two polypeptides are 83% identical in contrast to the alpha 5(IV) and alpha 2(IV) identity of 63%. In addition to greatly increasing the complexity of basement membranes, the alpha 5 chain of type IV collagen may be responsible for specialized functions of some of these extracellular matrices. In this regard, it is important to note that we have recently assigned the alpha 5(IV) gene to the region of the X chromosome containing the locus for a familial type of hereditary nephritis known as Alport syndrome (Myers, J.C., Jones, T.A., Pohjalainen, E

  15. Template-nucleated alanine-lysine helices are stabilized by position-dependent interactions between the lysine side chain and the helix barrel.

    PubMed

    Groebke, K; Renold, P; Tsang, K Y; Allen, T J; McClure, K F; Kemp, D S

    1996-04-30

    The helicity in water has been determined for several series of alanine-rich peptides that contain single lysine residues and that are N-terminally linked to a helix-inducing and reporting template termed Ac-Hel1. The helix-propagating constant for alanine (sAla value) that best fits the properties of these peptides lies in the range of 1.01-1.02, close to the value reported by Scheraga and coworkers [Wojcik, J., Altmann, K.-H. & Scheraga, H.A. (1990) Biopolymers 30, 121-134], but significantly lower than the value assigned by Baldwin and coworkers [Chakrabartty, A., Kortemme, T. & Baldwin, R.L. (1994) Protein Sci. 3,843-852]. From a study of conjugates Ac-Hel1-Ala(n)-Lys-Ala(m)-NH2 and analogs in which the methylene portion of the lysine side chain is truncated, we find that the unusual helical stability of Ala(n)Lys peptides is controlled primarily by interactions of the lysine side chain with the helix barrel, and only passively by the alanine matrix. Using 1H NMR spectroscopy, we observe nuclear Overhauser effect crosspeaks consistent with proton-proton contacts expected for these interactions. PMID:8633010

  16. Molecular analogs of the hemihelix: A computational study of chain molecules containing left- and right-handed helices

    NASA Astrophysics Data System (ADS)

    Pichierri, Fabio

    2014-08-01

    Using density functional theory (DFT) we design two novel chain molecules containing a left-handed (thia)helicene unit connected to a right-handed (thia)helicene unit via a phosphoroussbnd phosphorous (Psbnd P) bond. These chains represent the molecular analogs of the novel hemihelix structure recently discovered by a group of Harvard University scientists. The HOMO and LUMO levels of the heterochiral chains, termed hemihelicenes, are localized on the left- and right-handed blocks, respectively. In contrast, the frontier orbitals of the chains containing homochiral (thia)helicenes connected by a Psbnd P bond are delocalized all over the chain.

  17. Nanoscale stabilization of zintl compounds: 1D ionic Li-P double helix confined inside a carbon nanotube

    NASA Astrophysics Data System (ADS)

    Ivanov, Alexander S.; Kar, Tapas; Boldyrev, Alexander I.

    2016-02-01

    One-dimensional (1D) ionic nanowires are extremely rare materials due to the difficulty in stabilizing 1D chains of ions under ambient conditions. We demonstrate here a theoretical prediction of a novel hybrid material, a nanotube encapsulated 1D ionic lithium monophosphide (LiP) chain, featuring a unique double-helix structure, which is very unusual in inorganic chemistry. This nanocomposite has been investigated with density functional theory, including molecular dynamics simulations and electronic structure calculations. We find that the formation of the LiP double-helical nanowire is facilitated by strong interactions between LiP and CNTs resulting in a charge transfer. This work suggests that nanostructured confinement may be used to stabilize other polyphosphide 1D chains, thus opening new ways to study the chemistry of zintl compounds at the nanoscale.One-dimensional (1D) ionic nanowires are extremely rare materials due to the difficulty in stabilizing 1D chains of ions under ambient conditions. We demonstrate here a theoretical prediction of a novel hybrid material, a nanotube encapsulated 1D ionic lithium monophosphide (LiP) chain, featuring a unique double-helix structure, which is very unusual in inorganic chemistry. This nanocomposite has been investigated with density functional theory, including molecular dynamics simulations and electronic structure calculations. We find that the formation of the LiP double-helical nanowire is facilitated by strong interactions between LiP and CNTs resulting in a charge transfer. This work suggests that nanostructured confinement may be used to stabilize other polyphosphide 1D chains, thus opening new ways to study the chemistry of zintl compounds at the nanoscale. Electronic supplementary information (ESI) available: Additional DOS, band structures, and Bader charges for LiP@SWCNTs. See DOI: 10.1039/c5nr07713c

  18. Terahertz excitations near the quantum critical point in the 1D Ising chain quantum magnet CoNb2O6

    NASA Astrophysics Data System (ADS)

    Morris, Christopher M.; Valdés Aguilar, R.; Koopayeh, S.; McQueen, T. M.; Armitage, N. P.

    2013-03-01

    The one-dimensional magnet CoNb2O6 was recently demonstrated to be an excellent realization of a one-dimensional quantum Ising spin chain. It has been shown to undergo a quantum phase transition in a magnetic field oriented transverse to its ferromagnetically aligned spin chains. Low energy spin-flip excitations in the chains were recently observed via inelastic neutron scattering.[2] The energy spectrum of these excitations was shown to have a interesting energy scaling governed by symmetries of the E8 exceptional Lie group. Here, time-domain terahertz spectroscopy (TDTS) is used to investigate these optically active spin flip excitations in CoNb2O6 in an external magnetic field. For static magnetic fields oriented transverse to the spin chains, the terahertz excitations show evidence of the phase transitions that occur near the quantum critical magnetic field. Additional spin flip excitations are also observed for longitudinally oriented magnetic fields. Work supported by The Institute of Quantum Matter under DOE grant DE-FG02-08ER46544 and by the Gordon and Betty Moore Foundation.

  19. Field and dilution effects on the magnetic relaxation behaviours of a 1D dysprosium(iii)-carboxylate chain built from chiral ligands.

    PubMed

    Han, Tian; Leng, Ji-Dong; Ding, You-Song; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen

    2015-08-14

    A one-dimensional dysprosium(iii)-carboxylate chain in which the Dy(III) ions sit in a pseudo D(2d)-symmetry environment is synthesized and shows different slow magnetic relaxation behaviours depending on the field and dilution effects. Besides, the chiral ligand introduces the additional functions of the Cotton effect and polarization for this compound. PMID:26159885

  20. Spin crossover and solvate effects in 1D Fe{sup II} chain compounds containig Bis(dipyridylamine)-linked triazine ligands.

    SciTech Connect

    Ross, , T. M.; Moubaraki, B.; Turner, D. R.; Halder, G. J.; Chastanet, G.; Neville, S. M.; Cashion, J. D.; Letard, J. F.; Batten, S. R.; Murray, K. S.

    2011-03-01

    A series of 1D polymeric FeII spin crossover (SCO) compounds of type trans-[FeII(NCX)2(L)] Solvent has been synthesised {l_brace}L = DPPyT = 1-[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridin-4(1H)-one for 1-4{r_brace}; NCX = NCS- for 1 and 2, NCSe- for 3 and 4; Solvent = 2.5CH2Cl2 for 1, 2CHCl3 {center_dot} 0.5CH3OH for 2 and 4, CH2Cl2 for 3; L = DPT (6-phenoxy-N2,N2,N4,N4-tetra-2-pyridinyl-1,3,5-triazine-2,4-diamine) for 5; NCX = NCS- for 5; Solvent = 2CH3OH {center_dot} H2O for 5; L = DQT {l_brace}4-[4,6-bis(dipyridin-2-ylamino)-1,3,5-triazin-2-yloxy]phenol{r_brace} for 6-8; NCX- = NCS- for 6; Solvent = 2CH2Cl2 for 6; NCX- = NCSe- for 7; Solvent = CH2Cl2 {center_dot} CH2ClCH2Cl for 7; NCX- = NCSe- for 8; Solvent = 1.5CH2Cl2 {center_dot} 0.5CH3OH for 8. Two mononuclear complexes, trans-[FeII(NCS)2(DPT)2] {center_dot} 2CH3OH (9) and trans-[FeII(NCSe)2(DPT)2] {center_dot} 2CH3OH (10), contained the L ligand in a terminal bidentate coordination mode. As well as variations made in the NCX- ligands, variations were also made in substituent groups on the s-triazine 'core' of L to investigate their intermolecular/supramolecular role in crystal packing and, thus, their influence on SCO properties. All the complexes crystallised as solvates, and the influence of the latter on the magnetism and spin transitions was explored. A wide range of physical methods was employed, as a function of temperature, viz. crystallography, PXRD (synchrotron), susceptibilities, LIESST and Moessbauer effect, in order to probe magnetostructural correlations in these 1D families. New examples of half-crossovers, with ordered -LS-HS-LS-HS- intrachain states existing below T1/2, have been observed and comparisons made to related one- or two-step systems. All the observed transitions are gradual and non-hysteretic, and brief comments are made in relation to recent theoretical models for cooperativity, developed elsewhere.

  1. Three new 2-D metal-organic frameworks containing 1-D metal chains bridged by N-benzesulfonyl-glutamic acid: Syntheses, crystal structures and properties

    SciTech Connect

    Ma Lufang; Huo Xiankuan; Wang Liya Wang Jiange; Fan Yaoting

    2007-05-15

    To explore the possibility of obtaining the metal-organic frameworks (MOFs) bearing the bsgluH{sub 2} ligand, two new Cd(II) and one Cu(II) coordination polymers, [Cd(bsglu)(bipy)] {sub n} (1), [Cd(bsglu).(H{sub 2}O)] {sub n} (2) and {l_brace}[Cu{sub 2}(bsglu){sub 2}(bipy){sub 2}].4H{sub 2}O{r_brace} {sub n} (3) (bsglu=N-benzesulfonyl-glutamic acid bianion, bipy=2,2'-bipyridine) were synthesized and characterized by IR, elemental analysis and X-ray diffraction analysis. Compounds 1 and 3 exhibit one-dimensional coordination chains, which are further connected to form two-dimensional supramolecular networks through {pi}-{pi} aromatic stacking interactions in a novel zipper-like way. Compound 2 presents a two-dimensional layer structure. To the best of our knowledge, 2 is the first two-dimensional complex formed from transition metal and bsgluH{sub 2} ligand. Interestingly, the bsglu anion exhibits remarkable versatile coordination modes in these complexes. Fluorescent analyses show that 1 exhibits photoluminescence in the solid state. Magnetic measurements for 3 revealed that the Cu(II) chain exhibit a weak antiferromagnetic behavior with a J value of -0.606 cm{sup -1}. - Graphical abstract: Three new complexes, [Cd(bsglu)(bipy)] {sub n} (1), [Cd(bsglu).(H{sub 2}O)] {sub n} (2) and {l_brace}[Cu{sub 2}(bsglu){sub 2}(bipy){sub 2}].4H{sub 2}O{r_brace} {sub n} (3), constructed from Cd(II) or Cu(II) salt with N-benzesulfonyl-glutamic acid were synthesized and characterized. Compounds 1 and 3 exhibit one-dimensional chains which are further connected to form two-dimensional supramolecular networks through {pi}-{pi} aromatic stacking interactions in a novel zipper-like way. Compound 2 presents a two-dimensional layer structure. Luminescence of 1 and magnetic properties of 3 are also investigated.

  2. Supramolecular assembled of hexameric water clusters into a 1D chain containing (H2O)6 and [(H2O)4O2] stabilized by hydrogen bonding in a copper complex

    PubMed Central

    2012-01-01

    Background Various water clusters including hexamers, heptamers, octamers, decamers and 1D or 2D infinite water chains in a number of organic and inorganic-organic hybrid hosts, have been reported. Results {[Cu(pydc)(amp)].3H2O}n has been hydrothermally synthesized and characterized by elemental analysis and by IR spectroscopy. A wide range of hydrogen bonds (of the O-H...O, N-H...O and N-H...N type) are present in the crystal structure. Hydrogen bond interactions between the co-crystallized water molecules led to formation of six-membered rings with chair conformation. Conclusion In {[Cu(pydc)(amp)].3H2O}n, there are three uncoordinated water molecules. Thermal methods confirm number of co-crystallized water molecules in polymer. Hydrogen bond interactions between the co-crystallized water molecules led to the formation of a six-membered ring with the chair conformation. These rings are part of a 1D chain containing six-membered O6 rings, which are alternately made from (H2O)6 and [(H2O)4O2] rings. [(H2O)4O2] rings are also in chair conformation. PMID:22264401

  3. 1D μ-glycine-briged copper (II) chain in complex [Cu(μ-Gly)Im(ClO4)]n and ferromagnetic interactions among copper (II)

    NASA Astrophysics Data System (ADS)

    Pan, Lu; Lv, Xue-Chuan; Luo, Guan-Hua; Gao, Xiao-Han; Tan, Zhi-Cheng

    2016-12-01

    Complex [Cu(μ-Gly)Im(ClO4)]n(Im = imidazole, and Gly = glycine) with μ-glycine-briged copper (II) chain, containing six-coordination distorted elongated octahedron, was synthesized and characterized. The complex belongs to space group P 21/c measured by X-ray single crystal diffraction. In the cluster, each Cu2+ ion are six-coordination by one nitrogen atom and two oxygen atoms of glycine, one nitrogen atoms of imidazole, and two of oxygen atoms of two perchlorate. Each Cu2+ ion has an N2O4 donor set, which forms the distorted elongated octahedron due to the Jahn-Teller (JT) effect. The magnetic and thermodynamic properties were researched. Magnetic susceptibilities of the complex showed that ferromagnetic interactions occurred between the Cu (II) atoms. The Curie-Weiss constant C = 0.565 cm3 K·mol-1 and the Weiss constant θ = 1.0585 K were given by the Curie-Weiss law The ferromagnetic nature of the interaction could be deduced as the exchange pathway of Cusbnd Osbnd Csbnd Osbnd Cu, which involved an equatorial position at one copper (II) ion and an axial position of the nearest copper (II). The complex decomposed from 511 to 538 K as two steps.

  4. Helices Of Helices

    NASA Astrophysics Data System (ADS)

    Siavashpouri, Mahsa; Zakhary, Mark; Wachauf, Christian; Dietz, Hendrik; Dogic, Zvonimir

    Twisted ribbons are characteristic structural motifs that are prevalent in nature. However correlation between the macroscopic properties of the final self-assemblages and the microscopic features of the constituent molecules remain unknown. We describe a new class of supramolecular 1D assemblages with tunable mechanical properties. Using DNA origami technique, we design and structure rod-like colloidal particles that have excluded volume interactions and self-assemble into twisted ribbons in presence of attractive interactions mediated by non-absorbing polymers. By comparing behavior of DNA origami filaments and rodlike viruses we demonstrate that self-assembly into 1D twisted ribbons is universal and independent of the system materials. Tuning the molecular properties of the DNA origami particles, determines the physical properties of the entire self-assembled structures. Furthermore, to understand the connection between the chirality at the molecular scale and the macroscopic chiral structures, we measured twist periodicity (pitch) of cholesteric phase associated to various DNA origami designs which can develop a new framework in understanding microscopic origin of chirality in liquid crystals.

  5. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    SciTech Connect

    Xin Lingyun; Liu Guangzhen; Wang Liya

    2011-06-15

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H{sub 2}PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H{sub 2}O)]{sub n}(1), [Zn(PHDA)(BPP)]{sub n}(2), and [Cu{sub 2}(PHDA){sub 2}(BPP)]{sub n}(3) (H{sub 2}PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D{yields}2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4{sup 8}6{sup 6}8 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state. - Graphical Abstract: We show diverse supramolecular frameworks based on the same ligands (PHDA and BPP) and different metal acetate salts including 1D double-stranded chain, 2D {yields} 2D twofold interpenetrated layer, and 3D self-penetration networks. Highlights: > Three metal(II = 2 /* ROMAN ) coordination polymers were synthesized using H{sub 2}PHDA and BPP. > The diversity of structures show a remarked sensitivity to metal(II) center. > Complexes show the enhancement of fluorescence compared to that of free ligand.

  6. Structure and thermodynamic properties of (C5H12N)CuBr3: a new weakly coupled antiferromagnetic spin-1/2 chain complex lying in the 1D-3D dimensional cross-over regime.

    PubMed

    Pan, Bingying; Wang, Yang; Zhang, Lijuan; Li, Shiyan

    2014-04-01

    Single crystals of a metal organic complex (C5H12N)CuBr3 (C5H12N = piperidinium, pipH for short) have been synthesized, and the structure was determined by single-crystal X-ray diffraction. (pipH)CuBr3 crystallizes in the monoclinic group C2/c. Edging-sharing CuBr5 units link to form zigzag chains along the c axis, and the neighboring Cu(II) ions with spin-1/2 are bridged by bibromide ions. Magnetic susceptibility data down to 1.8 K can be well fitted by the Bonner-Fisher formula for the antiferromagnetic spin-1/2 chain, giving the intrachain magnetic coupling constant J ≈ -17 K. At zero field, (pipH)CuBr3 shows three-dimensional (3D) order below TN = 1.68 K. Calculated by the mean-field theory, the interchain coupling constant J' = -0.91 K is obtained and the ordered magnetic moment m0 is about 0.23 μB. This value of m0 makes (pipH)CuBr3 a rare compound suitable to study the 1D-3D dimensional cross-over problem in magnetism, since both 3D order and one-dimensional (1D) quantum fluctuations are prominent. In addition, specific heat measurements reveal two successive magnetic transitions with lowering temperature when external field μ0H ≥ 3 T is applied along the a' axis. The μ0H-T phase diagram of (pipH)CuBr3 is roughly constructed. PMID:24617285

  7. Helical equilibrium

    SciTech Connect

    Yoshikawa, S.

    1981-08-01

    A straight, helical plasma equilibrium equation is solved numerically for a plasma with a helical magnetic axis. As is expected, by a suitable choice of the plasma boundary, the vacuum configuration is made line ..integral.. dl/B stable. As the plasma pressure increases, the line ..integral.. dl/B criterion will improve (again as expected). There is apparently no limit on the plasma ..beta.. from the equilibrium consideration. Thus helical-axis stellarator ..beta.. will presumably be limited by MHD stability ..beta.., and not by equilibrium ..beta...

  8. A unified convention for biological assemblies with helical symmetry

    SciTech Connect

    Tsai, Chung-Jung; Nussinov, Ruth

    2011-08-01

    A new representation of helical structure by four parameters, [n{sub 1}, n{sub 2}, twist, rise], is able to generate an entire helical construct from asymmetric units, including cases of helical assembly with a seam. Assemblies with helical symmetry can be conveniently formulated in many distinct ways. Here, a new convention is presented which unifies the two most commonly used helical systems for generating helical assemblies from asymmetric units determined by X-ray fibre diffraction and EM imaging. A helical assembly is viewed as being composed of identical repetitive units in a one- or two-dimensional lattice, named 1-D and 2-D helical systems, respectively. The unification suggests that a new helical description with only four parameters [n{sub 1}, n{sub 2}, twist, rise], which is called the augmented 1-D helical system, can generate the complete set of helical arrangements, including coverage of helical discontinuities (seams). A unified four-parameter characterization implies similar parameters for similar assemblies, can eliminate errors in reproducing structures of helical assemblies and facilitates the generation of polymorphic ensembles from helical atomic models or EM density maps. Further, guidelines are provided for such a unique description that reflects the structural signature of an assembly, as well as rules for manipulating the helical symmetry presentation.

  9. Helical logic

    NASA Astrophysics Data System (ADS)

    Merkle, Ralph C.; Drexler, K. Eric

    1996-12-01

    Helical logic is a theoretical proposal for a future computing technology using the presence or absence of individual electrons (or holes) to encode 1s and 0s. The electrons are constrained to move along helical paths, driven by a rotating electric field in which the entire circuit is immersed. The electric field remains roughly orthogonal to the major axis of the helix and confines each charge carrier to a fraction of a turn of a single helical loop, moving it like water in an Archimedean screw. Each loop could in principle hold an independent carrier, permitting high information density. One computationally universal logic operation involves two helices, one of which splits into two `descendant' helices. At the point of divergence, differences in the electrostatic potential resulting from the presence or absence of a carrier in the adjacent helix controls the direction taken by a carrier in the splitting helix. The reverse of this sequence can be used to merge two initially distinct helical paths into a single outgoing helical path without forcing a dissipative transition. Because these operations are both logically and thermodynamically reversible, energy dissipation can be reduced to extremely low levels. This is the first proposal known to the authors that combines thermodynamic reversibility with the use of single charge carriers. It is important to note that this proposal permits a single electron to switch another single electron, and does not require that many electrons be used to switch one electron. The energy dissipated per logic operation can very likely be reduced to less than 0957-4484/7/4/004/img5 at a temperature of 1 K and a speed of 10 GHz, though further analysis is required to confirm this. Irreversible operations, when required, can be easily implemented and should have a dissipation approaching the fundamental limit of 0957-4484/7/4/004/img6.

  10. New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

    NASA Astrophysics Data System (ADS)

    Xin, Ling-Yun; Liu, Guang-Zhen; Wang, Li-Ya

    2011-06-01

    The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H 2PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H 2O)] n(1), [Zn(PHDA)(BPP)] n(2), and [Cu 2(PHDA) 2(BPP)] n(3) (H 2PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D→2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4 86 68 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state.

  11. Helical filaments

    NASA Astrophysics Data System (ADS)

    Barbieri, Nicholas; Hosseinimakarem, Zahra; Lim, Khan; Durand, Magali; Baudelet, Matthieu; Johnson, Eric; Richardson, Martin

    2014-06-01

    The shaping of laser-induced filamenting plasma channels into helical structures by guiding the process with a non-diffracting beam is demonstrated. This was achieved using a Bessel beam superposition to control the phase of an ultrafast laser beam possessing intensities sufficient to induce Kerr effect driven non-linear self-focusing. Several experimental methods were used to characterize the resulting beams and confirm the observed structures are laser air filaments.

  12. A two-fold interpenetrating 3D metal-organic framework material constructed from helical chains linked via 4,4'-H{sub 2}bpz fragments

    SciTech Connect

    Xie Yiming; Zhao Zhenguo; Wu Xiaoyuan; Zhang Qisheng; Chen Lijuan; Wang Fei; Chen Shanci; Lu Canzhong

    2008-12-15

    A 3-connected dia-f-type metal-organic framework compound {l_brace}[Ag(L){sub 3/2}H{sub 2}PO{sub 4}]{r_brace}{sub n} (1) has been synthesized by self-assembly of 4,4'-H{sub 2}bpz (L=4,4'-H{sub 2}bpz=3,3',5,5'-tetramethyl-4,4'-bipyrazole) and Ag{sub 4}P{sub 2}O{sub 7} under hydrothermal conditions. It crystallizes in the tetragonal space group I4{sub 1}/acd with a=21.406(4) A, b=21.406(4) A, c=36.298(8) A, Z=32. X-ray single-crystal diffraction reveals that 1 has a three-dimensional framework with an unprecedented alternate left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net. Photoluminescent investigation reveals that the title compound displays interesting emissions in a wide region, which shows that the title compound may be a good potential candidate as a photoelectric material. - Graphical abstract: A 3-connected dia-f-type metal-organic framework compound [Ag(4,4'-bpz){sub 3/2}H{sub 2}PO{sub 4}] shows unprecedented alternating left- and right-handed helices structure, featuring a non-uniform two-fold interpenetrated (4.14{sup 2}) net.

  13. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units.

    PubMed

    Yao, Zizhu; Zhang, Zhangjing; Liu, Lizhen; Li, Ziyin; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Chen, Banglin; Krishna, Rajamani; Xiang, Shengchang

    2016-04-11

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2 (COO2 )4 } nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2 H2 /CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2 H2 /C2 H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2 H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2 H2 molecules with the open O donors on the wall, which provide better recognition ability for C2 H2 than other functional sites, including open metal sites and amino groups. PMID:26934040

  14. Two new helical compounds based on Keggin clusters and N-donor multidentate ligand: Syntheses, structures and properties

    SciTech Connect

    Zhou, Shi; Liu, Bo; Li, Xiao-Min; Shi, Tian; Chen, Ya-Guang

    2014-11-15

    Two isostructural polyoxometalate-based inorganic–organic hybrids with 1D helical chain, [CuH{sub 3}L{sub 2}(GeMo{sub 12}O{sub 40})]·2H{sub 2}O (1) and [CuH{sub 3}L{sub 2}(SiMo{sub 12}O{sub 40})]·2H{sub 2}O (2), where L=2,4,5-tri(4-pyridyl)-imidazole have been synthesized under hydrothermal conditions. It is the first time to use the L ligand to synthesis the Keggin-type polyoxometalate-based inorganic–organic hybrids. The two compounds possess the left- and right-handed helical chains and the POMs as pendants attach in the helical chains through Cu–O bonds. The two compounds have been characterized by elemental analyses, infrared (IR) spectroscopy, powder X-ray diffraction (PXRD), X-ray photoelectron spectra (XPS), thermogravimetric analysis (TGA) and photoluminescent spectroscopy. Moreover, nitrogen adsorption−desorption measurement, electrochemical and photocatalysis properties for degradation of methylene blue (MB) upon a UV irradiation of compound 1 have been examined. - Graphical abstract: Two new compounds, [CuH{sub 3}L{sub 2}(GeMo{sub 12}O{sub 40})]·2H{sub 2}O (1) and [CuH{sub 3}L{sub 2}(SiMo{sub 12}O{sub 40})]·2H{sub 2}O (2) have been synthesized under hydrothermal conditions. The two compounds possess the left- and right-handed helical chains. - Highlights: • The tridentate L ligand is first used to synthesis Keggin-type polyoxometalates. • The two compounds possess the left- and right-handed Cu–L helical chains. • Relationship between surface properties and photocatalytic activity was studied. • Two compounds exhibit photoluminescence of ligand-to-metal charge transfer.

  15. A substitution at a non-glycine position in the triple-helical domain of pro alpha 2(I) collagen chains present in an individual with a variant of the Marfan syndrome.

    PubMed Central

    Phillips, C L; Shrago-Howe, A W; Pinnell, S R; Wenstrup, R J

    1990-01-01

    A substitution for a highly conserved non-glycine residue in the triple-helical domain of the pro alpha 2(I) collagen molecule was found in an individual with a variant of the Marfan syndrome. A single base change resulted in substitution of arginine618 by glutamine at the Y position of a Gly-X-Y repeat, and is responsible for the decreased migration in SDS-polyacrylamide gels of some pro alpha 2(I) chains of type I collagen synthesized by dermal fibroblasts from this individual. Family studies suggest that this substitution was inherited from the individual's father who also produces abnormally migrating pro alpha 2(I) collagen chains and shares some of the abnormal skeletal features. This single base change creates a new Bsu36 I (Sau I, Mst II) restriction site detectable in genomic DNA by Southern blot analysis when probed with a COL1A2 fragment. The analysis of 52 control individuals (103 chromosomes) was negative for the new Bsu36 I site, suggesting that the substitution is not a common polymorphism. Images PMID:1978725

  16. Solvent triggered structural diversity of triple-stranded helicates: single molecular magnets.

    PubMed

    Li, Hongfeng; Chen, Peng; Sun, Wenbin; Zhang, Lei; Yan, Pengfei

    2016-02-21

    Multiple-stranded helicates are of interest in respect of their simplicity in geometry and significance in biology and materials. Bis-β-diketones have shown their advantage in terms of structure and geometry in the construction of multiple-stranded helicates, but further studies on their properties are limited due to their poor crystallization. In this study, solvents are found to play a decisive role in the crystallization of triple-stranded helicates. [Dy2(BTB)3(H2O)4] is used as a precursor to solvent-dependently crystallize three complexes [Dy2(BTB)3(CH3OH)4]·3CH3OH (1), [Dy2(BTB)3(DME)2] (2) and [Dy2(BTB)3(DOA)(H2O)2]·4.5DOA (3) (BTB = 3,3'-bis(4,4,4-trifluoro-1,3-dioxobutyl)biphenyl), where the key structural motif of the triple-stranded helicate, [Dy2(BTB)3], is retained. Four methanol molecules are found to ligate to Dy(3+) ions in 1, while each Dy(3+) ion is chelated by one DME molecule in 2. Interestingly, it is observed that 1,4-dioxane as a bridge ligates to two adjacent Dy(3+) ions, giving rise to the formation of a 1D chain structure. Magnetic measurement shows that 1 and 2 display slow magnetic relaxation under zero dc field, while single molecular magnet behavior is obtained for 3 under an applied dc field of 2000 Oe. PMID:26781997

  17. 1D coordination polymers with polychalcogenides as linkers between metal atoms

    SciTech Connect

    Kysliak, Oleksandr; Beck, Johannes

    2013-07-15

    The reactions of zinc metal with elemental selenium and selenium/sulfur mixtures in liquid ammonia or methylamine under solvothermal conditions in closed glass ampoules at 50 °C lead within some days specifically to [Zn(NH{sub 3}){sub 2}Se{sub 4}]{sub n} (1), [Zn(MeNH{sub 2}){sub 2}Se{sub 4}]{sub n} (2), [Zn(NH{sub 3}){sub 2}Se{sub 2.23}S{sub 1.77}]{sub n} (3). From MnCl{sub 2}, Rb{sub 2}Se and excess Se in n-butylamine [Mn({sup n}BuNH{sub 2}){sub 4}Se{sub 6}]{sub n} (4) is obtained after prolonged reaction time at ambient temperature. The compounds are sensitive towards air and loss of NH{sub 3} or the amine ligands. The crystal structures were determined by single crystal diffraction at low temperatures. As a common structural feature, all compounds represent 1D coordination polymers with polychalcogenide chains as linkers between the metal atoms and consist of infinite [M–Ch{sub m}–]{sub n} chains (M=Zn, Mn; Ch{sub m}=Se{sub 4}, (S/Se){sub 4}, Se{sub 6}). The Zn central atoms in 1–3 have tetrahedral coordination with two amine ligands, the Mn atoms in 4 have octahedral coordination with four amine ligands and cis position of the two Se atoms. Raman spectra of 1–3 show the stretching mode vibrations of the Ch{sub 4} groups. The observation of S–S, S–Se, and Se–Se vibration bands in the spectrum of 3 indicates the presence of mixed S/Se polyanions. An optical band gap of 1.86(5) eV was determined for 2 by diffuse reflectance spectroscopy. - Graphical abstract: The reaction of Zn and Se in liquid methylamine yields dark red [Zn(NH{sub 2}CH{sub 3})Se{sub 4}], a 1D coordination polymer consisting of helical Zn–Se{sub 4}–Zn– chains. - Highlights: • A series of 1D coordination polymers consisting of metal amine complexes concatenated by polychalcogenide ions is presented. • Syntheses were performed as solvothermal reactions in liquid ammonia, liquid methylamine and n-butylamine. • Crystal structures are dominated by helices [M–Ch{sub m

  18. Bilinear forms and soliton solutions for a fourth-order variable-coefficient nonlinear Schrödinger equation in an inhomogeneous Heisenberg ferromagnetic spin chain or an alpha helical protein

    NASA Astrophysics Data System (ADS)

    Yang, Jin-Wei; Gao, Yi-Tian; Wang, Qi-Min; Su, Chuan-Qi; Feng, Yu-Jie; Yu, Xin

    2016-01-01

    In this paper, a fourth-order variable-coefficient nonlinear Schrödinger equation is studied, which might describe a one-dimensional continuum anisotropic Heisenberg ferromagnetic spin chain with the octuple-dipole interaction or an alpha helical protein with higher-order excitations and interactions under continuum approximation. With the aid of auxiliary function, we derive the bilinear forms and corresponding constraints on the variable coefficients. Via the symbolic computation, we obtain the Lax pair, infinitely many conservation laws, one-, two- and three-soliton solutions. We discuss the influence of the variable coefficients on the solitons. With different choices of the variable coefficients, we obtain the parabolic, cubic, and periodic solitons, respectively. We analyse the head-on and overtaking interactions between/among the two and three solitons. Interactions between a bound state and a single soliton are displayed with different choices of variable coefficients. We also derive the quasi-periodic formulae for the three cases of the bound states.

  19. From 1D chain to 3D network: a new family of inorganic-organic hybrid semiconductors MO3(L)(x) (M = Mo, W; L = organic linker) built on perovskite-like structure modules.

    PubMed

    Zhang, Xiao; Hejazi, Mehdi; Thiagarajan, Suraj J; Woerner, William R; Banerjee, Debasis; Emge, Thomas J; Xu, Wenqian; Teat, Simon J; Gong, Qihan; Safari, Ahmad; Yang, Ronggui; Parise, John B; Li, Jing

    2013-11-20

    MO3 (M = Mo, W) or VI-VI binary compounds are important semiconducting oxides that show great promise for a variety of applications. In an effort to tune and enhance their properties in a systematic manner we have applied a designing strategy to deliberately introduce organic linker molecules in these perovskite-like crystal lattices. This approach has led to a wealth of new hybrid structures built on one-dimensional (1D) and two-dimensional (2D) VI-VI modules. The hybrid semiconductors exhibit a number of greatly improved properties and new functionality, including broad band gap tunability, negative thermal expansion, largely reduced thermal conductivity, and significantly enhanced dielectric constant compared to their MO3 parent phases. PMID:24152119

  20. Synthesis, crystal structure and properties of two 1D nano-chain coordination polymers constructed by lanthanide with pyridine-3,4-dicarboxylic acid and 1,10-phenanthroline

    SciTech Connect

    Song Huihua Li Yajuan; Song You; Han Zhangang; Yang Fang

    2008-05-15

    The hydrothermal reactions of LnCl{sub 3}.6H{sub 2}O (Ln=Eu, Tb), pyridine-3,4-dicarboxylic acid (3,4-pydaH{sub 2}), 1,10-phenthroline (phen) and NaOH in aqueous medium yield two metal-organic hybrid materials, [Eu{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (1) and [Tb{sub 2}(3,4-pyda){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (2), respectively. Both compounds have similar topology structure containing one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. To the best of our knowledge, they represent the first example of nano-chain coordination polymers constructed by 3,4-pydaH{sub 2} and chelate heterocylic ligand. Interestingly, the 3,4-pyda anion exhibits three kinds of coordination modes in these complexes. The coordination modes of 3,4-pyda in complexes 1 and 2 have not been observed in other coordination polymers containing 3,4-pyda ligands. Compounds 1 and 2 exhibit strong fluorescent emission bands in the solid state at room temperature. Their magnetic analyses show that they exhibit different magnetic interactions. - Graphical abstract: Two novel lanthanide coordination polymers [M{sub 2}(pydc){sub 3}(phen)(H{sub 2}O).H{sub 2}O]{sub n} (M=Eu(1) and Tb(2), pydc=pyridine-3,4-dicarboxylate, phen=1,10-phenthroline) have been synthesized and characterized. Both compounds reveal a one-dimensional nano-chain, which is further assembled into a three-dimensional supramolecular network via {pi}-{pi} stacking interactions and hydrogen bonds. Their luminescent and magnetic properties have been investigated.

  1. Molecular Dynamics with the United-Residue Model of Polypeptide Chains. II. Langevin and Berendsen-Bath Dynamics and Tests on Model α-Helical Systems

    PubMed Central

    Khalili, Mey; Liwo, Adam; Jagielska, Anna; Scheraga, Harold A.

    2008-01-01

    The implementation of molecular dynamics (MD) with our physics-based protein united-residue (UNRES) force field, described in the accompanying paper (Khalili et al. J. Phys. Chem. B 2005, 109, 13785), was extended to Langevin dynamics. The equations of motion are integrated by using a simplified stochastic velocity Verlet algorithm. To compare the results to those with all-atom simulations with implicit solvent in which no explicit stochastic and friction forces are present, we alternatively introduced the Berendsen thermostat. Test simulations on the Ala10 polypeptide demonstrated that the average kinetic energy is stable with about a 5 fs time step. To determine the correspondence between the UNRES time step and the time step of all-atom molecular dynamics, all-atom simulations with the AMBER 99 force field and explicit solvent and also with implicit solvent taken into account within the framework of the generalized Born/surface area (GBSA) model were carried out on the unblocked Ala10 polypeptide. We found that the UNRES time scale is 4 times longer than that of all-atom MD simulations because the degrees of freedom corresponding to the fastest motions in UNRES are averaged out. When the reduction of the computational cost for evaluation of the UNRES energy function is also taken into account, UNRES (with hydration included implicitly in the side chain–side chain interaction potential) offers about at least a 4000-fold speed up of computations relative to all-atom simulations with explicit solvent and at least a 65-fold speed up relative to all-atom simulations with implicit solvent. To carry out an initial full-blown test of the UNRES/MD approach, we ran Berendsen-bath and Langevin dynamics simulations of the 46-residue B-domain of staphylococcal protein A. We were able to determine the folding temperature at which all trajectories converged to nativelike structures with both approaches. For comparison, we carried out ab initio folding simulations of this

  2. An optimal hydrogen-bond surrogate for α-helices.

    PubMed

    Joy, Stephen T; Arora, Paramjit S

    2016-04-14

    Substitution of a main chain i → i + 4 hydrogen bond with a covalent bond can nucleate and stabilize the α-helical conformation in peptides. Herein we describe the potential of different alkene isosteres to mimic intramolecular hydrogen bonds and stabilize α-helices in diverse peptide sequences. PMID:27046675

  3. On the Importance of Noncovalent Carbon-Bonding Interactions in the Stabilization of a 1D Co(II) Polymeric Chain as a Precursor of a Novel 2D Coordination Polymer.

    PubMed

    Pal, Pampi; Konar, Saugata; Lama, Prem; Das, Kinsuk; Bauzá, Antonio; Frontera, Antonio; Mukhopadhyay, Subrata

    2016-07-14

    A new cobalt(II) coordination polymer 2 with μ1,5 dicyanamide (dca) and a bidentate ligand 3,5-dimethyl-1-(2'-pyridyl)pyrazole (pypz) is prepared in a stepwise manner using the newly synthesized one-dimensional linear Co(II) coordination polymer 1 as a precursor. The structural and thermal characterizations elucidate that the more stable complex 2 shows a two-dimensional layer structural feature. Here, Co(II) atoms with μ1,5 dicyanamido bridges are linked by the ligand pypz forming a macrocyclic chain that runs along the crystallographic 'c' axis having 'sql' (Shubnikov notation) net topology with a 4-connected uninodal node having point symbol {4(4).6(2)}. The remarkable noncovalent carbon-bonding contacts detected in the X-ray structure of compound 1 are analyzed and characterized by density functional theory calculations and the analysis of electron charge density (atoms in molecules). PMID:27295490

  4. A pure inorganic 1D chain based on {Mo8O28} clusters and Mn(II) ions: [Mn(H2O)2Mo8O28 ] n 6 n -

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaofen; Yan, Yonghong; Wu, Lizhou; Yu, Chengxin; Dong, Xinbo; Hu, Huaiming; Xue, Ganglin

    2016-01-01

    A new pure inorganic polymer, (NH4)6n[Mn(H2O)2Mo8O28)]n(H2O)2n(1), has been synthesized and characterized by elemental analyses, IR spectrum, UV-vis absorption spectra, TG-DSC and electrochemical studies. In 1, [Mo8O28]8- anions act as tetradentate ligands and are alternately linked by Mn(H2O)2 2 + ions into a one-dimensional chain structure. It is interesting that 1 represents the first example of pure inorganic-inorganic hybrid based on octamolybdate and transition metal ions. Moreover, it was indicated that 1 had definite catalytic activities on the probe reaction of benzyl alcohol oxidation to benzaldehyde with H2O2.

  5. Discrete hexamer water clusters and 2D water layer trapped in three luminescent Ag/tetramethylpyrazine/benzene-dicarboxylate hosts: 1D chain, 2D layer and 3D network

    NASA Astrophysics Data System (ADS)

    Mei, Hong-Xin; Zhang, Ting; Huang, Hua-Qi; Huang, Rong-Bin; Zheng, Lan-Sun

    2016-03-01

    Three mix-ligand Ag(I) coordination compounds, namely, {[Ag10(tpyz) 5(L1) 5(H2 O)2].(H2 O)4}n (1, tpyz = 2,3,4,5-tetramethylpyrazine, H2 L1 = phthalic acid), [Ag4(tpyz) 2(L2) 2(H2 O)].(H2 O)5}n (2, H2 L2 = isophthalic acid) {[Ag2(tpyz) 2(L3) (H2 O)4].(H2 O)8}n (3, H2 L3 = terephthalic acid), have been synthesized and characterized by elemental analysis, IR, PXRD and X-ray single-crystal diffraction. 1 exhibits a 2D layer which can be simplified as a (4,4) net. 2 is a 3D network which can be simplified as a (3,3)-connected 2-nodal net with a point symbol of {102.12}{102}. 3 consists of linear [Ag(tpyz) (H2 O)2]n chain. Of particular interest, discrete hexamer water clusters were observed in 1 and 2, while a 2D L10(6) water layer exists in 3. The results suggest that the benzene dicarboxylates play pivotal roles in the formation of the different host architectures as well as different water aggregations. Moreover, thermogravimetric analysis (TGA) and emissive behaviors of these compounds were investigated.

  6. Helicity in superfluids

    NASA Astrophysics Data System (ADS)

    Kedia, Hridesh; Kleckner, Dustin; Proment, Davide; Irvine, William T. M.

    Ideal fluid flow conserves a special quantity known as helicity, in addition to energy, momentum and angular momentum. Helicity can be understood as a measure of the knottedness of vortex lines of the flow, providing an important geometric tool to study diverse physical systems such as turbulent fluids and plasmas. Since superfluids flow without resistance just like ideal (Euler) fluids, a natural question arises: Is there an extra conserved quantity akin to helicity in superfluids? We address the question of a ''superfluid helicity'' theoretically and examine its consequences in numerical simulations.

  7. Distortions in protein helices.

    PubMed

    Geetha, V

    1996-08-01

    alpha-helices are the most common secondary structures in observed proteins. However, they are not always found in ideal helical conformation and they often exhibit structural distortions. Quantification of these irregularities become essential in understanding the packing of helices and therefore, their role in the functional characteristics of the protein. The backbone torsions phi, psi are of limited utility in this endeavor, because distorted helices often maintain the backbone geometry. The local compensatory effects are responsible for the preservation of the entire hydrogen bond network of the helical stretch. Earlier descriptions of helical linearity and curvature rest mostly on approximation, thus motivating the search for a better method for understanding and quantifying helical irregularities. We developed a method which involves the rotation and superposition of identical repeating units of the protein by the quaternion method. The set of parameters derived from the rotation-superposition algorithm helps in identifying the bends and kinks which are not necessarily induced by unusual amino acids like proline. The quantification of irregularities of observed helices might lead to a better understanding of their packing interactions. PMID:8842770

  8. A Helical Stairway Project

    ERIC Educational Resources Information Center

    Farmer, Tom

    2008-01-01

    We answer a geometric question that was raised by the carpenter in charge of erecting helical stairs in a 10-story hospital. The explanation involves the equations of lines, planes, and helices in three-dimensional space. A brief version of the question is this: If A and B are points on a cylinder and the line segment AB is projected radially onto…

  9. Emerging double helical nanostructures

    NASA Astrophysics Data System (ADS)

    Zhao, Meng-Qiang; Zhang, Qiang; Tian, Gui-Li; Wei, Fei

    2014-07-01

    As one of the most important and land-mark structures found in nature, a double helix consists of two congruent single helices with the same axis or a translation along the axis. This double helical structure renders the deoxyribonucleic acid (DNA) the crucial biomolecule in evolution and metabolism. DNA-like double helical nanostructures are probably the most fantastic yet ubiquitous geometry at the nanoscale level, which are expected to exhibit exceptional and even rather different properties due to the unique organization of the two single helices and their synergistic effect. The organization of nanomaterials into double helical structures is an emerging hot topic for nanomaterials science due to their promising exceptional unique properties and applications. This review focuses on the state-of-the-art research progress for the fabrication of double-helical nanostructures based on `bottom-up' and `top-down' strategies. The relevant nanoscale, mesoscale, and macroscopic scale fabrication methods, as well as the properties of the double helical nanostructures are included. Critical perspectives are devoted to the synthesis principles and potential applications in this emerging research area. A multidisciplinary approach from the scope of nanoscience, physics, chemistry, materials, engineering, and other application areas is still required to the well-controlled and large-scale synthesis, mechanism, property, and application exploration of double helical nanostructures.

  10. Four 1-D metal-organic polymers self-assembled from semi-flexible benzimidazole-based ligand: Syntheses, structures and fluorescent properties

    NASA Astrophysics Data System (ADS)

    Zhou, Chun-lin; Wang, Shi-min; Liu, Sai-nan; Yu, Tian-tian; Li, Rui-ying; Xu, Hong; Liu, Zhong-yi; Sun, Huan; Cheng, Jia-jia; Li, Jin-peng; Hou, Hong-wei; Chang, Jun-biao

    2016-08-01

    Four one-dimensional (1-D) metal-organic polymers based on methylene-bis(1,1‧-benzimidazole)(mbbz), namely, {[Hg(mbbz)(SCN)2]·1/3H2O}n (1), [Co(mbbz)(Cl)2]n (2), {[Co(mbbz)(SO4)]·CH3OH}n (3) and {[Zn(mbbz)(SO4)]·CH3OH}n (4) have been successfully synthesized and structurally characterized. Single-crystal X-ray diffraction reveals that polymers 1 and 2 exhibit interesting 1-D double helical chain structures, while polymers 3 and 4 are 1-D double chain structures due to the bridging effect of mbbz ligands and sulfate anions. These polymers containing the mbbz-based ligand have a high degree of dependence on the corresponding counter anions. Furthermore, the fluorescence properties of the four polymers were also investigated in the solid state, showing the fluorescence signal changes in comparing with that of free ligand mbbz.

  11. 3(10)-helices in proteins are parahelices.

    PubMed

    Enkhbayar, Purevjav; Hikichi, Kunio; Osaki, Mitsuru; Kretsinger, Robert H; Matsushima, Norio

    2006-08-15

    The 3(10)-helix is characterized by having at least two consecutive hydrogen bonds between the main-chain carbonyl oxygen of residue i and the main-chain amide hydrogen of residue i + 3. The helical parameters--pitch, residues per turn, radius, and root mean square deviation (rmsd) from the best-fit helix--were determined by using the HELFIT program. All 3(10)-helices were classified as regular or irregular based on rmsd/(N - 1)1/2 where N is the helix length. For both there are systematic, position-specific shifts in the backbone dihedral angles. The average phi, psi shift systematically from approximately -58 degrees, approximately -32 degrees to approximately -90 degrees, approximately -4 degrees for helices 5, 6, and 7 residues long. The same general pattern is seen for helices, N = 8 and 9; however, in N = 9, the trend is repeated with residues 6, 7, and 8 approximately repeating the phi, psi of residues 2, 3, and 4. The residues per turn and radius of regular 3(10)-helices decrease with increasing length of helix, while the helix pitch and rise per residue increase. That is, regular 3(10)-helices become thinner and longer as N increases from 5 to 8. The fraction of regular 3(10)-helices decreases linearly with helix length. All longer helices, N > or = 9 are irregular. Energy minimizations show that regular helices become less stable with increasing helix length. These findings indicate that the definition of 3(10)-helices in terms of average, uniform dihedral angles is not appropriate and that it is inherently unstable for a polypeptide to form an extended, regular 3(10)-helix. The 3(10)-helices observed in proteins are better referred to parahelices. PMID:16783793

  12. Theoretical model for calculation of helicity in solar active regions

    NASA Astrophysics Data System (ADS)

    Chatterjee, P.

    We (Choudhuri, Chatterjee and Nandy, 2005) calculate helicities of solar active regions based on the idea of Choudhuri (2003) that poloidal flux lines get wrapped around a toroidal flux tube rising through the convection zone, thereby giving rise to the helicity. Rough estimates based on this idea compare favourably with the observed magnitude of helicity. We use our solar dynamo model based on the Babcock--Leighton α-effect to study how helicity varies with latitude and time. At the time of solar maximum, our theoretical model gives negative helicity in the northern hemisphere and positive helicity in the south, in accordance with observed hemispheric trends. However, we find that, during a short interval at the beginning of a cycle, helicities tend to be opposite of the preferred hemispheric trends. Next we (Chatterjee, Choudhuri and Petrovay 2006) use the above idea along with the sunspot decay model of Petrovay and Moreno-Insertis, (1997) to estimate the distribution of helicity inside a flux tube as it keeps collecting more azimuthal flux during its rise through the convection zone and as turbulent diffusion keeps acting on it. By varying parameters over reasonable ranges in our simple 1-d model, we find that the azimuthal flux penetrates the flux tube to some extent instead of being confined to a narrow sheath outside.

  13. Severe Hypertriglyceridemia in Glut1D on Ketogenic Diet.

    PubMed

    Klepper, Joerg; Leiendecker, Baerbel; Heussinger, Nicole; Lausch, Ekkehart; Bosch, Friedrich

    2016-04-01

    High-fat ketogenic diets are the only treatment available for Glut1 deficiency (Glut1D). Here, we describe an 8-year-old girl with classical Glut1D responsive to a 3:1 ketogenic diet and ethosuximide. After 3 years on the diet a gradual increase of blood lipids was followed by rapid, severe asymptomatic hypertriglyceridemia (1,910 mg/dL). Serum lipid apheresis was required to determine liver, renal, and pancreatic function. A combination of medium chain triglyceride-oil and a reduction of the ketogenic diet to 1:1 ratio normalized triglyceride levels within days but triggered severe myoclonic seizures requiring comedication with sultiam. Severe hypertriglyceridemia in children with Glut1D on ketogenic diets may be underdiagnosed and harmful. In contrast to congenital hypertriglyceridemias, children with Glut1D may be treated effectively by dietary adjustments alone. PMID:26902182

  14. Exerting control over the helical chirality in the main chain of sergeants-and-soldiers-type poly(quinoxaline-2,3-diyl)s by changing from random to block copolymerization protocols.

    PubMed

    Nagata, Yuuya; Nishikawa, Tsuyoshi; Suginome, Michinori

    2015-04-01

    Chiral random poly(quinoxaline-2,3-diyl) polymers of the sergeants-and-soldiers-type (sergeant units bearing (S)-3-octyloxymethyl groups) adopt an M- or P-helical conformation in the presence of achiral units bearing propoxymethyl or butoxy groups (soldier units), respectively. Unusual bidirectional induction of the helical sense can be observed for a copolymer with butoxy soldier units upon changing the mole fraction of the sergeant units. In the presence of 16-20% of sergeant units, the selective induction of a P-helix was observed, while the selective induction of an M-helix was observed for a mole fraction of sergeant units of more than 60%. This phenomenon could be successfully employed to control the helical chirality of copolymers by applying either random or block copolymerization protocols. Random or block copolymerization of sergeant and soldier monomers in a 18:82 ratio resulted in the formation of 250mers with almost absolute P- or M-helical conformation, respectively (>99% ee). Incorporation of a small amount of coordination sites into the random and block copolymers resulted in chiral macromolecular ligands, which allowed the enantioselective synthesis of both enantiomers in the Pd-catalyzed asymmetric hydrosilylation of β-methylstyrene. PMID:25793617

  15. End-to-End Thiocyanato-Bridged Helical Chain Polymer and Dichlorido-Bridged Copper(II) Complexes with a Hydrazone Ligand: Synthesis, Characterisation by Electron Paramagnetic Resonance and Variable-Temperature Magnetic Studies, and Inhibitory Effects on Human Colorectal Carcinoma Cells.

    PubMed

    Das, Kuheli; Datta, Amitabha; Sinha, Chittaranjan; Huang, Jui-Hsien; Garribba, Eugenio; Hsiao, Ching-Sheng; Hsu, Chin-Lin

    2012-04-01

    The reactions of the tridentate hydrazone ligand, N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide (HL), obtained by condensation of 2-acetylpyridine with acetic hyadrazide, with copper nitrate trihydrate in the presence of thiocyanate, or with CuCl2 produce two distinct coordination compounds, namely a one-dimensional helical coordination chain of [CuL(NCS)] n (1) units, and a doubly chlorido-bridged dinuclear complex [Cu2L2Cl2] (2) (where L=CH3C(O)=N-N=CCH3C5H4N). Single-crystal X-ray structural determination studies reveal that in complex 1, a deprotonated hydrazone ligand L(-) coordinates a copper(II) ion that is bridged to two neighbouring metal centres by SCN(-) anions, generating a one-dimensional helical coordination chain. In complex 2, two symmetry-related, adjacent copper(II) coordination entities are doubly chlorido-bridged, producing a dicopper entity with a Cu⋅⋅⋅Cu distance of 3.402 (1) Å. The two coordination compounds have been fully characterised by elemental analysis, spectroscopic techniques including IR, UV-vis and electron paramagnetic resonance, and variable-temperature magnetic studies. The biological effects of 1 and 2 on the viability of human colorectal carcinoma cells (COLO-205 and HT-29) were evaluated using an MTT assay, and the results indicate that these complexes induce a decrease in cell-population growth of human colorectal carcinoma cells with apoptosis. PMID:24551495

  16. Helical plasma thruster

    NASA Astrophysics Data System (ADS)

    Beklemishev, A. D.

    2015-10-01

    A new scheme of plasma thruster is proposed. It is based on axial acceleration of rotating magnetized plasmas in magnetic field with helical corrugation. The idea is that the propellant ionization zone can be placed into the local magnetic well, so that initially the ions are trapped. The E × B rotation is provided by an applied radial electric field that makes the setup similar to a magnetron discharge. Then, from the rotating plasma viewpoint, the magnetic wells of the helically corrugated field look like axially moving mirror traps. Specific shaping of the corrugation can allow continuous acceleration of trapped plasma ions along the magnetic field by diamagnetic forces. The accelerated propellant is expelled through the expanding field of magnetic nozzle. By features of the acceleration principle, the helical plasma thruster may operate at high energy densities but requires a rather high axial magnetic field, which places it in the same class as the VASIMR® rocket engine.

  17. Helical screw viscometer

    DOEpatents

    Aubert, J.H.; Chapman, R.N.; Kraynik, A.M.

    1983-06-30

    A helical screw viscometer for the measurement of the viscosity of Newtonian and non-Newtonian fluids comprising an elongated cylindrical container closed by end caps defining a circular cylindrical cavity within the container, a cylindrical rotor member having a helical screw or ribbon flight carried by the outer periphery thereof rotatably carried within the cavity whereby the fluid to be measured is confined in the cavity filling the space between the rotor and the container wall. The rotor member is supported by axle members journaled in the end caps, one axle extending through one end cap and connectable to a drive source. A pair of longitudinally spaced ports are provided through the wall of the container in communication with the cavity and a differential pressure meter is connected between the ports for measuring the pressure drop caused by the rotation of the helical screw rotor acting on the confined fluid for computing viscosity.

  18. Helical plasma thruster

    SciTech Connect

    Beklemishev, A. D.

    2015-10-15

    A new scheme of plasma thruster is proposed. It is based on axial acceleration of rotating magnetized plasmas in magnetic field with helical corrugation. The idea is that the propellant ionization zone can be placed into the local magnetic well, so that initially the ions are trapped. The E × B rotation is provided by an applied radial electric field that makes the setup similar to a magnetron discharge. Then, from the rotating plasma viewpoint, the magnetic wells of the helically corrugated field look like axially moving mirror traps. Specific shaping of the corrugation can allow continuous acceleration of trapped plasma ions along the magnetic field by diamagnetic forces. The accelerated propellant is expelled through the expanding field of magnetic nozzle. By features of the acceleration principle, the helical plasma thruster may operate at high energy densities but requires a rather high axial magnetic field, which places it in the same class as the VASIMR{sup ®} rocket engine.

  19. Non-helical type IV collagen polypeptides in human placenta.

    PubMed

    Kajimura, Daisuke; Takahashi, Seiichiro; Yoshikawa, Kiwamu; Hattori, Shunji; Sado, Yoshikazu; Imamura, Yasutada; Hayashi, Toshihiko

    2004-01-30

    Our previous reports showed that cultured human cells secrete non-disulfide-bonded non-helical alpha1(IV) and alpha2(IV) chains under physiological conditions. In the present report we show that the alpha(IV) chains in non-helical form were reactive to lectin ABA (Agaricus bisporus agglutinin), whereas the alpha(IV) chains secreted in triple-helical form were not. These results indicate that ABA could be used to distinguish the two conformational isomers of type IV collagen polypeptides. An alpha1(IV) chain isolated from human placenta with an antibody-coupled column showed a positive reaction to ABA, indicating that gelatin form of the type IV collagen alpha1(IV) chain is produced and retained in the tissue in vivo. A possible significance of the gelatin form is discussed from the finding that the non-helical alpha1(IV) chain purified with EDTA-free buffer contained degraded polypeptides including NC1-size domain and showed an apparent inhibition against activated pro-MMP-9. This is the first report to show that a gelatin form of protein exists in vivo. PMID:14715239

  20. Quark helicity distributions from DIS and SIDIS at COMPASS

    NASA Astrophysics Data System (ADS)

    Matsuda, Tatsuro; Iwata, Takahiro; Horikawa, Naoaki; Hasegawa, Takeo; Ishimoto, Shigeru; Doshita, Norihiro; Horikawa, Kaori; Michigami, Takuma

    2009-10-01

    The COMPASS collaboration at CERN is measuring the spin structures of nucleon. At this meeting we will present the inclusive asymmetry A1,d and the semi-inclusive asymmetries A1,d^pi+, A1,d^pi- ,A1,d^K+, A1,d^K-measured in the polarized deep inelastic muon-deuteron scattering. The data cover the range Q^2>1GeV^2 and 0.004 helicity distributions extracted from the LO analysis using these results. The strange quark distribution is compatible with zero in the whole measured range.

  1. On the energy density of helical proteins.

    PubMed

    Barros, Manuel; Ferrández, Angel

    2014-12-01

    We solve the problem of determining the energy actions whose moduli space of extremals contains the class of Lancret helices with a prescribed slope. We first see that the energy density should be linear both in the total bending and in the total twisting, such that the ratio between the weights of them is the prescribed slope. This will give an affirmative answer to the conjecture stated in Barros and Ferrández (J Math Phys 50:103529, 2009). Then, we normalize to get the best choice for the helical energy. It allows us to show that the energy, for instance of a protein chain, does not depend on the slope and is invariant under homotopic changes of the cross section which determines the cylinder where the helix is lying. In particular, the energy of a helix is not arbitrary, but it is given as natural multiples of some basic quantity of energy. PMID:24390481

  2. Helical sense selective domains and enantiomeric superhelices generated by Langmuir-Schaefer deposition of an axially racemic chiral helical polymer

    NASA Astrophysics Data System (ADS)

    Rodríguez, R.; Ignés-Mullol, J.; Sagués, F.; Quiñoá, E.; Riguera, R.; Freire, F.

    2016-02-01

    The chiral polymer poly-(R)-1 behaves in solution, despite its chiral pendants, as a dynamic axially racemic (i.e., 1 : 1) mixture of left- and right-handed helices, but its deposition on graphite by a Langmuir-Schaefer (LS) technique leads to a helical sense-selective packing that forms separate enantiomeric domains of left- and right-handed helical chains observed by high resolution atomic force microscopy (AFM). The polymer structure within these domains is very uniform, seldom altered by the presence of reversals, grouped always in contiguous pairs maintaining a single helical sense along the polymer chain. The LS deposition technique has been shown to be crucial to obtain good quality monolayers from poly-(R)-1 and other poly(phenylacetylene)s (PPAs: poly-2, poly-3 and poly-4) with short pendants, where spin coating, drop casting and Langmuir-Blodgett (LB) failed, and suggests that this technique could be the method of choice for the preparation of 2D monolayers for high resolution AFM studies of PPAs with short pendants. Key helical parameters (i.e., sense, pitch, packing angle) are easily measured in this way.The chiral polymer poly-(R)-1 behaves in solution, despite its chiral pendants, as a dynamic axially racemic (i.e., 1 : 1) mixture of left- and right-handed helices, but its deposition on graphite by a Langmuir-Schaefer (LS) technique leads to a helical sense-selective packing that forms separate enantiomeric domains of left- and right-handed helical chains observed by high resolution atomic force microscopy (AFM). The polymer structure within these domains is very uniform, seldom altered by the presence of reversals, grouped always in contiguous pairs maintaining a single helical sense along the polymer chain. The LS deposition technique has been shown to be crucial to obtain good quality monolayers from poly-(R)-1 and other poly(phenylacetylene)s (PPAs: poly-2, poly-3 and poly-4) with short pendants, where spin coating, drop casting and Langmuir

  3. Helically linked mirror arrangement

    SciTech Connect

    Ranjan, P.

    1986-08-01

    A scheme is described for helical linking of mirror sections, which endeavors to combine the better features of toroidal and mirror devices by eliminating the longitudinal loss of mirror machines, having moderately high average ..beta.. and steady state operation. This scheme is aimed at a device, with closed magnetic surfaces having rotational transform for equilibrium, one or more axisymmetric straight sections for reduced radial loss, a simple geometrical axis for the links and an overall positive magnetic well depth for stability. We start by describing several other attempts at linking of mirror sections, made both in the past and the present. Then a description of our helically linked mirror scheme is given. This example has three identical straight sections connected by three sections having helical geometric axes. A theoretical analysis of the magnetic field and single-particle orbits in them leads to the conclusion that most of the passing particles would be confined in the device and they would have orbits independent of pitch angle under certain conditions. Numerical results are presented, which agree well with the theoretical results as far as passing particle orbits are concerned.

  4. Helical currents in metallic Rashba strips

    NASA Astrophysics Data System (ADS)

    Hamad, Ignacio J.; Gazza, Claudio J.; Riera, José A.

    2016-05-01

    We study the texture of helical currents in metallic planar strips in the presence of Rashba spin-orbit coupling (RSOC) on the lattice at zero temperature. In the noninteracting case and in the absence of external electromagnetic sources, we determine, by exact numerical diagonalization of the single-particle Hamiltonian, the distribution across the strip section of these Rashba helical currents (RHC) as well as their sign oscillation, as a function of the RSOC strength, strip width, electron filling, and strip boundary conditions. Then, we study the effects of charge currents introduced into the system by an Aharonov-Bohm flux for the case of rings or by a voltage bias in the case of open strips. The former setup is studied by variational Monte Carlo, and the latter by the time-dependent density-matrix renormalization-group technique. Particularly for strips formed by two, three, and four coupled chains, we show how these RHC vary in the presence of such induced charge current, and how their differences between spin-up and spin-down electron currents on each chain help to explain the distribution across the strip of charge currents, both of the spin-conserving and the spin-flipping types. We also predict the appearance of polarized charge currents on each chain. Finally, we show that these Rashba helical currents and their derived features remain in the presence of an on-site Hubbard repulsion as long as the system remains metallic, at quarter filling, and even at half filling where a Mott-Hubbard metal-insulator transition occurs for large Hubbard repulsion.

  5. Polymers encapsulated in short single wall carbon nanotubes: pseudo-1D morphologies and induced chirality.

    PubMed

    Kumar, Sunil; Pattanayek, Sudip K; Pereira, Gerald G

    2015-03-21

    Molecular dynamics simulations are performed to investigate the stable morphologies of semi-flexible polymer chains within a single wall carbon nanotube (CNT). We characterize these morphologies with a variety of measures. Due to the different curvature inside the CNT to outside, there are increased numbers of polymer-CNT bead contacts for polymers which reside inside the CNT. A sufficiently long polymer chain first adsorbs on the exterior of the nanotube and subsequently moves inside the cavity of the nanotube. At equilibrium, the polymer configuration consists of a central stem surrounded by helically wrapped layers. Sections of the polymer outside the CNT have helical conformations (for CNTs of small radius) or circular arrangements (for CNTs of larger radius). Polymers encapsulated within the CNT have an increased chirality due to packing of the beads and this chirality is further enhanced for moderately stiff chains. PMID:25796260

  6. Vought F4U-1D Corsair

    NASA Technical Reports Server (NTRS)

    1945-01-01

    Vought F4U-1D Corsair: In February and March of 1945 this Corsair was examined in the NACA's 30 x 60 Full Scale Tunnel at Langley Field. The F4U-1D has rockets mounted on its wings for this test. After installation and during testing, the wings would be lowered to their flight position.

  7. Hydrodynamic interactions between rotating helices.

    PubMed

    Kim, MunJu; Powers, Thomas R

    2004-06-01

    Escherichia coli bacteria use rotating helical flagella to swim. At this scale, viscous effects dominate inertia, and there are significant hydrodynamic interactions between nearby helices. These interactions cause the flagella to bundle during the "runs" of bacterial chemotaxis. Here we use slender-body theory to solve for the flow fields generated by rigid helices rotated by stationary motors. We determine how the hydrodynamic forces and torques depend on phase and phase difference, show that rigid helices driven at constant torque do not synchronize, and solve for the flows. We also use symmetry arguments based on kinematic reversibility to show that for two rigid helices rotating with zero phase difference, there is no time-averaged attractive or repulsive force between the helices. PMID:15244620

  8. Buckling transition in long α-helices

    SciTech Connect

    Palenčár, Peter; Bleha, Tomáš

    2014-11-07

    The treatment of bending and buckling of stiff biopolymer filaments by the popular worm-like chain model does not provide adequate understanding of these processes at the microscopic level. Thus, we have used the atomistic molecular-dynamic simulations and the Amber03 force field to examine the compression buckling of α-helix (AH) filaments at room temperature. It was found that the buckling instability occurs in AHs at the critical force f{sub c} in the range of tens of pN depending on the AH length. The decrease of the force f{sub c} with the contour length follows the prediction of the classic thin rod theory. At the force f{sub c} the helical filament undergoes the swift and irreversible transition from the smoothly bent structure to the buckled one. A sharp kink in the AH contour arises at the transition, accompanied by the disruption of the hydrogen bonds in its vicinity. The kink defect brings in an effective softening of the AH molecule at buckling. Nonbonded interactions between helical branches drive the rearrangement of a kinked AH into the ultimate buckled structure of a compact helical hairpin described earlier in the literature.

  9. Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2‧ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

    NASA Astrophysics Data System (ADS)

    Mudsainiyan, R. K.; Jassal, Amanpreet Kaur; Chawla, S. K.

    2015-05-01

    The 1-D polymeric complex (I) is having formula [Mn(2,2‧-BP).(N3)2]n, which has been crystallized in distilled water and characterized by elemental analyses, FT-IR spectrum, powder X-ray diffraction analyses and single-crystal diffraction analysis. This polymer possesses 1D helical chains or coils where Mn-azide-Mn forms the base of the coil which is alternatively garlanded by rigid bi-pyridine rings, where coordinates are in anti-fashion. The Mn (II) ions in the repeating units are linked by two end-on azide groups which extend through the two end-to-end azide ligands to the next unit forming a 1-D polymeric chain. The present study suggests that the use of this rigid and neutral building block leads to give better arrangement of the polymeric motif with [010] chains in 2-c uninodal net. During investigation of strong or weak intermolecular interactions, X-ray diffraction analysis and Hirshfeld surface analysis give rise to comparable results but in Hirshfeld surface analysis, two-third times more results of close contacts are obtained. The fingerprint plots demonstrate that these weak non-bonding interactions are important for stabilizing the crystal packing. Magnetic properties of the complex (I) were analyzed on the basis of an alternating ferro- and antiferromagnetic Heisenberg chain of Mn (II) ions. The J-exchange parameters found are J1=64.3 K (45.3 cm-1), and J2=-75.7 K (-53.3 cm-1). Magnetic properties are discussed in comparison with those of other similar molecular magnets of [Mn(L-L)(N3)2]n type.

  10. Conservation of helicity in superfluids

    NASA Astrophysics Data System (ADS)

    Kedia, Hridesh; Kleckner, Dustin; Proment, Davide; Irvine, William T. M.

    2015-03-01

    Helicity arises as a special conserved quantity in ideal fluids, in addition to energy, momentum and angular momentum. As a measure of the knottedness of vortex lines, Helicity provides an important tool for studying a wide variety of physical systems such as plasmas and turbulent fluids. Superfluids flow without resistance just like ideal (Euler) fluids, making it natural to ask whether their knottedness is similarly preserved. We address the conservation of helicity in superfluids theoretically and examine its consequences in numerical simulations.

  11. Lipid-Rhodopsin Hydrophobic Mismatch Alters Rhodopsin Helical Content

    SciTech Connect

    Soubias,O.; Niu, S.; Mitchell, D.; Gawrisch, K.

    2008-01-01

    The ability of photoactivated rhodopsin to achieve the enzymatically active metarhodopsin II conformation is exquisitely sensitive to bilayer hydrophobic thickness. The sensitivity of rhodopsin to the lipid matrix has been explained by the hydrophobic matching theory, which predicts that lipid bilayers adjust elastically to the hydrophobic length of transmembrane helices. Here, we examined if bilayer thickness adjusts to the length of the protein or if the protein alters its conformation to adapt to the bilayer. Purified bovine rhodopsin was reconstituted into a series of mono-unsaturated phosphatidylcholines with 14-20 carbons per hydrocarbon chain. Changes of hydrocarbon chain length were measured by 2H NMR, and protein helical content was quantified by synchrotron radiation circular dichroism and conventional circular dichroism. Experiments were conducted on dark-adapted rhodopsin, the photo-intermediates metarhodopsin I/II/III, and opsin. Changes of bilayer thickness upon rhodopsin incorporation and photoactivation were mostly absent. In contrast, the helical content of rhodopsin increased with membrane hydrophobic thickness. Helical content did not change measurably upon photoactivation. The increases of bilayer thickness and helicity of rhodopsin are accompanied by higher metarhodopsin II/metarhodopsin I ratios, faster rates of metarhodopsin II formation, an increase of tryptophan fluorescence, and higher temperatures of rhodopsin denaturation. The data suggest a surprising adaptability of this G protein-coupled membrane receptor to properties of the lipid matrix.

  12. Relativistic helicity and link in Minkowski space-time

    SciTech Connect

    Yoshida, Z.; Kawazura, Y.; Yokoyama, T.

    2014-04-15

    A relativistic helicity has been formulated in the four-dimensional Minkowski space-time. Whereas the relativistic distortion of space-time violates the conservation of the conventional helicity, the newly defined relativistic helicity conserves in a barotropic fluid or plasma, dictating a fundamental topological constraint. The relation between the helicity and the vortex-line topology has been delineated by analyzing the linking number of vortex filaments which are singular differential forms representing the pure states of Banach algebra. While the dimension of space-time is four, vortex filaments link, because vorticities are primarily 2-forms and the corresponding 2-chains link in four dimension; the relativistic helicity measures the linking number of vortex filaments that are proper-time cross-sections of the vorticity 2-chains. A thermodynamic force yields an additional term in the vorticity, by which the vortex filaments on a reference-time plane are no longer pure states. However, the vortex filaments on a proper-time plane remain to be pure states, if the thermodynamic force is exact (barotropic), thus, the linking number of vortex filaments conserves.

  13. The Use of Helical Net-Diagrams to Represent Protein Structures

    PubMed Central

    Dunnill, P.

    1968-01-01

    The arrangement of side chains in α-helical regions of protein can be represented by helical net-diagrams. The addition of quantitative indices of the character of the residue at each net-point facilitates a straightforward examination of the groupings of residues of different character. As such the method complements that of Schiffer and Edmundson (1967). In addition, the reasons for non-helicity in some regions may be seen to be correlated with particular side-chain distributions. The method is illustrated with respect to myoglobin and lysozyme. PMID:5699810

  14. Helical sense selective domains and enantiomeric superhelices generated by Langmuir-Schaefer deposition of an axially racemic chiral helical polymer.

    PubMed

    Rodríguez, R; Ignés-Mullol, J; Sagués, F; Quiñoá, E; Riguera, R; Freire, F

    2016-02-14

    The chiral polymer poly-(R)-1 behaves in solution, despite its chiral pendants, as a dynamic axially racemic (i.e., 1 : 1) mixture of left- and right-handed helices, but its deposition on graphite by a Langmuir-Schaefer (LS) technique leads to a helical sense-selective packing that forms separate enantiomeric domains of left- and right-handed helical chains observed by high resolution atomic force microscopy (AFM). The polymer structure within these domains is very uniform, seldom altered by the presence of reversals, grouped always in contiguous pairs maintaining a single helical sense along the polymer chain. The LS deposition technique has been shown to be crucial to obtain good quality monolayers from poly-(R)-1 and other poly(phenylacetylene)s (PPAs: poly-2, poly-3 and poly-4) with short pendants, where spin coating, drop casting and Langmuir-Blodgett (LB) failed, and suggests that this technique could be the method of choice for the preparation of 2D monolayers for high resolution AFM studies of PPAs with short pendants. Key helical parameters (i.e., sense, pitch, packing angle) are easily measured in this way. PMID:26791332

  15. Helical tomotherapy quality assurance.

    PubMed

    Balog, John; Soisson, Emilie

    2008-01-01

    Helical tomotherapy uses a dynamic delivery in which the gantry, treatment couch, and multileaf collimator leaves are all in motion during treatment. This results in highly conformal radiotherapy, but the complexity of the delivery is partially hidden from the end-user because of the extensive integration and automation of the tomotherapy control systems. This presents a challenge to the medical physicist who is expected to be both a system user and an expert, capable of verifying relevant aspects of treatment delivery. A related issue is that a clinical tomotherapy planning system arrives at a customer's site already commissioned by the manufacturer, not by the clinical physicist. The clinical physicist and the manufacturer's representative verify the commissioning at the customer site before acceptance. Theoretically, treatment could begin immediately after acceptance. However, the clinical physicist is responsible for the safe and proper use of the machine. In addition, the therapists and radiation oncologists need to understand the important machine characteristics before treatment can proceed. Typically, treatment begins about 2 weeks after acceptance. This report presents an overview of the tomotherapy system. Helical tomotherapy has unique dosimetry characteristics, and some of those features are emphasized. The integrated treatment planning, delivery, and patient-plan quality assurance process is described. A quality assurance protocol is proposed, with an emphasis on what a clinical medical physicist could and should check. Additionally, aspects of a tomotherapy quality assurance program that could be checked automatically and remotely because of its inherent imaging system and integrated database are discussed. PMID:18406907

  16. Helical Tomotherapy Quality Assurance

    SciTech Connect

    Balog, John Soisson, Emilie

    2008-05-01

    Helical tomotherapy uses a dynamic delivery in which the gantry, treatment couch, and multileaf collimator leaves are all in motion during treatment. This results in highly conformal radiotherapy, but the complexity of the delivery is partially hidden from the end-user because of the extensive integration and automation of the tomotherapy control systems. This presents a challenge to the medical physicist who is expected to be both a system user and an expert, capable of verifying relevant aspects of treatment delivery. A related issue is that a clinical tomotherapy planning system arrives at a customer's site already commissioned by the manufacturer, not by the clinical physicist. The clinical physicist and the manufacturer's representative verify the commissioning at the customer site before acceptance. Theoretically, treatment could begin immediately after acceptance. However, the clinical physicist is responsible for the safe and proper use of the machine. In addition, the therapists and radiation oncologists need to understand the important machine characteristics before treatment can proceed. Typically, treatment begins about 2 weeks after acceptance. This report presents an overview of the tomotherapy system. Helical tomotherapy has unique dosimetry characteristics, and some of those features are emphasized. The integrated treatment planning, delivery, and patient-plan quality assurance process is described. A quality assurance protocol is proposed, with an emphasis on what a clinical medical physicist could and should check. Additionally, aspects of a tomotherapy quality assurance program that could be checked automatically and remotely because of its inherent imaging system and integrated database are discussed.

  17. Stretch-Induced Helical Conformations in Poly(l-lysine)/Hyaluronic Acid Multilayers.

    PubMed

    Zahouani, Sarah; Chaumont, Alain; Senger, Bernard; Boulmedais, Fouzia; Schaaf, Pierre; Jierry, Loïc; Lavalle, Philippe

    2016-06-22

    We investigate the effect of stretching on the secondary structure of cross-linked poly(l-lysine)/hyaluronic acid (PLL/HA) multilayers. We show that stretching these films induces changes in the secondary structure of PLL chains. Our results suggest that not only α- but also 310-helices might form in the film under stretching. Such 310-helices have never been observed for PLL so far. These changes of the secondary structure of PLL are reversible, i.e., when returning to the nonstretched state one recovers the initial film structure. Using molecular dynamics simulations of chains composed of 20 l-lysine residues (PLL20), we find that these chains never adopt a helical conformation in water. In contrast, when the end-to-end distance of the chains is restrained to values smaller than the mean end-to-end distance of free chains, a distance domain rarely explored by the free chains, helical conformations become accessible. Moreover, the formation of not only α- but also 310-helices is predicted by the simulations. These results suggest that the change of the end-to-end distance of PLL chains in the stretched film is at the origin of the helix formation. PMID:26646202

  18. Magnetic design constraints of helical solenoids

    SciTech Connect

    Lopes, M. L.; Krave, S. T.; Tompkins, J. C.; Yonehara, K.; Flanagan, G.; Kahn, S. A.; Melconian, K.

    2015-01-30

    Helical solenoids have been proposed as an option for a Helical Cooling Channel for muons in a proposed Muon Collider. Helical solenoids can provide the required three main field components: solenoidal, helical dipole, and a helical gradient. In general terms, the last two are a function of many geometric parameters: coil aperture, coil radial and longitudinal dimensions, helix period and orbit radius. In this paper, we present design studies of a Helical Solenoid, addressing the geometric tunability limits and auxiliary correction system.

  19. Helicity patterns on the Sun

    NASA Astrophysics Data System (ADS)

    Pevtsov, A.

    Solar magnetic fields exhibit hemispheric preference for negative (pos- itive) helicity in northern (southern) hemisphere. The hemispheric he- licity rule, however, is not very strong, - the patterns of opposite sign helicity were observed on different spatial scales in each hemisphere. For instance, many individual sunspots exhibit patches of opposite he- licity inside the single polarity field. There are also helicity patterns on scales larger than the size of typical active region. Such patterns were observed in distribution of active regions with abnormal (for a give hemisphere) helicity, in large-scale photospheric magnetic fields and coronal flux systems. We will review the observations of large-scale pat- terns of helicity in solar atmosphere and their possible relationship with (sub-)photospheric processes. The emphasis will be on large-scale pho- tospheric magnetic field and solar corona.

  20. Winding light beams along elliptical helical trajectories

    NASA Astrophysics Data System (ADS)

    Wen, Yuanhui; Chen, Yujie; Zhang, Yanfeng; Chen, Hui; Yu, Siyuan

    2016-07-01

    Conventional caustic methods in real or Fourier space produced accelerating optical beams only with convex trajectories. We developed a superposition caustic method capable of winding light beams along nonconvex trajectories. We ascertain this method by constructing a one-dimensional (1D) accelerating beam moving along a sinusoidal trajectory, and subsequently extending to two-dimensional (2D) accelerating beams along arbitrarily elliptical helical trajectories. We experimentally implemented the method with a compact and robust integrated optics approach by fabricating micro-optical structures on quartz glass plates to perform the spatial phase and amplitude modulation to the incident light, generating beam trajectories highly consistent with prediction. The theoretical and implementation methods can in principle be extended to the construction of accelerating beams with a wide variety of nonconvex trajectories, thereby opening up a route of manipulating light beams for fundamental research and practical applications.

  1. The Advanced Helical Generator

    SciTech Connect

    Reisman, D B; Javedani, J B; Ellsworth, G F; Kuklo, R M; Goerz, D A; White, A D; Tallerico, L J; Gidding, D A; Murphy, M J; Chase, J B

    2009-10-26

    A high explosive pulsed power (HEPP) generator called the Advanced Helical Generator (AHG) has been designed, built, and successfully tested. The AHG incorporates design principles of voltage and current management to obtain a high current and energy gain. Its design was facilitated by the use of modern modeling tools as well as high precision manufacture. The result was a first-shot success. The AHG delivered 16 Mega-Amperes of current and 11 Mega-Joules of energy to a quasi-static 80 nH inductive load. A current gain of 154 times was obtained with a peak exponential rise time of 20 {micro}s. We will describe in detail the design and testing of the AHG.

  2. Potent neutralizing anti-CD1d antibody reduces lung cytokine release in primate asthma model

    PubMed Central

    Nambiar, Jonathan; Clarke, Adam W; Shim, Doris; Mabon, David; Tian, Chen; Windloch, Karolina; Buhmann, Chris; Corazon, Beau; Lindgren, Matilda; Pollard, Matthew; Domagala, Teresa; Poulton, Lynn; Doyle, Anthony G

    2015-01-01

    CD1d is a receptor on antigen-presenting cells involved in triggering cell populations, particularly natural killer T (NKT) cells, to release high levels of cytokines. NKT cells are implicated in asthma pathology and blockade of the CD1d/NKT cell pathway may have therapeutic potential. We developed a potent anti-human CD1d antibody (NIB.2) that possesses high affinity for human and cynomolgus macaque CD1d (KD ∼100 pM) and strong neutralizing activity in human primary cell-based assays (IC50 typically <100 pM). By epitope mapping experiments, we showed that NIB.2 binds to CD1d in close proximity to the interface of CD1d and the Type 1 NKT cell receptor β-chain. Together with data showing that NIB.2 inhibited stimulation via CD1d loaded with different glycolipids, this supports a mechanism whereby NIB.2 inhibits NKT cell activation by inhibiting Type 1 NKT cell receptor β-chain interactions with CD1d, independent of the lipid antigen in the CD1d antigen-binding cleft. The strong in vitro potency of NIB.2 was reflected in vivo in an Ascaris suum cynomolgus macaque asthma model. Compared with vehicle control, NIB.2 treatment significantly reduced bronchoalveolar lavage (BAL) levels of Ascaris-induced cytokines IL-5, IL-8 and IL-1 receptor antagonist, and significantly reduced baseline levels of GM-CSF, IL-6, IL-15, IL-12/23p40, MIP-1α, MIP-1β, and VEGF. At a cellular population level NIB.2 also reduced numbers of BAL lymphocytes and macrophages, and blood eosinophils and basophils. We demonstrate that anti-CD1d antibody blockade of the CD1d/NKT pathway modulates inflammatory parameters in vivo in a primate inflammation model, with therapeutic potential for diseases where the local cytokine milieu is critical. PMID:25751125

  3. Self-assembly of magnetite nanocubes into helical superstructures.

    PubMed

    Singh, Gurvinder; Chan, Henry; Baskin, Artem; Gelman, Elijah; Repnin, Nikita; Král, Petr; Klajn, Rafal

    2014-09-01

    Organizing inorganic nanocrystals into complex architectures is challenging and typically relies on preexisting templates, such as properly folded DNA or polypeptide chains. We found that under carefully controlled conditions, cubic nanocrystals of magnetite self-assemble into arrays of helical superstructures in a template-free manner with >99% yield. Computer simulations revealed that the formation of helices is determined by the interplay of van der Waals and magnetic dipole-dipole interactions, Zeeman coupling, and entropic forces and can be attributed to spontaneous formation of chiral nanocube clusters. Neighboring helices within their densely packed ensembles tended to adopt the same handedness in order to maximize packing, thus revealing a novel mechanism of symmetry breaking and chirality amplification. PMID:25061133

  4. Helical polyacetylene synthesized with a chiral nematic reaction field

    PubMed

    Akagi; Piao; Kaneko; Sakamaki; Shirakawa; Kyotani

    1998-11-27

    Helical polyacetylene was synthesized under an asymmetric reaction field consisting of chiral nematic (N*) liquid crystals (LCs). The chiral nematic LC was prepared by adding a chiroptical binaphthol derivative as a chiral dopant to a mixture of two nematic LCs. Acetylene polymerizations were carried out using the catalyst titanium tetra-n-butoxide-triethylaluminum dissolved in the chiral nematic LC solvent. The polyacetylene film was shown by scanning electron microscopy to consist of clockwise or counterclockwise helical structure of fibrils. A Cotton effect was observed in the region of the pi --> pi* transition of the polyacetylene chain in circular dichroism spectra. The high electrical conductivities of approximately 1500 to 1800 siemens per centimeter after iodine doping and the chiral helicity of these films may be exploited in electromagnetic and optical applications. PMID:9831554

  5. Theoretical study of the magnetic exchange interaction in catena-μ- Tris[oxalato(2-)-O 1,O 2;O 3,O 4]-dicopper complex with interlocked helical chains

    NASA Astrophysics Data System (ADS)

    Negodaev, Igor; Queralt, Núria; Caballol, Rosa; Graaf, Coen de

    2011-01-01

    The coupling of the spin moments has been studied in an oxalato-based 3D extended structure with Cu(II) ions as magnetic sites. The ab initio calculations reveal that two of the three different magnetic interaction paths are characterized by a strong coupling, while the third one presents weaker interaction. Based on these calculated values, the magnetic topology of the material is determined as an alternating chain with weak interchain coupling. A theoretical estimate of the temperature dependence of the magnetic susceptibility is derived from the diagonalization of the Heisenberg Hamiltonian for a multi-center magnetic model with boundary conditions. The theoretical procedure can serve as guide in an experimental determination of the magnetic coupling parameters in 3D extended structure with oxalato-bridges as found in the hexagonal layers of the bifunctional materials.

  6. Human laminin B2 chain

    SciTech Connect

    Pikkarainen, T.; Kallunki, T.; Tryggvason, K.

    1988-05-15

    The complete amino acid sequence of the human laminin B2 chains has been determined by sequencing of cDNA clones. The six overlapping clones studied cover approximately 7.5 kilobases of which 5312 nucleotides were sequenced from the 5' end. The open reading frame codes for a 33-residue signal peptide and a 1576-residue B2 chain proper, which is 189 residues less than in the highly homologous B1 chain. Computer analysis revealed that the B2 chain consists of distinct domains that contain helical structures, cysteine-rich repeats, and globular regions, as does the B1 chain. However, domain ..cap alpha.. and domain ..beta.. of the B1 chain have no counterpart in B2, and the number of cysteine-rich repeats is 12, or 1 less than in the B1 chain. The degree of homology between the two chains is highest in the cysteine repeat-containing domains III and V where 40% of the residues match. However, in helical domains I/II only 16% of residues match. The results demonstrate that the B1 and B2 chains of laminin are highly homologous proteins that are probably the products of related genes.

  7. Species Specific Differences of CD1d Oligomer Loading In Vitro

    PubMed Central

    Paletta, Daniel; Fichtner, Alina Suzann; Starick, Lisa; Porcelli, Steven A.; Savage, Paul B.; Herrmann, Thomas

    2015-01-01

    CD1d molecules are MHC class I-like molecules that present glycolipids to iNKT cells. The highly conserved interaction between CD1d:α-Galactosylceramide (αGC) complexes and the iNKT TCR not only defines this population of αβ T cells but can also be used for its direct identification. Therefore, CD1d oligomers are a widely used tool for iNKT cell related investigations. To this end, the lipid chains of the antigen have to be inserted into the hydrophobic pockets of the CD1d binding cleft, often with help of surfactants. In this study, we investigated the influence of different surfactants (Triton X-100, Tween 20, Tyloxapol) on in vitro loading of CD1d molecules derived from four different species (human, mouse, rat and cotton rat) with αGC and derivatives carrying modifications of the acyl-chain (DB01-1, PBS44) and a 6-acetamido-6-deoxy-addition at the galactosyl head group (PBS57). We also compared rat CD1d dimers with tetramers and staining of an iNKT TCR transductant was used as readout for loading efficacy. The results underlined the importance of CD1d loading efficacy for proper analysis of iNKT TCR binding and demonstrated the necessity to adjust loading conditions for each oligomer/glycolipid combination. The efficient usage of surfactants as a tool for CD1d loading was revealed to be species-specific and depending on the origin of the CD1d producing cells. Additional variation of surfactant-dependent loading efficacy between tested glycolipids was influenced by the acyl-chain length and the modification of the galactosyl head group with PBS57 showing the least dependence on surfactants and the lowest degree of species-dependent differences. PMID:26599805

  8. Helical supramolecular polymerization of C3-symmetric amides and retroamides: on the origin of cooperativity and handedness.

    PubMed

    Buendía, Julia; Calbo, Joaquín; García, Fátima; Aragó, Juan; Viruela, Pedro M; Ortí, Enrique; Sánchez, Luis

    2016-05-25

    The cooperative supramolecular polymerization of 1 and 2 yields P- or M-type helical aggregates depending on the absolute configuration (S or R) of the stereogenic centres attached to the side chains. The connectivity of the amide group does not affect the handedness of the helical aggregates, but determines a larger cooperativity for retroamides 1. PMID:27142262

  9. TCTEX1D2 mutations underlie Jeune asphyxiating thoracic dystrophy with impaired retrograde intraflagellar transport.

    PubMed

    Schmidts, Miriam; Hou, Yuqing; Cortés, Claudio R; Mans, Dorus A; Huber, Celine; Boldt, Karsten; Patel, Mitali; van Reeuwijk, Jeroen; Plaza, Jean-Marc; van Beersum, Sylvia E C; Yap, Zhi Min; Letteboer, Stef J F; Taylor, S Paige; Herridge, Warren; Johnson, Colin A; Scambler, Peter J; Ueffing, Marius; Kayserili, Hulya; Krakow, Deborah; King, Stephen M; Beales, Philip L; Al-Gazali, Lihadh; Wicking, Carol; Cormier-Daire, Valerie; Roepman, Ronald; Mitchison, Hannah M; Witman, George B

    2015-01-01

    The analysis of individuals with ciliary chondrodysplasias can shed light on sensitive mechanisms controlling ciliogenesis and cell signalling that are essential to embryonic development and survival. Here we identify TCTEX1D2 mutations causing Jeune asphyxiating thoracic dystrophy with partially penetrant inheritance. Loss of TCTEX1D2 impairs retrograde intraflagellar transport (IFT) in humans and the protist Chlamydomonas, accompanied by destabilization of the retrograde IFT dynein motor. We thus define TCTEX1D2 as an integral component of the evolutionarily conserved retrograde IFT machinery. In complex with several IFT dynein light chains, it is required for correct vertebrate skeletal formation but may be functionally redundant under certain conditions. PMID:26044572

  10. TCTEX1D2 mutations underlie Jeune asphyxiating thoracic dystrophy with impaired retrograde intraflagellar transport

    PubMed Central

    Schmidts, Miriam; Hou, Yuqing; Cortés, Claudio R.; Mans, Dorus A.; Huber, Celine; Boldt, Karsten; Patel, Mitali; van Reeuwijk, Jeroen; Plaza, Jean-Marc; van Beersum, Sylvia E. C.; Yap, Zhi Min; Letteboer, Stef J. F.; Taylor, S. Paige; Herridge, Warren; Johnson, Colin A.; Scambler, Peter J.; Ueffing, Marius; Kayserili, Hulya; Krakow, Deborah; King, Stephen M.; Beales, Philip L.; Al-Gazali, Lihadh; Wicking, Carol; Cormier-Daire, Valerie; Roepman, Ronald; Mitchison, Hannah M.; Witman, George B.; Al-Turki, Saeed; Anderson, Carl; Anney, Richard; Antony, Dinu; Asimit, Jennifer; Ayub, Mohammad; Barrett, Jeff; Barroso, Inês; Bentham, Jamie; Bhattacharya, Shoumo; Blackwood, Douglas; Bobrow, Martin; Bochukova, Elena; Bolton, Patrick; Boustred, Chris; Breen, Gerome; Brion, Marie-Jo; Brown, Andrew; Calissano, Mattia; Carss, Keren; Chatterjee, Krishna; Chen, Lu; Cirak, Sebhattin; Clapham, Peter; Clement, Gail; Coates, Guy; Collier, David; Cosgrove, Catherine; Cox, Tony; Craddock, Nick; Crooks, Lucy; Curran, Sarah; Daly, Allan; Danecek, Petr; Smith, George Davey; Day-Williams, Aaron; Day, Ian; Durbin, Richard; Edkins, Sarah; Ellis, Peter; Evans, David; Farooqi, I. Sadaf; Fatemifar, Ghazaleh; Fitzpatrick, David; Flicek, Paul; Floyd, Jamie; Foley, A. Reghan; Franklin, Chris; Futema, Marta; Gallagher, Louise; Gaunt, Tom; Geschwind, Daniel; Greenwood, Celia; Grozeva, Detelina; Guo, Xiaosen; Gurling, Hugh; Hart, Deborah; Hendricks, Audrey; Holmans, Peter; Huang, Jie; Humphries, Steve E.; Hurles, Matt; Hysi, Pirro; Jackson, David; Jamshidi, Yalda; Jewell, David; Chris, Joyce; Kaye, Jane; Keane, Thomas; Kemp, John; Kennedy, Karen; Kent, Alastair; Kolb-Kokocinski, Anja; Lachance, Genevieve; Langford, Cordelia; Lee, Irene; Li, Rui; Li, Yingrui; Ryan, Liu; Lönnqvist, Jouko; Lopes, Margarida; MacArthur, Daniel G.; Massimo, Mangino; Marchini, Jonathan; Maslen, John; McCarthy, Shane; McGuffin, Peter; McIntosh, Andrew; McKechanie, Andrew; McQuillin, Andrew; Memari, Yasin; Metrustry, Sarah; Min, Josine; Moayyeri, Alireza; Morris, James; Muddyman, Dawn; Muntoni, Francesco; Northstone, Kate; O'Donovan, Michael; O'Rahilly, Stephen; Onoufriadis, Alexandros; Oualkacha, Karim; Owen, Michael; Palotie, Aarno; Panoutsopoulou, Kalliope; Parker, Victoria; Parr, Jeremy; Paternoster, Lavinia; Paunio, Tiina; Payne, Felicity; Perry, John; Pietilainen, Olli; Plagnol, Vincent; Quail, Michael A.; Quaye, Lydia; Raymond, Lucy; Rehnström, Karola; Brent Richards, J.; Ring, Sue; Ritchie, Graham R S; Savage, David B.; Schoenmakers, Nadia; Semple, Robert K.; Serra, Eva; Shihab, Hashem; Shin, So-Youn; Skuse, David; Small, Kerrin; Smee, Carol; Soler, Artigas María; Soranzo, Nicole; Southam, Lorraine; Spector, Tim; St Pourcain, Beate; St. Clair, David; Stalker, Jim; Surdulescu, Gabriela; Suvisaari, Jaana; Tachmazidou, Ioanna; Tian, Jing; Timpson, Nic; Tobin, Martin; Valdes, Ana; van Kogelenberg, Margriet; Vijayarangakannan, Parthiban; Wain, Louise; Walter, Klaudia; Wang, Jun; Ward, Kirsten; Wheeler, Ellie; Whittall, Ros; Williams, Hywel; Williamson, Kathy; Wilson, Scott G.; Wong, Kim; Whyte, Tamieka; ChangJiang, Xu; Zeggini, Eleftheria; Zhang, Feng; Zheng, Hou-Feng

    2015-01-01

    The analysis of individuals with ciliary chondrodysplasias can shed light on sensitive mechanisms controlling ciliogenesis and cell signalling that are essential to embryonic development and survival. Here we identify TCTEX1D2 mutations causing Jeune asphyxiating thoracic dystrophy with partially penetrant inheritance. Loss of TCTEX1D2 impairs retrograde intraflagellar transport (IFT) in humans and the protist Chlamydomonas, accompanied by destabilization of the retrograde IFT dynein motor. We thus define TCTEX1D2 as an integral component of the evolutionarily conserved retrograde IFT machinery. In complex with several IFT dynein light chains, it is required for correct vertebrate skeletal formation but may be functionally redundant under certain conditions. PMID:26044572

  11. Twist Helicity in Classical Vortices

    NASA Astrophysics Data System (ADS)

    Scheeler, Martin W.; Kedia, Hridesh; Kleckner, Dustin; Irvine, William T. M.

    2015-11-01

    Recent experimental work has demonstrated that a partial measure of fluid Helicity (the sum of linking and writhing of vortex tubes) is conserved even as those vortices undergo topology changing reconnections. Measuring the total Helicity, however, requires additional information about how the vortex lines are locally twisted inside the vortex core. To bridge this gap, we have developed a novel technique for experimentally measuring twist Helicity. Using this method, we are able to measure the production and eventual decay of twist for a variety of vortex evolutions. Remarkably, we observe twist dynamics capable of conserving total Helicity even in the presence of rapidly changing writhe. This work was supported by the NSF MRSEC shared facilities at the University of Chicago (DMR-0820054) and an NSF CAREER award (DMR-1351506). W.T.M.I. further acknowledges support from the A.P. Sloan Foundation and the Packard Foundation.

  12. Helicity multiplexed broadband metasurface holograms

    PubMed Central

    Wen, Dandan; Yue, Fuyong; Li, Guixin; Zheng, Guoxing; Chan, Kinlong; Chen, Shumei; Chen, Ming; Li, King Fai; Wong, Polis Wing Han; Cheah, Kok Wai; Yue Bun Pun, Edwin; Zhang, Shuang; Chen, Xianzhong

    2015-01-01

    Metasurfaces are engineered interfaces that contain a thin layer of plasmonic or dielectric nanostructures capable of manipulating light in a desirable manner. Advances in metasurfaces have led to various practical applications ranging from lensing to holography. Metasurface holograms that can be switched by the polarization state of incident light have been demonstrated for achieving polarization multiplexed functionalities. However, practical application of these devices has been limited by their capability for achieving high efficiency and high image quality. Here we experimentally demonstrate a helicity multiplexed metasurface hologram with high efficiency and good image fidelity over a broad range of frequencies. The metasurface hologram features the combination of two sets of hologram patterns operating with opposite incident helicities. Two symmetrically distributed off-axis images are interchangeable by controlling the helicity of the input light. The demonstrated helicity multiplexed metasurface hologram with its high performance opens avenues for future applications with functionality switchable optical devices. PMID:26354497

  13. Helicity multiplexed broadband metasurface holograms.

    PubMed

    Wen, Dandan; Yue, Fuyong; Li, Guixin; Zheng, Guoxing; Chan, Kinlong; Chen, Shumei; Chen, Ming; Li, King Fai; Wong, Polis Wing Han; Cheah, Kok Wai; Pun, Edwin Yue Bun; Zhang, Shuang; Chen, Xianzhong

    2015-01-01

    Metasurfaces are engineered interfaces that contain a thin layer of plasmonic or dielectric nanostructures capable of manipulating light in a desirable manner. Advances in metasurfaces have led to various practical applications ranging from lensing to holography. Metasurface holograms that can be switched by the polarization state of incident light have been demonstrated for achieving polarization multiplexed functionalities. However, practical application of these devices has been limited by their capability for achieving high efficiency and high image quality. Here we experimentally demonstrate a helicity multiplexed metasurface hologram with high efficiency and good image fidelity over a broad range of frequencies. The metasurface hologram features the combination of two sets of hologram patterns operating with opposite incident helicities. Two symmetrically distributed off-axis images are interchangeable by controlling the helicity of the input light. The demonstrated helicity multiplexed metasurface hologram with its high performance opens avenues for future applications with functionality switchable optical devices. PMID:26354497

  14. DESIGN PACKAGE 1D SYSTEM SAFETY ANALYSIS

    SciTech Connect

    L.R. Eisler

    1995-02-02

    The purpose of this analysis is to systematically identify and evaluate hazards related to the Yucca Mountain Project Exploratory Studies Facility (ESF) Design Package 1D, Surface Facilities, (for a list of design items included in the package 1D system safety analysis see section 3). This process is an integral part of the systems engineering process; whereby safety is considered during planning, design, testing, and construction. A largely qualitative approach was used since a radiological System Safety analysis is not required. The risk assessment in this analysis characterizes the accident scenarios associated with the Design Package 1D structures/systems/components in terms of relative risk and includes recommendations for mitigating all identified risks. The priority for recommending and implementing mitigation control features is: (1) Incorporate measures to reduce risks and hazards into the structure/system/component (S/S/C) design, (2) add safety devices and capabilities to the designs that reduce risk, (3) provide devices that detect and warn personnel of hazardous conditions, and (4) develop procedures and conduct training to increase worker awareness of potential hazards, on methods to reduce exposure to hazards, and on the actions required to avoid accidents or correct hazardous conditions. The scope of this analysis is limited to the Design Package 1D structures/systems/components (S/S/Cs) during normal operations excluding hazards occurring during maintenance and ''off normal'' operations.

  15. Employing helicity amplitudes for resummation

    NASA Astrophysics Data System (ADS)

    Moult, Ian; Stewart, Iain W.; Tackmann, Frank J.; Waalewijn, Wouter J.

    2016-05-01

    Many state-of-the-art QCD calculations for multileg processes use helicity amplitudes as their fundamental ingredients. We construct a simple and easy-to-use helicity operator basis in soft-collinear effective theory (SCET), for which the hard Wilson coefficients from matching QCD onto SCET are directly given in terms of color-ordered helicity amplitudes. Using this basis allows one to seamlessly combine fixed-order helicity amplitudes at any order they are known with a resummation of higher-order logarithmic corrections. In particular, the virtual loop amplitudes can be employed in factorization theorems to make predictions for exclusive jet cross sections without the use of numerical subtraction schemes to handle real-virtual infrared cancellations. We also discuss matching onto SCET in renormalization schemes with helicities in 4- and d -dimensions. To demonstrate that our helicity operator basis is easy to use, we provide an explicit construction of the operator basis, as well as results for the hard matching coefficients, for p p →H +0 , 1, 2 jets, p p →W /Z /γ +0 , 1, 2 jets, and p p →2 , 3 jets. These operator bases are completely crossing symmetric, so the results can easily be applied to processes with e+e- and e-p collisions.

  16. Folding-promoted methylation of a helical DMAP analogue.

    PubMed

    Heemstra, Jennifer M; Moore, Jeffrey S

    2004-02-18

    The methylation rate for a series of pyridine-containing phenylene ethynylene oligomers shows a nonlinear dependence on chain length, with a significant rate enhancement observed for oligomers that adopt a folded, helical conformation. The folded structure provides a microenvironment that lowers the energy barrier for the methylation reaction. Of these noncovalent interactions, the largest stabilization may arise from binding of methyl iodide in the hydrophobic cavity of the folded oligomer, in close proximity to the pyridine nucleophile. PMID:14871092

  17. Helical Folding Competing with Unfolded Aggregation in Phenylene Ethynylene Foldamers.

    PubMed

    Luo, Zhouyang; Zhu, Ningbo; Zhao, Dahui

    2016-07-25

    The folding and aggregation behavior of a pair of oligo(phenylene ethynylene) (OPE) foldamers are investigated by means of UV/Vis absorption and circular dichroism spectroscopy. With identical OPE backbones, two foldamers, 1 with alkyl side groups and 2 with triethylene glycol side chains, manifest similar helical conformations in solutions in n-hexane and methanol, respectively. However, disparate and competing folding and aggregation processes are observed in alternative solvents. In cyclohexane, oligomer 1 initially adopts the helical conformation, but the self-aggregation of unfolded chains, as a minor component, gradually drives the folding-unfolding transition eventually to the unfolded aggregate state completely. In contrast, in aqueous solution (CH3 OH/H2 O) both folded and unfolded oligomer 2 appear to undergo self-association; aggregates of the folded chains are thermodynamically more stable. In solutions with a high H2 O content, self-aggregation among unfolded oligomers is kinetically favored; these oligomers very slowly transform into aggregates of helical structures with greater thermodynamic stability. The folded-unfolded conformational switch thus takes place with the free (nonaggregated) molecules, and the very slow folding transition is due to the low concentration of molecularly dispersed oligomers. PMID:27374725

  18. Preparation of 1D nanostructures using biomolecules

    NASA Astrophysics Data System (ADS)

    Pruneanu, Stela; Olenic, Liliana; Barbu Tudoran, Lucian; Kacso, Irina; Farha Al-Said, Said A.; Hassanien, Reda; Houlton, Andrew; Horrocks, Benjamin R.

    2009-08-01

    In this paper we have shown that one-dimensional (1D) particle arrays can be obtained using biomolecules, like DNA or amino-acids. Nano-arrays of silver and gold were prepared in a single-step synthesis, by exploiting the binding abilities of λ-DNA and L-Arginine. The morphology and optical properties of these nanostructures were investigated using AFM, TEM and UV-Vis absorption spectroscopy.

  19. Transferability of different classical force fields for right and left handed α-helices constructed from enantiomeric amino acids.

    PubMed

    Biswas, Santu; Sarkar, Sujit; Pandey, Prithvi Raj; Roy, Sudip

    2016-02-21

    Amino acids can form d and l enantiomers, of which the l enantiomer is abundant in nature. The naturally occurring l enantiomer has a greater preference for a right handed helical conformation, and the d enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the l enantiomers and right handed helical conformations of the d enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from d and l enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 α-helical polypeptides (4 amino acids × 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters. PMID:26863595

  20. Centrosome Positioning in 1D Cell Migration

    NASA Astrophysics Data System (ADS)

    Adlerz, Katrina; Aranda-Espinoza, Helim

    During cell migration, the positioning of the centrosome and nucleus define a cell's polarity. For a cell migrating on a two-dimensional substrate the centrosome is positioned in front of the nucleus. Under one-dimensional confinement, however, the centrosome is positioned behind the nucleus in 60% of cells. It is known that the centrosome is positioned by CDC42 and dynein for cells moving on a 2D substrate in a wound-healing assay. It is currently unknown, however, if this is also true for cells moving under 1D confinement, where the centrosome position is often reversed. Therefore, centrosome positioning was studied in cells migrating under 1D confinement, which mimics cells migrating through 3D matrices. 3 to 5 μm fibronectin lines were stamped onto a glass substrate and cells with fluorescently labeled nuclei and centrosomes migrated on the lines. Our results show that when a cell changes directions the centrosome position is maintained. That is, when the centrosome is between the nucleus and the cell's trailing edge and the cell changes direction, the centrosome will be translocated across the nucleus to the back of the cell again. A dynein inhibitor did have an influence on centrosome positioning in 1D migration and change of directions.

  1. Coalescence phenomena in 1D silver nanostructures

    NASA Astrophysics Data System (ADS)

    Gutiérrez-Wing, C.; Pérez-Alvarez, M.; Mondragón-Galicia, G.; Arenas-Alatorre, J.; Gutiérrez-Wing, M. T.; Henk, M. C.; Negulescu, I. I.; Rusch, K. A.

    2009-07-01

    Different coalescence processes on 1D silver nanostructures synthesized by a PVP assisted reaction in ethylene glycol at 160 °C were studied experimentally and theoretically. Analysis by TEM and HRTEM shows different defects found on the body of these materials, suggesting that they were induced by previous coalescence processes in the synthesis stage. TEM observations showed that irradiation with the electron beam eliminates the boundaries formed near the edges of the structures, suggesting that this process can be carried out by the application of other means of energy (i.e. thermal). These results were also confirmed by theoretical calculations by Monte Carlo simulations using a Sutton-Chen potential. A theoretical study by molecular dynamics simulation of the different coalescence processes on 1D silver nanostructures is presented, showing a surface energy driven sequence followed to form the final coalesced structure. Calculations were made at 1000-1300 K, which is near the melting temperature of silver (1234 K). Based on these results, it is proposed that 1D nanostructures can grow through a secondary mechanism based on coalescence, without losing their dimensionality.

  2. An unprecedented 3D POM-Ag architecture with intertwined and homological helical structures.

    PubMed

    Sha, Jing-Quan; Li, Meng-Ting; Sun, Jing-Wen; Zhang, Yu-Nan; Yan, Peng-Fei; Li, Guang-Ming

    2013-06-01

    A new hybrid compound, Na[Ag6(pyttz)2(H2O)][PMo12O40] (pyttz = 3-(pyrid-3-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl), has been hydrothermally synthesized and structurally characterized by routine techniques. X-ray diffraction analysis reveals that the title compound is constructed by the 2D Ag-pyttz coordination polymer and 3D Ag-POM architecture with helix. A fascinating structural feature is the assembling fashion of the right- and left-helical chain, namely, the helical chains with different orientations are intertwined with each other forming intertwined double helical layers along the c-axis, and the identical left- or right-handed helical chains are fused together in a hand-by-hand mode generating another homological helical layer along the a-axis. As a result, these helical layers intersect each other obtaining an unprecedented 3D POM-Ag inorganic architecture. Note that the 3D framework with a helix constructed by POMs and metal ions has never been observed up to date. Additionally, its photocatalytic degradation of RhB was also investigated. PMID:23558903

  3. Selective control for helical microswimmers

    NASA Astrophysics Data System (ADS)

    Katsamba, Panayiota; Lauga, Eric

    2015-11-01

    One of the greatest aspirations for artificial microswimmers is their application in non-invasive medicine. For any practical use, adequate mechanisms enabling control of multiple artificial swimmers is of paramount importance. Here we propose a multi-helical, freely-jointed motor as a novel selective control mechanism. We show that the nonlinear step-out behavior of a magnetized helix driven by a rotating magnetic field can be exploited, when used in conjunction with other helices, to obtain a velocity profile that is non-negligible only within a chosen interval of operating frequencies. Specifically, the force balance between the competing opposite-handed helices is tuned to give no net motion at low frequencies while in the middle frequency range, the swimming velocity increases monotonically with the driving frequency if two opposite helices are used, thereby allowing speed adjustment by varying the driving frequency. We illustrate this idea in detail on a two-helix system, and demonstrate how to generalize to N helices, both numerically and theoretically. We finish by explaining how to solve the inverse problem and design an artificial swimmer with an arbitrarily-complex velocity vs. frequency relationship.

  4. Flexible helical-axis stellarator

    DOEpatents

    Harris, Jeffrey H.; Hender, Timothy C.; Carreras, Benjamin A.; Cantrell, Jack L.; Morris, Robert N.

    1988-01-01

    An 1=1 helical winding which spirals about a conventional planar, circular central conductor of a helical-axis stellarator adds a significant degree of flexibility by making it possible to control the rotational transform profile and shear of the magnetic fields confining the plasma in a helical-axis stellarator. The toroidal central conductor links a plurality of toroidal field coils which are separately disposed to follow a helical path around the central conductor in phase with the helical path of the 1=1 winding. This coil configuration produces bean-shaped magnetic flux surfaces which rotate around the central circular conductor in the same manner as the toroidal field generating coils. The additional 1=1 winding provides flexible control of the magnetic field generated by the central conductor to prevent the formation of low-order resonances in the rotational transform profile which can produce break-up of the equilibrium magnetic surfaces. Further, this additional winding can deepen the magnetic well which together with the flexible control provides increased stability.

  5. Helicity Injected Torus Program Overview

    NASA Astrophysics Data System (ADS)

    Redd, A. J.; Jarboe, T. R.; Aboulhosn, R. Z.; Akcay, C.; Hamp, W. T.; Marklin, G.; Nelson, B. A.; O'Neill, R. G.; Raman, R.; Sieck, P. E.; Smith, R. J.; Sutphin, G. L.; Wrobel, J. S.; Mueller, D.; Roquemore, L.

    2006-10-01

    The Helicity Injected Torus with Steady Inductive Helicity Injection (HIT--SI) spheromak experiment [Sieck, Nucl. Fusion v.46, p.254 (2006)] addresses critical issues for spheromaks, including current drive, high-beta operation, confinement quality and efficient steady-state operation. HIT--SI has a ``bow-tie'' shaped axisymmetric confinement region (major radius R=0.33 m, axial extent of 0.57 m) and two half-torus helicity injectors, one mounted on each end of the flux conserver. HIT--SI has produced spheromaks with up to 30 kA of toroidal current, using less than 4 MW of applied power, demonstrating that Steady Inductive Helicity Injection can generate and sustain discharges with modest power requirements. Fast camera images of HIT--SI discharges indicate a toroidally rotating n=1 structure, driven by the helicity injectors. The direction of the toroidal current is determined by the direction of rotation of the driven n=1. Measured surface and internal magnetic fields in HIT--SI discharges are consistent with that of the true 3D Taylor state, including the injectors. Recent HIT--SI physics studies, diagnostic improvements and machine upgrades will also be summarized.

  6. Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

    SciTech Connect

    Mudsainiyan, R.K. Jassal, Amanpreet Kaur; Chawla, S.K.

    2015-05-15

    The 1-D polymeric complex (I) is having formula [Mn(2,2′-BP).(N{sub 3}){sub 2}]{sub n}, which has been crystallized in distilled water and characterized by elemental analyses, FT-IR spectrum, powder X-ray diffraction analyses and single-crystal diffraction analysis. This polymer possesses 1D helical chains or coils where Mn–azide–Mn forms the base of the coil which is alternatively garlanded by rigid bi-pyridine rings, where coordinates are in anti-fashion. The Mn (II) ions in the repeating units are linked by two end-on azide groups which extend through the two end-to-end azide ligands to the next unit forming a 1-D polymeric chain. The present study suggests that the use of this rigid and neutral building block leads to give better arrangement of the polymeric motif with [010] chains in 2-c uninodal net. During investigation of strong or weak intermolecular interactions, X-ray diffraction analysis and Hirshfeld surface analysis give rise to comparable results but in Hirshfeld surface analysis, two-third times more results of close contacts are obtained. The fingerprint plots demonstrate that these weak non-bonding interactions are important for stabilizing the crystal packing. Magnetic properties of the complex (I) were analyzed on the basis of an alternating ferro- and antiferromagnetic Heisenberg chain of Mn (II) ions. The J-exchange parameters found are J{sub 1}=64.3 K (45.3 cm{sup −1}), and J{sub 2}=−75.7 K (−53.3 cm{sup −1}). Magnetic properties are discussed in comparison with those of other similar molecular magnets of [Mn(L–L)(N{sub 3}){sub 2}]{sub n} type. - - Highlights: • Synthesized 1-D polymeric complex of Mn (II) ions with 2, 2′ bipyridyl and azide group. • X-ray data of complex (I) is in a good agreement with TGA and other spectroscopic techniques. • DFT calculations were done and compared with the parameter of experimental and theoretical data. • Intermolecular interactions calculated by Hirshfeld surface analysis

  7. Generalized helicity and Beltrami fields

    SciTech Connect

    Buniy, Roman V.; Kephart, Thomas W.

    2014-05-15

    We propose covariant and non-abelian generalizations of the magnetic helicity and Beltrami equation. The gauge invariance, variational principle, conserved current, energy–momentum tensor and choice of boundary conditions elucidate the subject. In particular, we prove that any extremal of the Yang–Mills action functional 1/4 ∫{sub Ω}trF{sub μν}F{sup μν}d{sup 4}x subject to the local constraint ε{sup μναβ}trF{sub μν}F{sub αβ}=0 satisfies the covariant non-abelian Beltrami equation. -- Highlights: •We introduce the covariant non-abelian helicity and Beltrami equation. •The Yang–Mills action and instanton term constraint lead to the Beltrami equation. •Solutions of the Beltrami equation conserve helicity.

  8. Rational design of helical architectures

    PubMed Central

    Chakrabarti, Dwaipayan; Fejer, Szilard N.; Wales, David J.

    2009-01-01

    Nature has mastered the art of creating complex structures through self-assembly of simpler building blocks. Adapting such a bottom-up view provides a potential route to the fabrication of novel materials. However, this approach suffers from the lack of a sufficiently detailed understanding of the noncovalent forces that hold the self-assembled structures together. Here we demonstrate that nature can indeed guide us, as we explore routes to helicity with achiral building blocks driven by the interplay between two competing length scales for the interactions, as in DNA. By characterizing global minima for clusters, we illustrate several realizations of helical architecture, the simplest one involving ellipsoids of revolution as building blocks. In particular, we show that axially symmetric soft discoids can self-assemble into helical columnar arrangements. Understanding the molecular origin of such spatial organisation has important implications for the rational design of materials with useful optoelectronic applications.

  9. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    SciTech Connect

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  10. Helical axis stellarator equilibrium model

    SciTech Connect

    Koniges, A.E.; Johnson, J.L.

    1985-02-01

    An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.

  11. Brownian motion of helical flagella.

    PubMed

    Hoshikawa, H; Saito, N

    1979-07-01

    We develops a theory of the Brownian motion of a rigid helical object such as bacterial flagella. The statistical properties of the random forces acting on the helical object are discussed and the coefficients of the correlations of the random forces are determined. The averages , and are also calculated where z and theta are the position along and angle around the helix axis respectively. Although the theory is limited to short time interval, direct comparison with experiment is possible by using the recently developed cinematography technique. PMID:16997210

  12. OPE for all helicity amplitudes

    NASA Astrophysics Data System (ADS)

    Basso, Benjamin; Caetano, João; Córdova, Lucía; Sever, Amit; Vieira, Pedro

    2015-08-01

    We extend the Operator Product Expansion (OPE) for scattering amplitudes in planar SYM to account for all possible helicities of the external states. This is done by constructing a simple map between helicity configurations and so-called charged pentagon transitions. These OPE building blocks are generalizations of the bosonic pentagons entering MHV amplitudes and they can be bootstrapped at finite coupling from the integrable dynamics of the color flux tube. A byproduct of our map is a simple realization of parity in the super Wilson loop picture.

  13. Tctex1d2 Is a Negative Regulator of GLUT4 Translocation and Glucose Uptake.

    PubMed

    Shimoda, Yoko; Okada, Shuichi; Yamada, Eijiro; Pessin, Jeffrey E; Yamada, Masanobu

    2015-10-01

    Tctex1d2 (Tctex1 domain containing 2) is an open reading frame that encodes for a functionally unknown protein that contains a Tctex1 domain found in dynein light chain family members. Examination of gene expression during adipogenesis demonstrated a marked increase in Tctex1d2 protein expression that was essentially undetectable in preadipocytes and markedly induced during 3T3-L1 adipocyte differentiation. Tctex1d2 overexpression significantly inhibited insulin-stimulated glucose transporter 4 (GLUT4) translocation and 2-deoxyglucose uptake. In contrast, Tctex1d2 knockdown significantly increased insulin-stimulated GLUT4 translocation and 2-deoxyglucose uptake. However, acute insulin stimulation (up to 30 min) in 3T3-L1 adipocytes with overexpression or knockdown of Tctex1d2 had no effect on Akt phosphorylation, a critical signal transduction target required for GLUT4 translocation. Although overexpression of Tctex1d2 had no significant effect on GLUT4 internalization, Tctex1d2 was found to associate with syntaxin 4 in an insulin-dependent manner and inhibit Doc2b binding to syntaxin 4. In addition, glucose-dependent insulinotropic polypeptide rescued the Tctex1d2 inhibition of insulin-stimulated GLUT4 translocation by suppressing the Tctex1d2-syntaxin 4 interaction and increasing Doc2b-Synatxin4 interactions. Taking these results together, we hypothesized that Tctex1d2 is a novel syntaxin 4 binding protein that functions as a negative regulator of GLUT4 plasma membrane translocation through inhibition of the Doc2b-syntaxin 4 interaction. PMID:26200093

  14. Mechanics of helical mesostructures from polymer-nanoparticle hybrids

    NASA Astrophysics Data System (ADS)

    Pham, Jonathan; Lawrence, Jimmy; Grason, Gregory; Emrick, Todd; Crosby, Alfred

    2015-03-01

    We describe the fabrication and mechanics of polymer and nanoparticle (NP)-based high-aspect ratio mesostructures, which we refer to as ribbons, with nm-scale cross-sections and up to cm-scale lengths. When placed into a fluid like water, interfacial tension associated with the ribbons' intrinsic geometric asymmetry balances the elastic cost of bending, turning ribbons into helices with tunable preferred curvature. This universal, elastocapillary-based mechanism enables the reversible formation of helices from a variety of polymer and NP compositions, as demonstrated with specific examples of poly(methyl methacrylate), CdSe quantum dots, and gold NPs with polystyrene-azide or undecene ligands. Using custom-designed characterization methods, we quantitatively show that helices are highly stretchable with force-displacement relationships described by a nonlinear spring of finite extensibility. At small strains, these helices generate nN forces, affording mesostructures with a stiffness similar to single polymer chains (ca. 10-6 N/m), and when fully stretched, they display properties similar to synthetic polymer nanofibers. These mesostructures offer a novel platform for engineering tunable materials with a broad range of mechanical properties and organic or inorganic functionality.

  15. Mycobacterial phosphatidylinositol mannoside is a natural antigen for CD1d-restricted T cells

    PubMed Central

    Fischer, Karsten; Scotet, Emmanuel; Niemeyer, Marcus; Koebernick, Heidrun; Zerrahn, Jens; Maillet, Sophie; Hurwitz, Robert; Kursar, Mischo; Bonneville, Marc; Kaufmann, Stefan H. E.; Schaible, Ulrich E.

    2004-01-01

    A group of T cells recognizes glycolipids presented by molecules of the CD1 family. The CD1d-restricted natural killer T cells (NKT cells) are primarily considered to be self-reactive. By employing CD1d-binding and T cell assays, the following structural parameters for presentation by CD1d were defined for a number of mycobacterial and mammalian lipids: two acyl chains facilitated binding, and a polar head group was essential for T cell recognition. Of the mycobacterial lipids tested, only a phosphatidylinositol mannoside (PIM) fulfilled the requirements for CD1d binding and NKT cell stimulation. This PIM activated human and murine NKT cells via CD1d, thereby triggering antigen-specific IFN-γ production and cell-mediated cytotoxicity, and PIM-loaded CD1d tetramers identified a subpopulation of murine and human NKT cells. This phospholipid, therefore, represents a mycobacterial antigen recognized by T cells in the context of CD1d. PMID:15243159

  16. A 1-D dusty plasma photonic crystal

    SciTech Connect

    Mitu, M. L.; Ticoş, C. M.; Toader, D.; Banu, N.; Scurtu, A.

    2013-09-21

    It is demonstrated numerically that a 1-D plasma crystal made of micron size cylindrical dust particles can, in principle, work as a photonic crystal for terahertz waves. The dust rods are parallel to each other and arranged in a linear string forming a periodic structure of dielectric-plasma regions. The dispersion equation is found by solving the waves equation with the boundary conditions at the dust-plasma interface and taking into account the dielectric permittivity of the dust material and plasma. The wavelength of the electromagnetic waves is in the range of a few hundred microns, close to the interparticle separation distance. The band gaps of the 1-D plasma crystal are numerically found for different types of dust materials, separation distances between the dust rods and rod diameters. The distance between levitated dust rods forming a string in rf plasma is shown experimentally to vary over a relatively wide range, from 650 μm to about 1350 μm, depending on the rf power fed into the discharge.

  17. The transport of relative canonical helicity

    SciTech Connect

    You, S.

    2012-09-15

    The evolution of relative canonical helicity is examined in the two-fluid magnetohydrodynamic formalism. Canonical helicity is defined here as the helicity of the plasma species' canonical momentum. The species' canonical helicity are coupled together and can be converted from one into the other while the total gauge-invariant relative canonical helicity remains globally invariant. The conversion is driven by enthalpy differences at a surface common to ion and electron canonical flux tubes. The model provides an explanation for why the threshold for bifurcation in counter-helicity merging depends on the size parameter. The size parameter determines whether magnetic helicity annihilation channels enthalpy into the magnetic flux tube or into the vorticity flow tube components of the canonical flux tube. The transport of relative canonical helicity constrains the interaction between plasma flows and magnetic fields, and provides a more general framework for driving flows and currents from enthalpy or inductive boundary conditions.

  18. Physical Gelation of α-Helical Copolypeptides.

    PubMed

    Vacogne, Charlotte D; Schopferer, Michael; Schlaad, Helmut

    2016-07-11

    Owing to its rod-like α-helical secondary structure, the synthetic polypeptide poly(γ-benzyl-l-glutamate) (PBlG) can form physical and thermoreversible gels in helicogenic solvents such as toluene. The versatility of PBlG can be increased by introducing functionalizable comonomers, such as allylglycine (AG). In this work we examined the secondary structure of PBlG and a series of statistical poly(γ-benzyl-l-glutamate-co-allylglycine) copolypeptides, varying in composition and chain length, by circular dichroism (CD), Fourier-transform infrared (FTIR) and Raman spectroscopy, and wide-angle X-ray scattering (WAXS). The secondary structure of PBlG and the copolypeptides presented dissimilarities that increased with increasing AG molar fraction, especially when racemic AG units were incorporated. The physical gelation behavior of these copolypeptides was analyzed by temperature-sweep (1)H NMR and rheological measurements. The study revealed that both copolypeptide composition and chain length affected secondary structure, gelation temperature, and gel stiffness. PMID:27233111

  19. Conservation of magnetic helicity during plasma relaxation

    SciTech Connect

    Ji, H.; Prager, S.C.; Sarff, J.S.

    1994-07-01

    Decay of the total magnetic helicity during the sawtooth relaxation in the MST Reversed-Field Pinch is much larger than the MHD prediction. However, the helicity decay (3--4%) is smaller than the magnetic energy decay (7--9%), modestly supportive of the helicity conservation hypothesis in Taylor`s relaxation theory. Enhanced fluctuation-induced helicity transport during the relaxation is observed.

  20. Note: Helical nanobelt force sensors

    SciTech Connect

    Hwang, G.; Hashimoto, H.

    2012-12-15

    We present the fabrication and characterization of helical nanobelt force sensors. These self-sensing force sensors are based on the giant piezoresistivity of helical nanobelts. The three-dimensional helical nanobelts are self-formed from 27 nm-thick n-type InGaAs/GaAs bilayers using rolled-up techniques, and assembled onto electrodes on a micropipette using nanorobotic manipulations. The helical nanobelt force sensors can be calibrated using a calibrated atomic force microscope cantilever system under scanning electron microscope. Thanks to their giant piezoresistance coefficient (515 Multiplication-Sign 10{sup -10} Pa{sup -1}), low stiffness (0.03125 N/m), large-displacement capability ({approx}10 {mu}m), and good fatigue resistance, they are well suited to function as stand-alone, compact ({approx}20 {mu}m without the plug-in support), light ({approx}5 g including the plug-in support), versatile and large range ({approx}{mu}N) and high resolution ({approx}nN) force sensors.

  1. Helicity Generation by Heat Pulses

    NASA Astrophysics Data System (ADS)

    Stenzel, R. L.; Urrutia, J. M.

    1996-11-01

    In a large laboratory plasma (ne ~= 10^12 cm-3, k Te ~= 2 eV, B0 ~= 30 G, 1 m ⊥ B_0, 2.5 m allel B_0), the electrons are heated locally by a short intense current pulse (100 A, 0.2 μs) using a magnetic loop antenna or a biased electrode. The heat transport along the field establishes a flux tube with strong radial and weak axial temperature gradients. The time scale of temperature relaxation (Δ t ~= 50 μs) is much longer than that of the transient whistler wave pulse excited by the initial current pulse (Δ t < 2 μs). The temperature gradients drive linked field-aligned and diamagnetic currents which, due to their linkage, exhibit helicity and form a flux rope with J × B ~= 0.(R. L. Stenzel and J. M. Urrutia, Phys. Rev. Lett. 76), 1469 (1996). Alternatively, the helicity generation can be understood by the twisting of magnetic field lines which, in the parameter regime of electron MHD, are frozen into the electron fluid. The electron heating at one end of the flux tube causes a nonuniform diamagnetic rotation, hence the helicity. The heat transport by helical convection and conduction is investigated. The slowly time-varying magnetic field may excite Alfvénic perturbations.

  2. Note: Helical nanobelt force sensors

    NASA Astrophysics Data System (ADS)

    Hwang, G.; Hashimoto, H.

    2012-12-01

    We present the fabrication and characterization of helical nanobelt force sensors. These self-sensing force sensors are based on the giant piezoresistivity of helical nanobelts. The three-dimensional helical nanobelts are self-formed from 27 nm-thick n-type InGaAs/GaAs bilayers using rolled-up techniques, and assembled onto electrodes on a micropipette using nanorobotic manipulations. The helical nanobelt force sensors can be calibrated using a calibrated atomic force microscope cantilever system under scanning electron microscope. Thanks to their giant piezoresistance coefficient (515 × 10-10 Pa-1), low stiffness (0.03125 N/m), large-displacement capability (˜10 μm), and good fatigue resistance, they are well suited to function as stand-alone, compact (˜20 μm without the plug-in support), light (˜5 g including the plug-in support), versatile and large range (˜μN) and high resolution (˜nN) force sensors.

  3. Note: helical nanobelt force sensors.

    PubMed

    Hwang, G; Hashimoto, H

    2012-12-01

    We present the fabrication and characterization of helical nanobelt force sensors. These self-sensing force sensors are based on the giant piezoresistivity of helical nanobelts. The three-dimensional helical nanobelts are self-formed from 27 nm-thick n-type InGaAs/GaAs bilayers using rolled-up techniques, and assembled onto electrodes on a micropipette using nanorobotic manipulations. The helical nanobelt force sensors can be calibrated using a calibrated atomic force microscope cantilever system under scanning electron microscope. Thanks to their giant piezoresistance coefficient (515 × 10(-10) Pa(-1)), low stiffness (0.03125 N/m), large-displacement capability (~10 μm), and good fatigue resistance, they are well suited to function as stand-alone, compact (~20 μm without the plug-in support), light (~5 g including the plug-in support), versatile and large range (~μN) and high resolution (~nN) force sensors. PMID:23278031

  4. 1D-VAR Retrieval Using Superchannels

    NASA Technical Reports Server (NTRS)

    Liu, Xu; Zhou, Daniel; Larar, Allen; Smith, William L.; Schluessel, Peter; Mango, Stephen; SaintGermain, Karen

    2008-01-01

    Since modern ultra-spectral remote sensors have thousands of channels, it is difficult to include all of them in a 1D-var retrieval system. We will describe a physical inversion algorithm, which includes all available channels for the atmospheric temperature, moisture, cloud, and surface parameter retrievals. Both the forward model and the inversion algorithm compress the channel radiances into super channels. These super channels are obtained by projecting the radiance spectra onto a set of pre-calculated eigenvectors. The forward model provides both super channel properties and jacobian in EOF space directly. For ultra-spectral sensors such as Infrared Atmospheric Sounding Interferometer (IASI) and the NPOESS Airborne Sounder Testbed Interferometer (NAST), a compression ratio of more than 80 can be achieved, leading to a significant reduction in computations involved in an inversion process. Results will be shown applying the algorithm to real IASI and NAST data.

  5. 1D cadmium(II) thiocyanate systems: Synthesis and characterization of three new polymeric 1D cadmium(II) thiocyanato complexes

    NASA Astrophysics Data System (ADS)

    Saber, Mohamed R.; Abu-Youssef, Morsy A. M.; Goher, Mohamed A. S.; Sabra, Berry A.; Hafez, Afaf K.; Badr, Ahmed M.-A.; Mautner, Franz A.

    2012-01-01

    Three new cadmium(II) thiocyanato complexes, [{Cd(NCS) 2(val)}·H 2O] n1, [Cd(NCS) 2(3-ampy) 2] n2, and [Cd(NCS) 2(pyrazolinone)] n3, (val = D, L-valine, 3-ampy = 3-aminopyridine and pyrazolinone = 3-methyl-1-phenyl-2-pyrazolin-5-one) have been synthesized and structurally characterized. The X-ray structure analysis revealed di-μ-N,S thiocyanato bridges connecting cadmium centers in a 1D chain with the co-ligand blocking the remaining coordination sites. The structure of complex 1 features six coordinate Cd(II) centers, each cadmium is surrounded by two N atoms and two S atoms from two bridging N,S-thiocyanato groups giving rise to a zigzag 1D chain and two oxygen atoms of the alternating chelating μ-O,O'-valine that coordinates as zwitterionic terminal amino acid. The structure of complex 2 consists of octahedral Cd(II) centers, connected by di-μ-N,S-bridging NCS groups, thus forming a 1D chain system along the [1 0 1] direction. The amino-groups are forming one intra-chain N sbnd H⋯N hydrogen bond and one interchain N sbnd H⋯N hydrogen bond to N-atoms of adjacent chains. The structure of 3 reveals di-μ-N,S-NCS doubly bridged unusual penta-coordinated cadmium centers with the alternating monodentate pyrazolinone ligand blocking the fifth coordination site. IR spectra and thermal properties of complexes are reported.

  6. 2-D simulation of a waveguide free electron laser having a helical undulator

    SciTech Connect

    Kim, S.K.; Lee, B.C.; Jeong, Y.U.

    1995-12-31

    We have developed a 2-D simulation code for the calculation of output power from an FEL oscillator having a helical undulator and a cylindrical waveguide. In the simulation, the current and the energy of the electron beam is 2 A and 400 keV, respectively. The parameters of the permanent-magnet helical undulator are : period = 32 mm, number of periods = 20, magnetic field = 1.3 kG. The gain per pass is 10 and the output power is calculated to be higher than 10 kW The results of the 2-D simulation are compared with those of 1-D simulation.

  7. Orientation Determination of Protein Helical Secondary Structure Using Linear and Nonlinear Vibrational Spectroscopy

    PubMed Central

    Nguyen, Khoi Tan; Le Clair, Stéphanie V.; Ye, Shuji; Chen, Zhan

    2009-01-01

    measured parameters for orientation determination, aiding in the deduction of more complicated orientation distributions. In this paper, we discussed two types of helices: the α-helix and 3–10 helix. However, the orientation determination method presented here is general, and thus can be applied to study other helices as well. The calculations of SFG amide I hyperpolarizability components for α-helical and 3–10 helical structures with different chain lengths have also been performed. It was found that when the helices reach a certain length, the number of peptide units in the helix should not alter the data analysis substantially. It was shown in the calculation, however, that when the helix chain is short, the SFG hyperpolarizability component ratios can vary substantially when the chain length is changed. Because 3–10 helical structures can be quite short in proteins, the orientation determination for a short 3–10 helix needs to take into account the number of peptide units in the helix. PMID:19650636

  8. An Accurate Model for Biomolecular Helices and Its Application to Helix Visualization

    PubMed Central

    Wang, Lincong; Qiao, Hui; Cao, Chen; Xu, Shutan; Zou, Shuxue

    2015-01-01

    Helices are the most abundant secondary structural elements in proteins and the structural forms assumed by double stranded DNAs (dsDNA). Though the mathematical expression for a helical curve is simple, none of the previous models for the biomolecular helices in either proteins or DNAs use a genuine helical curve, likely because of the complexity of fitting backbone atoms to helical curves. In this paper we model a helix as a series of different but all bona fide helical curves; each one best fits the coordinates of four consecutive backbone Cα atoms for a protein or P atoms for a DNA molecule. An implementation of the model demonstrates that it is more accurate than the previous ones for the description of the deviation of a helix from a standard helical curve. Furthermore, the accuracy of the model makes it possible to correlate deviations with structural and functional significance. When applied to helix visualization, the ribbon diagrams generated by the model are less choppy or have smaller side chain detachment than those by the previous visualization programs that typically model a helix as a series of low-degree splines. PMID:26126117

  9. On the origin of multi-step spin transition behaviour in 1D nanoparticles

    NASA Astrophysics Data System (ADS)

    Chiruta, Daniel; Jureschi, Catalin-Maricel; Linares, Jorge; Dahoo, Pierre Richard; Garcia, Yann; Rotaru, Aurelian

    2015-09-01

    To investigate the spin state switching mechanism in spin crossover (SCO) nanoparticles, a special attention is given to three-step thermally induced SCO behavior in 1D chains. An additional term is included in the standard Ising-like Hamiltonian to account for the border interaction between SCO molecules and its local environment. It is shown that this additional interaction, together with the short range interaction, drives the multi-steps thermal hysteretic behavior in 1D SCO systems. The relation between a polymeric matrix and this particular multi-step SCO phenomenon is discussed accordingly. Finally, the environmental influence on the SCO system's size is analyzed as well.

  10. Generation and characterization of CD1d-specific single-domain antibodies with distinct functional features.

    PubMed

    Lameris, Roeland; de Bruin, Renée C G; van Bergen En Henegouwen, Paul M P; Verheul, Henk M; Zweegman, Sonja; de Gruijl, Tanja D; van der Vliet, Hans J

    2016-09-01

    Ligation of the CD1d antigen-presenting molecule by monoclonal antibodies (mAbs) can trigger important biological functions. For therapeutic purposes camelid-derived variable domain of heavy-chain-only antibodies (VHH) have multiple advantages over mAbs because they are small, stable and have low immunogenicity. Here, we generated 21 human CD1d-specific VHH by immunizing Lama glama and subsequent phage display. Two clones induced maturation of dendritic cells, one clone induced early apoptosis in CD1d-expressing B lymphoblasts and multiple myeloma cells, and another clone blocked recognition of glycolipid-loaded CD1d by CD1d-restricted invariant natural killer T (iNKT) cells. In contrast to reported CD1d-specific mAbs, these CD1d-specific VHH have the unique characteristic that they induce specific and well-defined biological effects. This feature, combined with the above-indicated general advantages of VHH, make the CD1d-specific VHH generated here unique and useful tools to exploit both CD1d ligation as well as disruption of CD1d-iNKT interactions in the treatment of cancer or inflammatory disorders. PMID:27312006

  11. Crystal Structures of Human TBC1D1 and TBC1D4 (AS160) RabGTPase-activating Protein (RabGAP) Domains Reveal Critical Elements for GLUT4 Translocation

    SciTech Connect

    S Park; W Jin; S Shoelson

    2011-12-31

    We have solved the x-ray crystal structures of the RabGAP domains of human TBC1D1 and human TBC1D4 (AS160), at 2.2 and 3.5 {angstrom} resolution, respectively. Like the yeast Gyp1p RabGAP domain, whose structure was solved previously in complex with mouse Rab33B, the human TBC1D1 and TBC1D4 domains both have 16 {alpha}-helices and no {beta}-sheet elements. We expected the yeast Gyp1p RabGAP/mouse Rab33B structure to predict the corresponding interfaces between cognate mammalian RabGAPs and Rabs, but found that residues were poorly conserved. We further tested the relevance of this model by Ala-scanning mutagenesis, but only one of five substitutions within the inferred binding site of the TBC1D1 RabGAP significantly perturbed catalytic efficiency. In addition, substitution of TBC1D1 residues with corresponding residues from Gyp1p did not enhance catalytic efficiency. We hypothesized that biologically relevant RabGAP/Rab partners utilize additional contacts not described in the yeast Gyp1p/mouse Rab33B structure, which we predicted using our two new human TBC1D1 and TBC1D4 structures. Ala substitution of TBC1D1 Met{sup 930}, corresponding to a residue outside of the Gyp1p/Rab33B contact, substantially reduced catalytic activity. GLUT4 translocation assays confirmed the biological relevance of our findings. Substitutions with lowest RabGAP activity, including catalytically dead RK and Met{sup 930} and Leu{sup 1019} predicted to perturb Rab binding, confirmed that biological activity requires contacts between cognate RabGAPs and Rabs beyond those in the yeast Gyp1p RabGAP/mouse Rab33B structure.

  12. Predictive supracolloidal helices from patchy particles

    NASA Astrophysics Data System (ADS)

    Guo, Ruohai; Mao, Jian; Xie, Xu-Ming; Yan, Li-Tang

    2014-11-01

    A priori prediction of supracolloidal architectures from nanoparticle and colloidal assembly is a challenging goal in materials chemistry and physics. Despite intense research in this area, much less has been known about the predictive science of supracolloidal helices from designed building blocks. Therefore, developing conceptually new rules to construct supracolloidal architectures with predictive helicity is becoming an important and urgent task of great scientific interest. Here, inspired by biological helices, we show that the rational design of patchy arrangement and interaction can drive patchy particles to self-assemble into biomolecular mimetic supracolloidal helices. We further derive a facile design rule for encoding the target supracolloidal helices, thus opening the doors to the predictive science of these supracolloidal architectures. It is also found that kinetics and reaction pathway during the formation of supracolloidal helices offer a unique way to study supramolecular polymerization, and that well-controlled supracolloidal helices can exhibit tailorable circular dichroism effects at visible wavelengths.

  13. Predictive supracolloidal helices from patchy particles

    PubMed Central

    Guo, Ruohai; Mao, Jian; Xie, Xu-Ming; Yan, Li-Tang

    2014-01-01

    A priori prediction of supracolloidal architectures from nanoparticle and colloidal assembly is a challenging goal in materials chemistry and physics. Despite intense research in this area, much less has been known about the predictive science of supracolloidal helices from designed building blocks. Therefore, developing conceptually new rules to construct supracolloidal architectures with predictive helicity is becoming an important and urgent task of great scientific interest. Here, inspired by biological helices, we show that the rational design of patchy arrangement and interaction can drive patchy particles to self-assemble into biomolecular mimetic supracolloidal helices. We further derive a facile design rule for encoding the target supracolloidal helices, thus opening the doors to the predictive science of these supracolloidal architectures. It is also found that kinetics and reaction pathway during the formation of supracolloidal helices offer a unique way to study supramolecular polymerization, and that well-controlled supracolloidal helices can exhibit tailorable circular dichroism effects at visible wavelengths. PMID:25387544

  14. Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.

    PubMed

    Le Nours, Jérôme; Praveena, T; Pellicci, Daniel G; Gherardin, Nicholas A; Ross, Fiona J; Lim, Ricky T; Besra, Gurdyal S; Keshipeddy, Santosh; Richardson, Stewart K; Howell, Amy R; Gras, Stephanie; Godfrey, Dale I; Rossjohn, Jamie; Uldrich, Adam P

    2016-01-01

    Crucial to Natural Killer T (NKT) cell function is the interaction between their T-cell receptor (TCR) and CD1d-antigen complex. However, the diversity of the NKT cell repertoire and the ensuing interactions with CD1d-antigen remain unclear. We describe an atypical population of CD1d-α-galactosylceramide (α-GalCer)-reactive human NKT cells that differ markedly from the prototypical TRAV10-TRAJ18-TRBV25-1(+) type I NKT cell repertoire. These cells express a range of TCR α- and β-chains that show differential recognition of glycolipid antigens. Two atypical NKT TCRs (TRAV21-TRAJ8-TRBV7-8 and TRAV12-3-TRAJ27-TRBV6-5) bind orthogonally over the A'-pocket of CD1d, adopting distinct docking modes that contrast with the docking mode of all type I NKT TCR-CD1d-antigen complexes. Moreover, the interactions with α-GalCer differ between the type I and these atypical NKT TCRs. Accordingly, diverse NKT TCR repertoire usage manifests in varied docking strategies and specificities towards CD1d-α-GalCer and related antigens, thus providing far greater scope for diverse glycolipid antigen recognition. PMID:26875526

  15. An experimental superconducting helical undulator

    SciTech Connect

    Caspi, S.; Taylor, C.

    1995-12-31

    Improvements in the technology of superconducting magnets for high energy physics and recent advancements in SC materials with the artificial pinning centers (APC){sup 2}, have made a bifilar helical SC device an attractive candidate for a single-pass free electron laser (FEL){sup 3}. Initial studies have suggested that a 6.5 mm inner diameter helical device, with a 27 mm period, can generate a central field of 2-2.5 Tesla. Additional studies have also suggested that with a stored energy of 300 J/m, such a device can be made self-protecting in the event of a quench. However, since the most critical area associated with high current density SC magnets is connected with quenching and training, a short experimental device will have to be built and tested. In this paper we discuss technical issues relevant to the construction of such a device, including a conceptual design, fields, and forces.

  16. Helical screw expander evaluation project

    NASA Technical Reports Server (NTRS)

    Mckay, R.

    1982-01-01

    A one MW helical rotary screw expander power system for electric power generation from geothermal brine was evaluated. The technology explored in the testing is simple, potentially very efficient, and ideally suited to wellhead installations in moderate to high enthalpy, liquid dominated field. A functional one MW geothermal electric power plant that featured a helical screw expander was produced and then tested with a demonstrated average performance of approximately 45% machine efficiency over a wide range of test conditions in noncondensing, operation on two-phase geothermal fluids. The Project also produced a computer equipped data system, an instrumentation and control van, and a 1000 kW variable load bank, all integrated into a test array designed for operation at a variety of remote test sites. Data are presented for the Utah testing and for the noncondensing phases of the testing in Mexico. Test time logged was 437 hours during the Utah tests and 1101 hours during the Mexico tests.

  17. Lamb Wave Helical Ultrasonic Tomography

    NASA Astrophysics Data System (ADS)

    Leonard, K. R.; Hinders, M. K.

    2004-02-01

    Ultrasonic guided waves have been used for a wide variety of ultrasonic inspection techniques. We describe here a new variation called helical ultrasound tomography (HUT). This new technique, among other things, has direct application to advanced pipe inspection. HUT uses guided ultrasonic waves along with an adaptation of the tomographic reconstruction algorithms developed by seismologists for what they call "cross borehole" tomography. In HUT, the Lamb-like guided waves travel in various helical crisscross paths between two parallel circumferential transducer arrays instead of the planar crisscross seismic paths between two boreholes. Although the measurement itself is fairly complicated, the output of the tomographic reconstruction is a readily interpretable map of a quantity of interest such as pipe wall thickness. We demonstrate the feasibility of the HUT technique via laboratory scans on steel pipe segments into which controlled thinnings have been introduced.

  18. Helical screw expander evaluation project

    NASA Astrophysics Data System (ADS)

    McKay, R.

    1982-03-01

    A one MW helical rotary screw expander power system for electric power generation from geothermal brine was evaluated. The technology explored in the testing is simple, potentially very efficient, and ideally suited to wellhead installations in moderate to high enthalpy, liquid dominated field. A functional one MW geothermal electric power plant that featured a helical screw expander was produced and then tested with a demonstrated average performance of approximately 45% machine efficiency over a wide range of test conditions in noncondensing, operation on two-phase geothermal fluids. The Project also produced a computer equipped data system, an instrumentation and control van, and a 1000 kW variable load bank, all integrated into a test array designed for operation at a variety of remote test sites. Data are presented for the Utah testing and for the noncondensing phases of the testing in Mexico. Test time logged was 437 hours during the Utah tests and 1101 hours during the Mexico tests.

  19. Emulsification-Induced Homohelicity in Racemic Helical Polymer for Preparing Optically Active Helical Polymer Nanoparticles.

    PubMed

    Zhao, Biao; Deng, Jinrui; Deng, Jianping

    2016-04-01

    Optically active nano- and microparticles have constituted a significant category of advanced functional materials. However, constructing optically active particles derived from synthetic helical polymers still remains as a big challenge. In the present study, it is attempted to induce a racemic helical polymer (containing right- and left-handed helices in equal amount) to prefer one predominant helicity in aqueous media by using emulsifier in the presence of chiral additive (emulsification process). Excitingly, the emulsification process promotes the racemic helical polymer to unify the helicity and directly provides optically active nanoparticles constructed by chirally helical polymer. A possible mechanism is proposed to explain the emulsification-induced homohelicity effect. The present study establishes a novel strategy for preparing chirally helical polymer-derived optically active nanoparticles based on racemic helical polymers. PMID:26829250

  20. Topology of modified helical gears

    NASA Technical Reports Server (NTRS)

    Litvin, F. L.; Zhang, J.; Handschuh, R. F.; Coy, J. J.

    1989-01-01

    The topology of several types of modified surfaces of helical gears is proposed. The modified surfaces allow absorption of a linear or almost linear function of transmission errors. These errors are caused by gear misalignment and an improvement of the contact of gear tooth surfaces. Principles and corresponding programs for computer aided simulation of meshing and contact of gears have been developed. The results of this investigation are illustrated with numerical examples.

  1. Helical Antimicrobial Sulfono- {gamma} -AApeptides

    SciTech Connect

    Li, Yaqiong; Wu, Haifan; Teng, Peng; Bai, Ge; Lin, Xiaoyang; Zuo, Xiaobing; Cao, Chuanhai; Cai, Jianfeng

    2015-06-11

    Host-defense peptides (HDPs) such as magainin 2 have emerged as potential therapeutic agents combating antibiotic resistance. Inspired by their structures and mechanism of action, herein we report the fi rst example of antimicrobial helical sulfono- γ - AApeptide foldamers. The lead molecule displays broad-spectrum and potent antimicrobial activity against multi-drug-resistant Gram- positive and Gram-negative bacterial pathogens. Time-kill studies and fl uorescence microscopy suggest that sulfono- γ -AApeptides eradicate bacteria by taking a mode of action analogous to that of HDPs. Clear structure - function relationships exist in the studied sequences. Longer sequences, presumably adopting more-de fi ned helical structures, are more potent than shorter ones. Interestingly, the sequence with less helical propensity in solution could be more selective than the stronger helix-forming sequences. Moreover, this class of antimicrobial agents are resistant to proteolytic degradation. These results may lead to the development of a new class of antimicrobial foldamers combating emerging antibiotic-resistant pathogens.

  2. Synthesis and properties of a few 1-D cobaltous fumarates

    SciTech Connect

    Bora, Sanchay J.; Das, Birinchi K.

    2012-08-15

    Metal fumarates are often studied in the context of metal organic framework solids. Preparation, structure and properties of three cobalt(II) fumarates, viz. [Co(fum)(H{sub 2}O){sub 4}]{center_dot}H{sub 2}O 1, [Co(fum)(py){sub 2}(H{sub 2}O){sub 2}] 2, and [Co(fum)(4-CNpy){sub 2}(H{sub 2}O){sub 2}] 3 (fum=fumarate, py=pyridine, 4-CNpy=4-cyanopyridine) are described. All three are chain polymers involving bridging fumarato ligands between each pair of octahedral Co(II) centres, but while the first one is zigzag in structure, the latter two are linear. Indexed powder X-ray diffraction patterns, solid state electronic spectra and magnetic properties of the species are reported. Thermal decomposition behaviour of the compounds suggests that they may be suitable as precursors to make Co{sub 3}O{sub 4} via pyrolysis below 600 Degree-Sign C. - Graphical abstract: Structure and properties of three chain-polymeric cobalt(II) fumarates are described. Highlights: Black-Right-Pointing-Pointer Three fumarate bridged 1-D coordination polymers of cobalt(II) are reported. Black-Right-Pointing-Pointer While Co(II) fumarate pentahydrate is zigzag, the species having both pyridine and water as co-ligands are linear in structure. Black-Right-Pointing-Pointer Prominent lines in the powder X-ray diffraction patterns have been indexed. Black-Right-Pointing-Pointer Thermal decomposition of the species yields Co{sub 3}O{sub 4} as the final product.

  3. Self-assembly of mixed-valence Co(II/III) and Ni(II) clusters: azide-bridged 1D single chain coordination polymers comprised of tetranuclear units, tetranuclear Co(II/III) complexes, ferromagnetically coupled azide-bridged tetranuclear, and hexanuclear Ni(II) complexes: synthesis, structural, and magnetic properties.

    PubMed

    Tandon, Santokh S; Bunge, Scott D; Rakosi, Robert; Xu, Zhiqiang; Thompson, Laurence K

    2009-09-01

    One-pot reactions between 2,6-diformyl-4-methylphenol (DFMP) and 2-aminoethanol (AE) in the presence of cobalt(II) salts [Co(ClO4)2, CoCl2, Co(CH3CO2)2, Co(NO3)2] and sodium azide result in the self-assembly of novel one-dimensional single chain mixed-valence cobalt coordination polymers {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]ClO(4).5H2O.CH3OH}n (1), {[Co2(II)Co2(III) (HL)2(OCH3)2(N3)3]Cl.H2O}n (2) in which tetra-cobalt cationic units are bridged by symmetrical 1,3-azides, forming single chains; mixed valence neutral tetranuclear clusters [Co2(II)Co2(III) (HL)2(OCH3)2(N3)4]CH3OH.2H2O (3), [Co2(II)Co2(III)(HL)2(OCH3)2(N3)2(CH3CO2)2].2CH3OH.2H2O (4), and the cationic cluster [Co2(II) Co2(III) (HL)2(OCH3)2(CH3OH)2(N3)2](NO3)2 (5). In all these reactions, H3L, the potentially pentadentate (N2O3), trianionic double Schiff base ligand 2,6-bis[(2-hydroxy-ethylimino)-methyl]-4-methylphenol is formed. The reaction between DFMP and AE in the presence of nickel(ii) salts and sodium azide in methanol-water mixture results in the self-assembly of ferromagnetically coupled hexanuclear complexes [Ni6(H2L)2(HL-1)2(H2O)2(N3)6](ClO4)(2).2CH3OH (6), and [Ni6(H2L)2(HL-1)2(CH3OH)2(N3)6](BF4)2 (7), involving double (H3L) and single (H2L-1) Schiff base ligands, and a neutral tetranuclear complex [Ni4(H2L)2(OCH3)2(CH3CO2)2(N3)2] (8) with only double Schiff-base (H3L). In these complexes, the nature of the anion and the reaction conditions seem to play an important role in directing the formation of tetranuclear, hexanuclear or polymeric clusters. All complexes involve divacant double cubane-type cores containing three to four different types of bridging ligands (phenoxy, azido, methoxy/alkoxy, and acetate). Variable temperature magnetic properties of these spin coupled clusters have been investigated and magneto-structural correlations have been established. PMID:19672499

  4. The morphology transformation from helical nanofiber to helical nanotube in a diarylethene self-assembly system.

    PubMed

    Duan, Yulong; Yan, Shihai; Zhou, Xinhong; Xu, Wei; Xu, Hongxia; Liu, Zhihong; Zhang, Lixue; Zhang, Chuanjian; Cui, Guanglei; Yao, Lishan

    2014-08-01

    A helical nanostructure can be obtained by self-assembly of a diarylethene derivative that bears two malononitrile substitutes in a tetrahydrofuran/water medium. It is revealed that the helical nanostructure changed from helical nanofiber to helical nanotube when the diarylethene monomer changed from the open-ring isomer to the closed-ring isomer upon irradiation with 365 nm ultraviolet light, meanwhile, the helix angle of the nanostructure changed from 50° ± 5° to 75° ± 5°. There is a great possibility that the helical nanofibers and helical nanotubes are assembled from dimers as base units based on theoretical calculation and experimental results. PMID:24940732

  5. A Parallel Coiled-Coil Tetramer with Offset Helices

    SciTech Connect

    Liu,J.; Deng, Y.; Zheng, Q.; Cheng, C.; Kallenbach, N.; Lu, M.

    2006-01-01

    Specific helix-helix interactions are fundamental in assembling the native state of proteins and in protein-protein interfaces. Coiled coils afford a unique model system for elucidating principles of molecular recognition between {alpha} helices. The coiled-coil fold is specified by a characteristic seven amino acid repeat containing hydrophobic residues at the first (a) and fourth (d) positions. Nonpolar side chains spaced three and four residues apart are referred to as the 3-4 hydrophobic repeat. The presence of apolar amino acids at the e or g positions (corresponding to a 3-3-1 hydrophobic repeat) can provide new possibilities for close-packing of {alpha}-helices that includes examples such as the lac repressor tetramerization domain. Here we demonstrate that an unprecedented coiled-coil interface results from replacement of three charged residues at the e positions in the dimeric GCN4 leucine zipper by nonpolar valine side chains. Equilibrium circular dichroism and analytical ultracentrifugation studies indicate that the valine-containing mutant forms a discrete {alpha}-helical tetramer with a significantly higher stability than the parent leucine-zipper molecule. The 1.35 {angstrom} resolution crystal structure of the tetramer reveals a parallel four-stranded coiled coil with a three-residue interhelical offset. The local packing geometry of the three hydrophobic positions in the tetramer conformation is completely different from that seen in classical tetrameric structures yet bears resemblance to that in three-stranded coiled coils. These studies demonstrate that distinct van der Waals interactions beyond the a and d side chains can generate a diverse set of helix-helix interfaces and three-dimensional supercoil structures.

  6. 1D-1D Coulomb drag in a 6 Million Mobility Bi-layer Heterostructure

    NASA Astrophysics Data System (ADS)

    Bilodeau, Simon; Laroche, Dominique; Xia, Jian-Sheng; Lilly, Mike; Reno, John; Pfeiffer, Loren; West, Ken; Gervais, Guillaume

    We report Coulomb drag measurements in vertically-coupled quantum wires. The wires are fabricated in GaAs/AlGaAs bilayer heterostructures grown from two different MBE chambers: one at Sandia National Laboratories (1.2M mobility), and the other at Princeton University (6M mobility). The previously observed positive and negative drag signals are seen in both types of devices, demonstrating the robustness of the result. However, attempts to determine the temperature dependence of the drag signal in the 1D regime proved challenging in the higher mobility heterostructure (Princeton), in part because of difficulties in aligning the wires within the same transverse subband configuration. Nevertheless, this work, performed at the Microkelvin laboratory of the University of Florida, is an important proof-of-concept for future investigations of the temperature dependence of the 1D-1D drag signal down to a few mK. Such an experiment could confirm the Luttinger charge density wave interlocking predicted to occur in the wires. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL8500.

  7. Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.

    PubMed

    Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua

    2016-08-10

    We demonstrate facile and efficient construction of conjugated double helical ladder oligomers from the saddle-shaped cyclooctatetrathiophene (COTh) building blocks. The key step involves deprotonation of tetra[3,4]thienylene (β,β-COTh) with n-BuLi which displays remarkably high ipsilateral selectivity. Three racemic double helical ladder oligomers, rac-DH-1, rac-DH-2, and rac-DH-3, containing two, three, and five COTh annelated moieties are efficiently synthesized by diastereoselective coupling of the racemic precursors. The X-ray crystallographic studies of rac-DH-1, rac-DH-2 and rac-DH-3 unambiguously revealed that each double helical scaffold has two single helices intertwined with each other via the C-C single bonds. Following removal of TMS groups, double helical ladder oligomer rac-DH-1-D had sufficient solubility to be resolved via chiral HPLC, thus enabling determination of its chirooptical properties such as CD spectra and optical rotation. (+)-DH-1-D has a large barrier for racemization, with lower limit of ΔG(‡) > 48 kcal mol(-1), which may be compared to DFT-computed barrier of 51 kcal mol(-1). The enantiomers of DH-1-D show 1 order of magnitude stronger chirooptical properties than the carbon-sulfur [7]helicene, as determined by the anisotropy factor g = Δε/ε = -0.039, based on Δεmax = -11 and ε = 2.8 × 10(2) L mol(-1) cm(-1) in cyclohexane at 327 nm. PMID:27440376

  8. Understanding 1D Electrostatic Dust Levitation

    NASA Astrophysics Data System (ADS)

    Hartzell, C. M.; Scheeres, D. J.

    2011-12-01

    Electrostatically-dominated dust motion has been hypothesized since the Lunar Horizon Glow was observed by the Surveyor spacecraft. The hypothesized occurence of this phenomenon was naturally extended to asteroids due to their small gravities. Additionally, it has been suggested that the dust ponds observed on Eros by the NEAR mission may be created by electrostatically-dominated dust transport. Previous attempts to numerically model dust motion on the Moon and Eros have been stymied by poorly understood dust launching mechanisms. As a result, the initial velocity and charge of dust particles used in numerical simulations may or may not have any relevance to the actual conditions occurring in situ. It has been seen that properly tuned initial states (velocity and charge) result in dust particles levitating above the surface in both 1D and 2D simulations. Levitation is of interest to planetary scientists since it provides a way to quickly redistribute the surface dust particles over a body. However, there is currently no method to predict whether or not a certain initial state will result in levitation. We have developed a method to provide constraints on the initial states that result in levitation as a function of dust particle size and central body gravity. Additionally, our method can be applied to several models of the plasma sheath. Thus, we limit the guesswork involved in determining which initial conditions result in levitation. We provide a more detailed understanding of levitation phenomena couched in terms of the commonly recognized spring-mass system. This method of understanding dust motion removes the dependency on the launching mechanism, which remains fraught with controversy. Once a feasible dust launching mechanism is identified (be it micrometeoroid bombardment or electrostatic lofting), our method will allow the community to quickly ascertain if dust levitation will occur in situ or if it is simply a numerical artifact. In addition to

  9. The effects of regularly spaced glutamine substitutions on alpha-helical peptide structures: A DFT/ONIOM study

    NASA Astrophysics Data System (ADS)

    Roy, Dipankar; Dannenberg, J. J.

    2011-08-01

    The side-chains of the residues of glutamine (Q) and asparagine (N) contain amide groups. These can H-bond to each other in patterns similar to those of the backbone amides in α-helices. We show that mutating multiple Q's for alanines (A's) in a polyalanine helix stabilizes the helical structure, while similar mutations with multiple N's do not. We suggest that modification of peptides by incorporating Q's in such positions can make more robust helices that can be used to test the effects of secondary structures in biochemical experiments linked to proteins with variable structures such as tau and α-synuclein.

  10. Automated design of the surface positions of protein helices.

    PubMed Central

    Dahiyat, B. I.; Gordon, D. B.; Mayo, S. L.

    1997-01-01

    Using a protein design algorithm that quantitatively considers side-chain interactions, the design of surface residues of alpha helices was examined. Three scoring functions were tested: a hydrogen-bond potential, a hydrogen-bond potential in conjunction with a penalty for uncompensated burial of polar hydrogens, and a hydrogen-bond potential in combination with helix propensity. The solvent exposed residues of a homodimeric coiled coil based on GCN4-p1 were designed by using the Dead-End Elimination Theorem to find the optimal amino acid sequence for each scoring function. The corresponding peptides were synthesized and characterized by circular dichroism spectroscopy and size exclusion chromatography. The designed peptides were dimeric and nearly 100% helical at 1 degree C, with melting temperatures from 69-72 degrees C, over 12 degrees C higher than GCN4-p1, whereas a random hydrophilic sequence at the surface positions produced a peptide that melted at 15 degrees C. Analysis of the designed sequences suggests that helix propensity is the key factor in sequence design for surface helical positions. PMID:9194194

  11. Helicity in dynamical processes in the atmosphere

    NASA Astrophysics Data System (ADS)

    Kurgansky, Michael; Maksimenkov, Leonid; Khapaev, Alexey; Chkhetiani, Otto

    2016-04-01

    In modern geophysical fluid dynamics and dynamic meteorology, a notable interest is observed to the notion of helicity ("kinetic helicity" to be distinguished from "magnetic helicity" widely used in magnetohydrodynamics, astrophysics and Solar physics), which is defined by the scalar product of 3D vectors of velocity and vorticity. In this contribution, we bring together different, both known in the literature and novel formulations of the helicity balance equation, by also taking into account the effects of air compressibility and Earth rotation. Equations and relationships are presented that are valid under different approximations customarily made in the dynamic meteorology, e.g. Boussinesq approximation, quasi-static approximation, quasi-geostrophic approximation. An emphasis is placed on the helicity budget analysis in large-scale atmospheric motions. An explicit expression is presented for the rate of helicity injection from the free atmosphere into a non-linear Ekman boundary layer. This injection is shown to be exactly balanced by the helicity viscous destruction within the boundary layer. It is conjectured that this helicity injection may characterize the intensity of atmospheric circulation in extratropical latitudes of both terrestrial hemispheres. Examples are provided based on re-analyses data. Vertical distribution of helicity and superhelicity in different Ekman boundary layers is also discussed.

  12. Building blocks for subleading helicity operators

    NASA Astrophysics Data System (ADS)

    Kolodrubetz, Daniel W.; Moult, Ian; Stewart, Iain W.

    2016-05-01

    On-shell helicity methods provide powerful tools for determining scattering amplitudes, which have a one-to-one correspondence with leading power helicity operators in the Soft-Collinear Effective Theory (SCET) away from singular regions of phase space. We show that helicity based operators are also useful for enumerating power suppressed SCET operators, which encode subleading amplitude information about singular limits. In particular, we present a complete set of scalar helicity building blocks that are valid for constructing operators at any order in the SCET power expansion. We also describe an interesting angular momentum selection rule that restricts how these building blocks can be assembled.

  13. Magnetic helicity in emerging solar active regions

    SciTech Connect

    Liu, Y.; Hoeksema, J. T.; Bobra, M.; Hayashi, K.; Sun, X.; Schuck, P. W.

    2014-04-10

    Using vector magnetic field data from the Helioseismic and Magnetic Imager instrument aboard the Solar Dynamics Observatory, we study magnetic helicity injection into the corona in emerging active regions (ARs) and examine the hemispheric helicity rule. In every region studied, photospheric shearing motion contributes most of the helicity accumulated in the corona. In a sample of 28 emerging ARs, 17 follow the hemisphere rule (61% ± 18% at a 95% confidence interval). Magnetic helicity and twist in 25 ARs (89% ± 11%) have the same sign. The maximum magnetic twist, which depends on the size of an AR, is inferred in a sample of 23 emerging ARs with a bipolar magnetic field configuration.

  14. Helical axis stellarator with noninterlocking planar coils

    DOEpatents

    Reiman, Allan; Boozer, Allen H.

    1987-01-01

    A helical axis stellarator using only noninterlocking planar, non-circular coils, generates magnetic fields having a magnetic well and large rotational transform with resultant large equilibrium beta.

  15. Hydrothermal synthesis of two copper helical coordination polymers with acentric three-dimensional framework constructing from mixed pyridine carboxylates

    SciTech Connect

    Zhang Shuai; Cao Yanning; Zhang Hanhui Chai Xiaochuan; Chen Yiping

    2008-03-15

    Two copper helical coordination polymers, [Cu(2-pc)(3-pc)]{sub n}1 and [Cu(2-pc)(4-pc)]{sub n}2 (2-pc=2-pyridine carboxylate, 3-pc=3-pyridine carboxylate, 4-pc=4-pyridine carboxylate) have been hydrothermally synthesized directly from pyridine carboxylic acids and copper nitrate. The crystal structure were determined by single-crystal X-ray diffraction with the following data: compound 1, orthorhombic, P2{sub 1}2{sub 1}2{sub 1}, a=6.591(3) A, b=8.692(5) A, c=20.548(9) A, V=1177.2(9) A{sup 3}, Z=4; compound 2, orthorhombic, Pna2{sub 1}, a=21.160(10) A, b=9.095(5) A, c=6.401(3) A, V=1231.9(11) A{sup 3}, Z=4. The acentric three-dimensional (3D) framework of 1 is constructed from right-handed helical Cu(2-pc) chains and left-handed Cu(3-pc) helices. As for 2, Cu(2-pc) helical chains, in which left- and right-handed helices are coexisting, and Cu(4-pc) zigzag chains combined together to form acentric 3D architecture of 2 as well. Additionally, besides general spectral characterization, we first introduce generalized 2D correlation spectroscopy to explore the coordination polymers and ascertain the stretching vibration location of carboxylate groups of compounds 1 and 2. -- Abstract: Two copper helical coordination polymers, [Cu(2-pc)(3-pc)]{sub n}1 and [Cu(2-pc)(4-pc)]{sub n}2 have been obtained by hydrothermal synthesis. Both two compounds crystallized in non-centrosymmetric space groups, P2{sub 1}2{sub 1}2{sub 1} and Pna2{sub 1}, respectively. The 3D framework of 1 is constructed from right-handed helical Cu(2-pc) chains and left-handed Cu(3-pc) helices. As for 2, Cu(2-pc) helical chains, in which left- and right-handed helices are coexisting, and Cu(4-pc) zigzag chains combined together to form 3D architecture of 2 as well.

  16. Helical tomotherapy superficial dose measurements

    SciTech Connect

    Ramsey, Chester R.; Seibert, Rebecca M.; Robison, Benjamin; Mitchell, Martha

    2007-08-15

    Helical tomotherapy is a treatment technique that is delivered from a 6 MV fan beam that traces a helical path while the couch moves linearly into the bore. In order to increase the treatment delivery dose rate, helical tomotherapy systems do not have a flattening filter. As such, the dose distributions near the surface of the patient may be considerably different from other forms of intensity-modulated delivery. The purpose of this study was to measure the dose distributions near the surface for helical tomotherapy plans with a varying separation between the target volume and the surface of an anthropomorphic phantom. A hypothetical planning target volume (PTV) was defined on an anthropomorphic head phantom to simulate a 2.0 Gy per fraction IMRT parotid-sparing head and neck treatment of the upper neck nodes. A total of six target volumes were created with 0, 1, 2, 3, 4, and 5 mm of separation between the surface of the phantom and the outer edge of the PTV. Superficial doses were measured for each of the treatment deliveries using film placed in the head phantom and thermoluminescent dosimeters (TLDs) placed on the phantom's surface underneath an immobilization mask. In the 0 mm test case where the PTV extends to the phantom surface, the mean TLD dose was 1.73{+-}0.10 Gy (or 86.6{+-}5.1% of the prescribed dose). The measured superficial dose decreases to 1.23{+-}0.10 Gy (61.5{+-}5.1% of the prescribed dose) for a PTV-surface separation of 5 mm. The doses measured by the TLDs indicated that the tomotherapy treatment planning system overestimates superficial doses by 8.9{+-}3.2%. The radiographic film dose for the 0 mm test case was 1.73{+-}0.07 Gy, as compared to the calculated dose of 1.78{+-}0.05 Gy. Given the results of the TLD and film measurements, the superficial calculated doses are overestimated between 3% and 13%. Without the use of bolus, tumor volumes that extend to the surface may be underdosed. As such, it is recommended that bolus be added for these

  17. Substrate specificity and inhibitor analyses of human steroid 5β-reductase (AKR1D1)

    PubMed Central

    Chen, Mo; Drury, Jason E.; Penning, Trevor M.

    2011-01-01

    Human steroid 5β-reductase (Aldo-keto Reductase 1D1) catalyzes the stereospecific NADPH-dependent reduction of the C4-C5 double bond of Δ4-ketosteroids to yield an A/B cis-ring junction. This cis-configuration is crucial for bile acid biosynthesis and plays important roles in steroid metabolism. The biochemical properties of the enzyme have not been thoroughly studied and conflicting data have been reported, partially due to the lack of highly homogeneous protein. In the present study, we systematically determined the substrate specificity of homogeneous human recombinant AKR1D1 using C18, C19, C21, and C27 Δ4-ketosteroids and assessed the pH-rate dependence of the enzyme. Our results show that AKR1D1 proficiently reduced all the steroids tested at physiological pH, indicating AKR1D1 is the only enzyme necessary for all the 5β-steroid metabolite present in humans. Substrate inhibition was observed with C18 to C21 steroids provided that the side-chain at C17 was unsubstituted. This structure activity relationship can be explained by the existence of a small alternative substrate binding pocket revealed by the AKR1D1 crystal structure. Non-steroidal anti-inflammatory drugs which are potent inhibitors of the related AKR1C enzymes do not inhibit AKR1D1 by contrast chenodeoxycholate and ursodeoxycholate were found to be potent non-competitive inhibitors suggesting that bile-acids may regulate their own synthesis at the level of AKR1D1 inhibition. PMID:21255593

  18. A theoretical model for the magnetic helicity of solar active regions

    NASA Astrophysics Data System (ADS)

    Chatterjee, Piyali; Choudhuri, Arnab Rai; Petrovay, Kristof; Nandy, Dibyendu

    Active regions on the solar surface are known to possess magnetic helicity, which is predominantly negative in the northern hemisphere and positive in the southern hemisphere. Choudhuri et al. [Choudhuri, A.R. On the connection between mean field dynamo theory and flux tubes. Solar Phys. 215, 31 55, 2003] proposed that the magnetic helicity arises due to the wrapping up of the poloidal field of the convection zone around rising flux tubes which form active regions. Choudhuri [Choudhuri, A.R., Chatterjee, P., Nandy, D. Helicity of solar active regions from a dynamo model. ApJ 615, L57 L60, 2004] used this idea to calculate magnetic helicity from their solar dynamo model. Apart from getting broad agreements with observational data, they also predict that the hemispheric helicity rule may be violated at the beginning of a solar cycle. Chatterjee et al. [Chatterjee, P., Choudhuri, A.R., Petrovay, K. Development of twist in an emerging magnetic flux tube by poloidal field accretion. A&A 449, 781 789, 2006] study the penetration of the wrapped poloidal field into the rising flux tube due to turbulent diffusion using a simple 1-d model. They find that the extent of penetration of the wrapped field will depend on how weak the magnetic field inside the rising flux tube becomes before its emergence. They conclude that more detailed observational data will throw light on the physical conditions of flux tubes just before their emergence to the photosphere.

  19. A Spring-Like Behavior of Chiral Block Copolymer with Helical Nanostructure Driven by Crystallization

    SciTech Connect

    Chiang, W.; Ho, R; Thomas, E; Burger, C; Hsiao, B

    2009-01-01

    The crystallization of helical nanostructure resulting from the self-assembly of a chiral diblock copolymer, poly(styrene)-b-poly(L-lactide) (PS-PLLA), is studied. Various crystalline PS-PLLA nanostructures are obtained by controlling the crystallization temperature of PLLA (T{sub c,PLLA}), at which crystalline helices and crystalline cylinders occur while T{sub c,PLLA} < T{sub g,PS} (the glass transition temperature of PS) and T{sub c,PLLA} T{sub g,PS}, respectively. As evidenced by selected-area electron diffraction and two-dimensional X-ray diffraction results, the PLLA crystallites under confinement reveal a unique anisotropic character regardless of the crystallization temperature. On the basis of observed uniaxial scattering results the PLLA crystallites grown within the microdomains are identified as crystals with preferential growth directions either along the [100] or along the [110]-axes of the PLLA crystalline unit cell, at which the molecular chains and the growth direction are normal and parallel to the central axes of helices, respectively. The formation of this exclusive crystalline growth is attributed to the spatial confinement effect for crystallization. While T{sub c,PLLA} < T{sub g,PS}, owing to the directed crystallization by helical confinement, the preferential crystalline growth leads to the crystallization following a helical track with growth direction parallel to the central axes of helices through a twisting mechanism. Consequently, winding crystals with specific crystallographic orientation within the helical microdomains can be found. By contrast, while T{sub c,PLLA} {ge} T{sub g,PS}, the preferential growth may modulate the curvature of microdomains by shifting the molecular chains to access the fast path for crystalline growth due to the increase in chain mobility. As a result, a spring-like behavior of the helical nanostructure can be driven by crystallization so as to dictate the transformation of helices, resulting in crystalline

  20. A semi-analytical study on helical springs made of shape memory polymer

    NASA Astrophysics Data System (ADS)

    Baghani, M.; Naghdabadi, R.; Arghavani, J.

    2012-04-01

    In this paper, the responses of shape memory polymer (SMP) helical springs under axial force are studied both analytically and numerically. In the analytical solution, we first derive the response of a cylindrical tube under torsional loadings. This solution can be used for helical springs in which both the curvature and pitch effects are negligible. This is the case for helical springs with large ratios of the mean coil radius to the cross sectional radius (spring index) and also small pitch angles. Making use of this solution simplifies the analysis of the helical springs to that of the torsion of a straight bar with circular cross section. The 3D phenomenological constitutive model recently proposed for SMPs is also reduced to the 1D shear case. Thus, an analytical solution for the torsional response of SMP tubes in a full cycle of stress-free strain recovery is derived. In addition, the curvature effect is added to the formulation and the SMP helical spring is analyzed using the exact solution presented for torsion of curved SMP tubes. In this modified solution, the effect of the direct shear force is also considered. In the numerical analysis, the 3D constitutive equations are implemented in a finite element program and a full cycle of stress-free strain recovery of an SMP (extension or compression) helical spring is simulated. Analytical and numerical results are compared and it is shown that the analytical solution gives accurate stress distributions in the cross section of the helical SMP spring besides the global load-deflection response. Some case studies are presented to show the validity of the presented analytical method.

  1. Human serotonin 1D receptor is encoded by a subfamily of two distinct genes: 5-HT1D alpha and 5-HT1D beta.

    PubMed Central

    Weinshank, R L; Zgombick, J M; Macchi, M J; Branchek, T A; Hartig, P R

    1992-01-01

    The serotonin 1D (5-HT1D) receptor is a pharmacologically defined binding site and functional receptor site. Observed variations in the properties of 5-HT1D receptors in different tissues have led to the speculation that multiple receptor proteins with slightly different properties may exist. We report here the cloning, deduced amino acid sequences, pharmacological properties, and second-messenger coupling of a pair of human 5-HT1D receptor genes, which we have designated 5-HT1D alpha and 5-HT1D beta due to their strong similarities in sequence, pharmacological properties, and second-messenger coupling. Both genes are free of introns in their coding regions, are expressed in the human cerebral cortex, and can couple to inhibition of adenylate cyclase activity. The pharmacological binding properties of these two human receptors are very similar, and match closely the pharmacological properties of human, bovine, and guinea pig 5-HT1D sites. Both receptors exhibit high-affinity binding of sumatriptan, a new anti-migraine medication, and thus are candidates for the pharmacological site of action of this drug. Images PMID:1565658

  2. Spheromak Power and Helicity Balance

    SciTech Connect

    Thomassen, K.I.

    2000-05-18

    This note addresses the division of gun power and helicity between the open line volume and the closed flux surface volume in a steady state flux core spheromak. Our assumptions are that fine scale turbulence maintains each region close to a Taylor state, {mu}{sub o}J = {lambda}B. The gun region that feeds these two volumes surrounded by a flux conserver is shown topologically below. (The actual geometry is toroidal). Flux and current from the magnetized gun flow on open lines around the entire closed surface containing the spheromak. The gun current flows down the potential gradient, the potential difference between the two ends of each line being the gun voltage. Here, the gun voltage excludes the sheath drops at each end. When these volumes have different values of {lambda} (ratio of {mu}{sub o}B{sup -2}j {center_dot} B in each region) in the open line volume V{sub 1} and the closed spheromak volume V{sub 2} the efficiency of transferring the gun power to the spheromak to sustain the ohmic loss is the {lambda}-ratio of these regions, in the limit V{sub 1} << V{sub 2}. This result follows immediately from helicity balance in that limit. Here we give an accounting of all the gun power, and do not assume a small edge (open line) region.

  3. Helical coil thermal hydraulic model

    NASA Astrophysics Data System (ADS)

    Caramello, M.; Bertani, C.; De Salve, M.; Panella, B.

    2014-11-01

    A model has been developed in Matlab environment for the thermal hydraulic analysis of helical coil and shell steam generators. The model considers the internal flow inside one helix and its associated control volume of water on the external side, both characterized by their inlet thermodynamic conditions and the characteristic geometry data. The model evaluates the behaviour of the thermal-hydraulic parameters of the two fluids, such as temperature, pressure, heat transfer coefficients, flow quality, void fraction and heat flux. The evaluation of the heat transfer coefficients as well as the pressure drops has been performed by means of the most validated literature correlations. The model has been applied to one of the steam generators of the IRIS modular reactor and a comparison has been performed with the RELAP5/Mod.3.3 code applied to an inclined straight pipe that has the same length and the same elevation change between inlet and outlet of the real helix. The predictions of the developed model and RELAP5/Mod.3.3 code are in fairly good agreement before the dryout region, while the dryout front inside the helical pipes is predicted at a lower distance from inlet by the model.

  4. Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles

    PubMed Central

    Jaeken, Jan W; De Baerdemacker, Stijn; Lejaeghere, Kurt; Van Speybroeck, Veronique

    2014-01-01

    Summary The geometric and electronic structure of the MIL-47(V) metal-organic framework (MOF) is investigated by using ab initio density functional theory (DFT) calculations. Special focus is placed on the relation between the spin configuration and the properties of the MOF. The ground state is found to be antiferromagnetic, with an equilibrium volume of 1554.70 Å3. The transition pressure of the pressure-induced large-pore-to-narrow-pore phase transition is calculated to be 82 MPa and 124 MPa for systems with ferromagnetic and antiferromagnetic chains, respectively. For a mixed system, the transition pressure is found to be a weighted average of the ferromagnetic and antiferromagnetic transition pressures. Mapping DFT energies onto a simple-spin Hamiltonian shows both the intra- and inter-chain coupling to be antiferromagnetic, with the latter coupling constant being two orders of magnitude smaller than the former, suggesting the MIL-47(V) to present quasi-1D behavior. The electronic structure of the different spin configurations is investigated and it shows that the band gap position varies strongly with the spin configuration. The valence and conduction bands show a clear V d-character. In addition, these bands are flat in directions orthogonal to VO6 chains, while showing dispersion along the the direction of the VO6 chains, similar as for other quasi-1D materials. PMID:25383285

  5. Selective Dynamic Assembly of Disulfide Macrocyclic Helical Foldamers with Remote Communication of Handedness.

    PubMed

    Tsiamantas, Christos; de Hatten, Xavier; Douat, Céline; Kauffmann, Brice; Maurizot, Victor; Ihara, Hirotaka; Takafuji, Makoto; Metzler-Nolte, Nils; Huc, Ivan

    2016-06-01

    Disulfide bridge formation was investigated in helical aromatic oligoamide foldamers. Depending on the position of thiol-bearing side chains, exclusive intramolecular or intermolecular disulfide bridging may occur. The two processes are capable of self-sorting, presumably by dynamic exchange. Quantitative assessment of helix handedness inversion rates showed that bridging stabilizes the folded structures. Intermolecular disulfide bridging serendipitously yielded a well-defined, C2 -symmetrical, two-helix bundle-like macrocyclic structure in which complete control over relative handedness, that is, helix-helix handedness communication, is mediated remotely by the disulfide bridged side chains in the absence of contacts between helices. MM calculations suggest that this phenomenon is specific to a given side chain length and requires disulfide functions. PMID:27101565

  6. Alpha-turn mimetics: short peptide alpha-helices composed of cyclic metallopentapeptide modules.

    PubMed

    Kelso, Michael J; Beyer, Renée L; Hoang, Huy N; Lakdawala, Ami S; Snyder, James P; Oliver, Warren V; Robertson, Tom A; Appleton, Trevor G; Fairlie, David P

    2004-04-21

    Alpha-Helices are key structural components of proteins and important recognition motifs in biology. Short peptides (helical sequences are rarely helical away from their stabilizing protein environments. New techniques for stabilizing short peptide helices could be valuable for studying protein folding, modeling proteins, creating artificial proteins, and may aid the design of inhibitors or mimics of protein function. This study reports the facile incorporation of 3- and 4-alpha turns in 10-15 residue peptides through formation in situ of multiple cyclic metallopeptide modules [Pd(en)(H*XXXH*)](2+). The nonhelical peptides Ac-H*ELTH*H*VTDH*-NH(2) (1), Ac-H*ELTH*AVTDYH*ELTH*-NH(2) (2), and Ac-H*AAAH*HELTH*H*VTDH*-NH(2) (3) (H is histidine-methylated at imidazole-N3) react in N,N-dimethylformamide (DMF) or water with 2, 2, and 3 molar equivalents, respectively, of [Pd(en)(NO(3))(2)] to form exclusively [Pd(2)(en)(2)(Ac-H*ELTH*H*VTDH*-NH(2))](4+) (4), [Pd(2)(en)(2)(Ac-H*ELTH*AVTDYH*ELTH*-NH(2))](4+) (5), and [Pd(3)(en)(3)(Ac-H*AAAH*HELTH*H*VTDH*-NH(2))](6+) (6), characterized by mass spectrometry, 1D and 2D (1)H- and 1D (15)N-NMR spectroscopy. Despite the presence of multiple histidines and other possible metal-binding residues in these peptides, 2D (1)H NMR spectra reveal that Pd(en)(2+) is remarkably specific in coordinating to imidazole-N1 of only (i, i + 4) pairs of histidines (i.e., only those separated by three amino acids), resulting in 4-6 made up of cyclic metallopentapeptide modules ([Pd(en)(H*XXXH*)](2+))(n), n = 2, 2, 3, respectively, each cycle being a 22-membered ring. We have previously shown that a single metallopentapeptide can nucleate alpha-helicity (Kelso et al., Angew. Chem., Int. Ed. 2003, 42, 421-424.). We now demonstrate its use as an alpha-turn-mimicking module for the facile conversion of unstructured short peptides into helices of macrocycles and provide 1D and 2D NMR spectroscopic data, structure

  7. The AGS synchrotron with four helical magnets

    SciTech Connect

    Tsoupas N.; Huang, H.; Roser, T.; MacKay, W.W.; Trbojevic, D.

    2012-05-20

    The idea of using two partial helical magnets was applied successfully to the AGS synchrotron to preserve the proton beam polarization. In this paper we explore in details the idea of using four helical magnets placed symmetrically in the AGS ring. The placement of four helical magnets in the AGS ring provides many advantages over the present setup of the AGS which uses two partial helical magnets. First, the symmetric placement of the four helical magnets allows for a better control of the AGS optics with reduced values of the beta functions especially near beam injection, second, the vertical spin direction during beam injection and extraction is closer to vertical, and third, it provides for a larger 'spin tune gap', which allows the vertical and horizontal tunes to be placed, and prevent the horizontal and vertical intrinsic spin resonances of the AGS to occur during the acceleration cycle. Although the same spin gap can be obtained with a single or two partial helices, the required high field strength of a single helix makes its use impractical, and that of the double helix rather difficult. In this paper we will provide results on the spin tune and on the optics of the AGS with four partial helical magnets, and compare these results with the present setup of the AGS that uses two partial helical magnets.

  8. Magnetic Helicity and the Solar Dynamo

    NASA Technical Reports Server (NTRS)

    Canfield, Richard C.

    1997-01-01

    The objective of this investigation is to open a new window into the solar dynamo, convection, and magnetic reconnection through measurement of the helicity density of magnetic fields in the photosphere and tracing of large-scale patterns of magnetic helicity in the corona.

  9. Hydrodynamic characteristics of the helical flow pump.

    PubMed

    Ishii, Kohei; Hosoda, Kyohei; Nishida, Masahiro; Isoyama, Takashi; Saito, Itsuro; Ariyoshi, Koki; Inoue, Yusuke; Ono, Toshiya; Nakagawa, Hidemoto; Sato, Masami; Hara, Sintaro; Lee, Xinyang; Wu, Sheng-Yuan; Imachi, Kou; Abe, Yusuke

    2015-09-01

    The helical flow pump (HFP) was invented to be an ideal pump for developing the TAH and the helical flow TAH (HFTAH) using two HFPs has been developed. However, since the HFP is quite a new pump, hydrodynamic characteristics inside the pump are not clarified. To analyze hydrodynamic characteristics of the HFP, flow visualization study using the particle image velocimetry and computational fluid dynamics analysis were performed. The experimental and computational models were developed to simulate the left HFP of the HFTAH and distributions of flow velocity vectors, shear stress and pressure inside the pump were examined. In distribution of flow velocity vectors, the vortexes in the vane were observed, which indicated that the HFP has a novel and quite unique working principle in which centrifugal force rotates the fluid in the helical volutes and the fluid is transferred from the inlet to the outlet helical volutes according to the helical structure. In distribution of shear stress, the highest shear stress that was considered to be occurred by the shunt flow across the impeller was found around the entrance of the inlet helical volute. However, it was not so high to cause hemolysis. This shunt flow is thought to be improved by redesigning the inlet and outlet helical volutes. In distribution of pressure, negative pressure was found near the entrance of the inlet helical volute. However, it was not high. Negative pressure is thought to be reduced with an improvement in the design of the impeller or the vane shape. PMID:25784463

  10. Simplified Fabrication of Helical Copper Antennas

    NASA Technical Reports Server (NTRS)

    Petro, Andrew

    2006-01-01

    A simplified technique has been devised for fabricating helical antennas for use in experiments on radio-frequency generation and acceleration of plasmas. These antennas are typically made of copper (for electrical conductivity) and must have a specific helical shape and precise diameter.

  11. Chiral self-assembly of helical particles.

    PubMed

    Kolli, Hima Bindu; Cinacchi, Giorgio; Ferrarini, Alberta; Giacometti, Achille

    2016-04-12

    The shape of the building blocks plays a crucial role in directing self-assembly towards desired architectures. Out of the many different shapes, the helix has a unique position. Helical structures are ubiquitous in nature and a helical shape is exhibited by the most important biopolymers like polynucleotides, polypeptides and polysaccharides as well as by cellular organelles like flagella. Helical particles can self-assemble into chiral superstructures, which may have a variety of applications, e.g. as photonic (meta)materials. However, a clear and definite understanding of these structures has not been entirely achieved yet. We have recently undertaken an extensive investigation on the phase behaviour of hard helical particles, using numerical simulations and classical density functional theory. Here we present a detailed study of the phase diagram of hard helices as a function of their morphology. This includes a variety of liquid-crystal phases, with different degrees of orientational and positional ordering. We show how, by tuning the helix parameters, it is possible to control the organization of the system. Starting from slender helices, whose phase behaviour is similar to that of rodlike particles, an increase in curliness leads to the onset of azimuthal correlations between the particles and the formation of phases specific to helices. These phases feature a new kind of screw order, of which there is experimental evidence in colloidal suspensions of helical flagella. PMID:26767786

  12. Structure and interactions of biological helices

    NASA Astrophysics Data System (ADS)

    Kornyshev, Alexei A.; Lee, Dominic J.; Leikin, Sergey; Wynveen, Aaron

    2007-07-01

    Helices are essential building blocks of living organisms, be they molecular fragments of proteins ( α -helices), macromolecules (DNA and collagen), or multimolecular assemblies (microtubules and viruses). Their interactions are involved in packing of meters of genetic material within cells and phage heads, recognition of homologous genes in recombination and DNA repair, stability of tissues, and many other processes. Helical molecules form a variety of mesophases in vivo and in vitro. Recent structural studies, direct measurements of intermolecular forces, single-molecule manipulations, and other experiments have accumulated a wealth of information and revealed many puzzling physical phenomena. It is becoming increasingly clear that in many cases the physics of biological helices cannot be described by theories that treat them as simple, unstructured polyelectrolytes. The present article focuses on the most important and interesting aspects of the physics of structured macromolecules, highlighting various manifestations of the helical motif in their structure, elasticity, interactions with counterions, aggregation, and poly- and mesomorphic transitions.

  13. Helices of fractionalized Maxwell fluid

    NASA Astrophysics Data System (ADS)

    Jamil, Muhammad; Abro, Kashif Ali; Khan, Najeeb Alam

    2015-12-01

    In this paper the helical flows of fractionalized Maxwell fluid model, through a circular cylinder, is studied. The motion is produced by the cylinder that at the initial moment begins to rotate around its axis with an angular velocity Omegatp, and to slide along the same axis with linear velocity Utp. The solutions that have been obtained using Laplace and finite Hankel transforms and presented in series form in terms of the newly defined special function M(z), satisfy all imposed initial and boundary conditions. Moreover, the corresponding solutions for ordinary Maxwell and Newtonian fluid obtained as special cases of the present general solution. Finally, the influence of various pertinent parameters on fluid motion as well as the comparison among different fluids models is analyzed by graphical illustrations.

  14. Thermal deformation of helical gears

    NASA Astrophysics Data System (ADS)

    Zhang, Yong; Fei, Ye-tai; Liu, Shan-lin

    2010-08-01

    The analytical equation for the thermal field of a helical gear under normal working condition in a stable thermal field is established using mathematical physics, and the thermal deformation of the gear can be computed using this equation. The variations of gear geometric parameters, such as radial dimension, tooth depth, spiral angle, pressure angle, flank clearance and etc., are investigated with respect to the temperature change. According to the analytical and computational results obtained using the equation, the thermal deformation of the gear is strongly dependent on the choice of parameters, which is also confirmed using simulation software (COMSOL Multiphysic software). This is significant for the improvement of the rotation precision and working efficiency of screw gears.

  15. The quantum Hall effect helicity

    SciTech Connect

    Shrivastava, Keshav N.

    2015-04-16

    The quantum Hall effect in semiconductor heterostructures is explained by two signs in the angular momentum j=l±s and g=(2j+1)/(2l+1) along with the Landau factor (n+1/2). These modifications in the existing theories explain all of the fractional charges. The helicity which is the sign of the product of the linear momentum with the spin p.s plays an important role for the understanding of the data at high magnetic fields. In particular it is found that particles with positive sign in the spin move in one direction and those with negative sign move in another direction which explains the up and down stream motion of the particles.

  16. Adding helicity to inflationary magnetogenesis

    SciTech Connect

    Caprini, Chiara; Sorbo, Lorenzo E-mail: sorbo@physics.umass.edu

    2014-10-01

    The most studied mechanism of inflationary magnetogenesis relies on the time-dependence of the coefficient of the gauge kinetic term F{sub μν} F{sup μν}. Unfortunately, only extremely finely tuned versions of the model can consistently generate the cosmological magnetic fields required by observations. We propose a generalization of this model, where also the pseudoscalar invariant F{sub μν}  F-tilde {sup μν} is multiplied by a time dependent function. The new parity violating term allows more freedom in tuning the amplitude of the field at the end of inflation. Moreover, it leads to a helical magnetic field that is amplified at large scales by magnetohydrodynamical processes during the radiation dominated epoch. As a consequence, our model can satisfy the observational lower bounds on fields in the intergalactic medium, while providing a seed for the galactic dynamo, if inflation occurs at an energy scale ranging from 10{sup 5} to 10{sup 10} GeV. Such energy scale is well below that suggested by the recent BICEP2 result, if the latter is due to primordial tensor modes. However, the gauge field is a source of tensors during inflation and generates a spectrum of gravitational waves that can give a sizable tensor to scalar ratio r=O(0.2) even if inflation occurs at low energies. This system therefore evades the Lyth bound. For smaller values of r, lower values of the inflationary energy scale are required. The model predicts fully helical cosmological magnetic fields and a chiral spectrum of primordial gravitational waves.

  17. 1D to 3D and Chiral to Noncentrosymmetric Metal-Organic Complexes Controlled by the Amount of DEF Solvent: Photoluminescent and NLO Properties.

    PubMed

    Wen, Yuehong; Sheng, Tianlu; Zhuo, Chao; Zhu, Xiaoquan; Hu, Shengmin; Cao, Wenhai; Li, Haoran; Zhang, Hao; Wu, Xintao

    2016-05-01

    A mixture of 2D and 1D metal-organic complexes, [ZnL(H2O)2·G1·DEF·2H2O]n (1a: G1 = naphthalene-2,7-disulfonate; DEF = N,N-diethylformamide) and [ZnL(H2O)3·G1·DEF·2H2O]n (2), has been prepared from a hydrogenated Schiff base L and Zn(II) in a DEF-contained solvent system under mild conditions. The yields of 1a and 2 are equivalent; however, they can be tuned by varying the amount of DEF solvent. Increasing the use of DEF tends to form pure 1a, while decreasing it generates 2. Without DEF, another novel 3D four-connected CdSO4 (cds) framework [ZnL(H2O)2·G1·2H2O]n (3) composed of alternated right-handed and left-handed helical chains has been constructed. The amount of DEF solvent has a significant impact on the diverse coordination architectures of 1-3, which is rare in the preparation of metal-organic complexes. The photoluminescence of complexes 1-3 along with naphthalene-2,7-disulfonate has been investigated in the solid state. The luminescent emission of G1 was enhanced greatly after being confined into metal-organic networks. In addition, complexes 1-3 display second-harmonic generation efficiencies, which are approximately 0.58, 0.42, 0.32, and 0.52 times as much as that of potassium dihydrogen phosphate. PMID:27093469

  18. Enantioselective synthesis of helical polydiacetylene by application of linearly polarized light and magnetic field

    NASA Astrophysics Data System (ADS)

    Xu, Yangyang; Yang, Guang; Xia, Hongyan; Zou, Gang; Zhang, Qijin; Gao, Jiangang

    2014-09-01

    Magnetic optical activity, which can occur in all media and is induced by longitudinal magnetic field, causes the difference in absorption coefficients of left and right circularly polarized light and has the potential for magnetically induced enantioselectivity in chemical reactions. Compared with the well-established technique with circularly polarized light, there are few reports on the production of helical conjugated polymers in a photochemical reaction based on above magnetochiral anisotropy mechanism. Herein, we demonstrate experimentally that the enantioselective polymerization of diacetylene derivative can be achieved in the liquid crystal phase by application of linearly polarized light under a parallel or antiparallel magnetic field. The screw direction of predominant helical polydiacetylene chain can be rigorously controlled with the relative orientation of linearly polarized light and the magnetic field. Moreover, the prepared helical polydiacetylene assemblies can serve as a direct visual probe for the enantioselective recognition of D- or L-lysine.

  19. Brady 1D seismic velocity model ambient noise prelim

    DOE Data Explorer

    Mellors, Robert J.

    2013-10-25

    Preliminary 1D seismic velocity model derived from ambient noise correlation. 28 Green's functions filtered between 4-10 Hz for Vp, Vs, and Qs were calculated. 1D model estimated for each path. The final model is a median of the individual models. Resolution is best for the top 1 km. Poorly constrained with increasing depth.

  20. Spontaneous sense inversion in helical mesophases

    NASA Astrophysics Data System (ADS)

    Wensink, H. H.

    2014-08-01

    We investigate the pitch sensitivity of chiral nematic phases of helicoidal patchy cylinders as a generic model for chiral (bio-)polymers and helix-shaped colloidal rods. The behaviour of the macroscopic helical pitch is studied from microscopic principles by invoking a simple density functional theory generalised to accommodate weakly twisted director fields. Upon changing the degree of alignment along the local helicoidal director we find that chiral nematic phases exhibit a sudden sense inversion whereby the helical symmetry changes from left- to right-handed and vice versa. Since the local alignment is governed by thermodynamic variables such as density, temperature or the amplitude of an external directional field, such pitch sense inversions can be expected in systems of helical mesogens of both thermotropic and lyotropic origin. We show that the spontaneous change of helical symmetry is a direct consequence of an antagonistic effective torque between helical particles with a certain prescribed internal helicity. The results may help opening up new routes towards precise control of the helical handedness of chiral assemblies by a judicious choice of external control parameters.

  1. Magnetic Helicity in a Cyclic Convective Dynamo

    NASA Astrophysics Data System (ADS)

    Miesch, Mark S.; Zhang, Mei; Augustson, Kyle C.

    2016-05-01

    Magnetic helicity is a fundamental agent for magnetic self-organization in magnetohydrodynamic (MHD) dynamos. As a conserved quantity in ideal MHD, it establishes a strict topological coupling between large and small-scale magnetic fields. The generation of magnetic fields on scales larger than the velocity field is linked to an upscale transfer of magnetic helicity, either locally in spectral space as in the inverse cascade of magnetic helicity in MHD turbulence or non-locally, as in the turbulent alpha-effect of mean-field dynamo theory. Thus, understanding the generation, transport, and dissipation of magnetic helicity is an essential prerequisite to understanding manifestations of magnetic self-organization in the solar dynamo, including sunspots, the prominent dipole and quadrupole moments, and the 22-year magnetic activity cycle. We investigate the role of magnetic helicity in a convective dynamo model that exhibits regular magnetic cycles. The cycle is marked by coherent bands of toroidal field that persist within the convection zone and that are antisymmetric about the equator. When these toriodal bands interact across the equator, it initiates a global restructuring of the magnetic topology that contributes to the reversal of the dipole moment. Thus, the polar field reversals are preceeded by a brief reversal of the subsurface magnetic helicity. There is some evidence that the Sun may exhibit a similar magnetic helicity reversal prior to its polar field reversals.

  2. On the self-assembly of TiOx into 1D NP network nanostructures

    NASA Astrophysics Data System (ADS)

    Redel, Engelbert; Sai Kiran Chakravadhanula, Venkata; Lan, Yanhua; Natzeck, Carsten; Heissler, Stefan

    2015-02-01

    Here, we report for the first time a ‘ligand free’ method of designing 1D TiOx supramolecular network materials, which starts from Ti bare metal powder. Each TiOx oxidation step has been carefully investigated with different analytical techniques, including high resolution transmission electron microscopy/high resolution scanning electron microscopy (HRTEM/HRSEM), x-ray photoelectron spectroscopy (XPS), Raman spectroscopy and superconducting quantum interference device (SQUID) measurements. The self-assembly of TiOx nanoparticles (NPs) into 1D supramolecular nanoparticle networks is induced by the formation of mixed valent TiII,III species. The synthesis starts with etching a bare Ti surface, followed by a continuous oxidation of TiOx clusters and NPs, and it finally ends with the self-assembly into rigid 1D NPs chains. Today, such self-assembled 1D NP TiOx network materials are bridging the gap between the nanoscale and the macroscopic material world and will further provide interesting research opportunities.

  3. Magnetic Helicity in Solar Dynamo Simulations

    NASA Astrophysics Data System (ADS)

    Miesch, Mark; Augustson, Kyle C.; Zhang, Mei

    2015-08-01

    Magnetic helicity is a fundamental agent for magnetic self-organization in magnetohydrodynamic (MHD) dynamos. As a conserved quantity in ideal MHD, it establishes a strict topological coupling between large and small-scale magnetic fields. The generation of magnetic fields on scales larger than the velocity field is linked to an upscale transfer of magnetic helicity, either locally in spectral space as in the inverse cascade of magnetic helicity in MHD turbulence or non-locally, as in the turbulent alpha-effect of mean-field dynamo theory. Thus, understanding the generation, transport, and dissipation of magnetic helicity is an essential prerequisite to understanding manifestations of magnetic self-organization in the solar dynamo, including sunspots, the prominent dipole and quadrupole moments, and the 22-year magnetic activity cycle. Yet, despite its significance, magnetic helicity is often neglected in observational and theoretical studies of solar magnetism. This can be attributed to two factors; First, the calculation of the magnetic helicity is not unique; in general it depends on an electromagnetic guage through the magnetic vector potential. Second, unless it is explicitly calculated as part of the computational algorithm in numerical models, it is not always straightforward to obtain the magnetic vector potential. Here we consider gauge-invariant measures of the magnetic helicity and magnetic helicity flux and we describe how they can be computed from measurable quantities such as the magnetic field, the bulk plasma velocity, and the electrical current density. These measures can be applied to local Cartesian geometries as well as global spherical shells. Here we apply them to two global dynamo simulations, each exhibiting regular magnetic cycles. These include a convective MHD dynamo model and a 3-D Babcock-Leighton dynamo model. Both exhibit patterns of magnetic helicity evolution that reflect the global restructuring of the magnetic field over the

  4. Bethlem myopathy and engineered collagen VI triple helical deletions prevent intracellular multimer assembly and protein secretion.

    PubMed

    Lamandé, S R; Shields, K A; Kornberg, A J; Shield, L K; Bateman, J F

    1999-07-30

    Mutations in the genes that code for collagen VI subunits, COL6A1, COL6A2, and COL6A3, are the cause of the autosomal dominant disorder, Bethlem myopathy. Although three different collagen VI structural mutations have previously been reported, the effect of these mutations on collagen VI assembly, structure, and function is currently unknown. We have characterized a new Bethlem myopathy mutation that results in skipping of COL6A1 exon 14 during pre-mRNA splicing and the deletion of 18 amino acids from the triple helical domain of the alpha1(VI) chain. Sequencing of genomic DNA identified a G to A transition in the +1 position of the splice donor site of intron 14 in one allele. The mutant alpha1(VI) chains associated intracellularly with alpha2(VI) and alpha3(VI) to form disulfide-bonded monomers, but further assembly into dimers and tetramers was prevented, and molecules containing the mutant chain were not secreted. This triple helical deletion thus resulted in production of half the normal amount of collagen VI. To further explore the biosynthetic consequences of collagen VI triple helical deletions, an alpha3(VI) cDNA expression construct containing a 202-amino acid deletion within the triple helix was produced and stably expressed in SaOS-2 cells. The transfected mutant alpha3(VI) chains associated with endogenous alpha1(VI) and alpha2(VI) to form collagen VI monomers, but dimers and tetramers did not form and the mutant-containing molecules were not secreted. Thus, deletions within the triple helical region of both the alpha1(VI) and alpha3(VI) chains can prevent intracellular dimer and tetramer assembly and secretion. These results provide the first evidence of the biosynthetic consequences of structural collagen VI mutations and suggest that functional protein haploinsufficiency may be a common pathogenic mechanism in Bethlem myopathy. PMID:10419498

  5. Enhanced helical swimming in Boger fluids

    NASA Astrophysics Data System (ADS)

    Godinez, Francisco; Mendez-Rojano, Rodrigo; Zenit, Roberto; Lauga, Eric

    2014-11-01

    We conduct experiments with force-free magnetically-driven helical swimmers in Newtonian and viscoelastic (Boger) fluids. In order assess the effect of viscoelasticity on the swimming performance, we conduct experiments for swimmers with different helical tail geometries. We use helices with the same wave length and total length but vary the angle of the helix. As previously reported by the computational study of Spagniole and collaborators, we found that the swimming performance can either increase, decrease or remain unchanged, depending on the geometry of the tail. With the right geometry, the enhancement can be up to a factor of two.

  6. Helicity oscillations of Dirac and Majorana neutrinos

    NASA Astrophysics Data System (ADS)

    Dobrynina, Alexandra; Kartavtsev, Alexander; Raffelt, Georg

    2016-06-01

    The helicity of a Dirac neutrino with mass m evolves under the influence of a B field because it has a magnetic dipole moment proportional to m . Moreover, it was recently shown that a polarized or anisotropic medium engenders the same effect for both Dirac and Majorana neutrinos. Because a B field polarizes a background medium, it instigates helicity oscillations even for Majorana neutrinos unless the medium is symmetric between matter and antimatter. Motivated by these observations, we review the impact of a B field and of an anisotropic or polarized medium on helicity oscillations for Dirac and Majorana neutrinos from the common perspective of in-medium dispersion.

  7. Steering Chiral Swimmers along Noisy Helical Paths

    NASA Astrophysics Data System (ADS)

    Friedrich, Benjamin M.; Jülicher, Frank

    2009-08-01

    Chemotaxis along helical paths towards a target releasing a chemoattractant is found in sperm cells and many microorganisms. We discuss the stochastic differential geometry of the noisy helical swimming path of a chiral swimmer. A chiral swimmer equipped with a simple feedback system can navigate in a concentration gradient of chemoattractant. We derive an effective equation for the alignment of helical paths with a concentration gradient which is related to the alignment of a dipole in an external field and discuss the chemotaxis index.

  8. Thermally activated helicity reversals of skyrmions

    NASA Astrophysics Data System (ADS)

    Yu, X. Z.; Shibata, K.; Koshibae, W.; Tokunaga, Y.; Kaneko, Y.; Nagai, T.; Kimoto, K.; Taguchi, Y.; Nagaosa, N.; Tokura, Y.

    2016-04-01

    Magnetic bubbles with winding number S =1 are topologically equivalent to skyrmions. Here we report the discovery of helicity (in-plane magnetization-swirling direction) reversal of skyrmions, while keeping their hexagonal lattice form, at above room temperature in a thin hexaferrite magnet. We have observed that the frequency of helicity reversals dramatically increases with temperature in a thermally activated manner, revealing that the generation energy of a kink-soliton pair for switching helicity on a skyrmion rapidly decreases towards the magnetic transition temperature.

  9. Helical flux ropes in solar prominences

    NASA Technical Reports Server (NTRS)

    Martens, P. C. H.; Van Ballegooijen, A. A.

    1990-01-01

    The present numerical method for the computation of force-free, cancelling magnetic structures shows that flux cancellation at the neutral line in a sheared magnetic arcade generates helical field lines that can support a prominence's plasma. With increasing flux cancellation, the axis of the helical fields moves to greater heights; this is suggestive of a prominence eruption. Two alternative scenarios are proposed for the formation of polar crown prominences which yield the correct axial magnetic field sign. Both models are noted to retain the formation of helical flux tubes through flux cancellation as their key feature.

  10. Interaction of environmental contaminants with zebrafish organic anion transporting polypeptide, Oatp1d1 (Slco1d1)

    SciTech Connect

    Popovic, Marta; Zaja, Roko; Fent, Karl; Smital, Tvrtko

    2014-10-01

    Polyspecific transporters from the organic anion transporting polypeptide (OATP/Oatp) superfamily mediate the uptake of a wide range of compounds. In zebrafish, Oatp1d1 transports conjugated steroid hormones and cortisol. It is predominantly expressed in the liver, brain and testes. In this study we have characterized the transport of xenobiotics by the zebrafish Oatp1d1 transporter. We developed a novel assay for assessing Oatp1d1 interactors using the fluorescent probe Lucifer yellow and transient transfection in HEK293 cells. Our data showed that numerous environmental contaminants interact with zebrafish Oatp1d1. Oatp1d1 mediated the transport of diclofenac with very high affinity, followed by high affinity towards perfluorooctanesulfonic acid (PFOS), nonylphenol, gemfibrozil and 17α-ethinylestradiol; moderate affinity towards carbaryl, diazinon and caffeine; and low affinity towards metolachlor. Importantly, many environmental chemicals acted as strong inhibitors of Oatp1d1. A strong inhibition of Oatp1d1 transport activity was found by perfluorooctanoic acid (PFOA), chlorpyrifos-methyl, estrone (E1) and 17β-estradiol (E2), followed by moderate to low inhibition by diethyl phthalate, bisphenol A, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4 tetrahydronapthalene and clofibrate. In this study we identified Oatp1d1 as a first Solute Carrier (SLC) transporter involved in the transport of a wide range of xenobiotics in fish. Considering that Oatps in zebrafish have not been characterized before, our work on zebrafish Oatp1d1 offers important new insights on the understanding of uptake processes of environmental contaminants, and contributes to the better characterization of zebrafish as a model species. - Highlights: • We optimized a novel assay for determination of Oatp1d1 interactors • Oatp1d1 is the first SLC characterized fish xenobiotic transporter • PFOS, nonylphenol, diclofenac, EE2, caffeine are high affinity Oatp1d1substrates • PFOA, chlorpyrifos

  11. Dynamic charge interactions create surprising rigidity in the ER/K [alpha]-helical protein motif

    SciTech Connect

    Sivaramakrishnan, Sivaraj; Spink, Benjamin J.; Sim, Adelene Y.L.; Doniach, Sebastian; Spudich, James A.

    2009-06-30

    Protein {alpha}-helices are ubiquitous secondary structural elements, seldom considered to be stable without tertiary contacts. However, amino acid sequences in proteins that are based on alternating repeats of four glutamic acid (E) residues and four positively charged residues, a combination of arginine (R) and lysine (K), have been shown to form stable {alpha}-helices in a few proteins, in the absence of tertiary interactions. Here, we find that this ER/K motif is more prevalent than previously reported, being represented in proteins of diverse function from archaea to humans. By using molecular dynamics (MD) simulations, we characterize a dynamic pattern of side-chain interactions that extends along the backbone of ER/K {alpha}-helices. A simplified model predicts that side-chain interactions alone contribute substantial bending rigidity (0.5 pN/nm) to ER/K {alpha}-helices. Results of small-angle x-ray scattering (SAXS) and single-molecule optical-trap analyses are consistent with the high bending rigidity predicted by our model. Thus, the ER/K {alpha}-helix is an isolated secondary structural element that can efficiently span long distances in proteins, making it a promising tool in designing synthetic proteins. We propose that the significant rigidity of the ER/K {alpha}-helix can help regulate protein function, as a force transducer between protein subdomains.

  12. Noise reduction for helical computed tomography using coupled projections

    NASA Astrophysics Data System (ADS)

    Fan, Yi; Ma, Jianhua; Liu, Yan; Lu, Hongbing; Liang, Zhengrong

    2012-03-01

    Helical computed tomography (HCT) has demonstrated the effectiveness in virtual colonoscopy (VC) or CTcolonography (CTC). One major concern with this clinical application is associated with the risk of high radiation exposure, especially for its use for screening purpose at a large population. In this work, we presented an improved Karhunen-Loeve (KL) domain penalized weighted least-squares (PWLS) strategy which considers the data correlations among the projection rays mainly due to partially overlap while system rotates. Two 1-dimensional (1D) projections, which called coupled projections (CPs), are composed according to the geometry. Each element of the 1D projection is carefully selected for a specific point within 2π angle along the system rotates and thus a highly correlation can be observed between any specific projection and the CPs. These highly correlated projections can be treated by an adaptive KL-PWLS strategy for accurate noise reduction. This method has been implemented and tested on computer simulated sinograms which mimic low-dose CT scans. The reconstructed images by the presented strategy demonstrated the potential of ultra low-dose CT application.

  13. Phosphorylation and desensitization of alpha1d-adrenergic receptors.

    PubMed Central

    García-Sáinz, J A; Vázquez-Cuevas, F G; Romero-Avila, M T

    2001-01-01

    In rat-1 fibroblasts stably expressing rat alpha(1d)-adrenoceptors, noradrenaline and PMA markedly decreased alpha(1d)-adrenoceptor function (noradrenaline-elicited increases in calcium in whole cells and [(35)S]guanosine 5'-[gamma-thio]triphosphate binding in membranes), suggesting homologous and heterologous desensitizations. Photoaffinity labelling, Western blotting and immunoprecipitation identified alpha(1d)-adrenoceptors as a broad band of 70-80 kDa. alpha(1d)-Adrenoceptors were phosphorylated in the basal state and noradrenaline and PMA increased it. The effect of noradrenaline was concentration-dependent (EC(50) 75 nM), rapid (maximum at 1 min) and transient. Phorbol ester-induced phosphorylation was concentration-dependent (EC(50) 25 nM), slightly slower (maximum at 5 min) and stable for at least 60 min. Inhibitors of protein kinase C decreased the effect of phorbol esters but not that of noradrenaline. Evidence of cross-talk of alpha(1d)-adrenoceptors with receptors endogenously expressed in rat-1 fibroblasts was given by the ability of endothelin, lysophosphatidic acid and bradykinin to induce alpha(1d)-adrenoceptor phosphorylation. In summary, it is shown for the first time here that alpha(1d)-adrenoceptors are phosphoproteins and that receptor phosphorylation is increased by the natural ligand, noradrenaline, by direct activation of protein kinase C and via cross-talk with other receptors endogenously expressed in rat-1 fibroblasts. Receptor phosphorylation has functional repercussions. PMID:11171057

  14. On helical vortex motions of moist air

    NASA Astrophysics Data System (ADS)

    Kurgansky, M. V.

    2013-09-01

    Two results that are fundamentally different from what takes place in a dry atmosphere have been obtained for adiabatic motions of unsaturated moist air: (1) the steady helical motion of moist air with collinear velocity and vorticity vectors everywhere is dynamically impossible; (2) the spontaneous amplification (generation) of helicity in a moist air due to baroclinicity is dynamically and thermodynamically feasible. In the absence of helicity flux through the boundary of the domain occupied by air flows, the difference between the values of integral helicity H at time instant t delaying at a small time interval from the initial instant t 0 (at which the instantaneous state of air motion is isomorphic either to a steady Beltrami flow or to an irrotational flow) and the initial value of H increases proportionally to ( t - t 0)4. The nonzero value of the proportionality factor is ensured by the difference in values of the Poisson ratio for dry air and water vapor, respectively.

  15. Passive micromixers with dual helical channels

    NASA Astrophysics Data System (ADS)

    Liu, Keyin; Yang, Qing; Chen, Feng; Zhao, Yulong; Meng, Xiangwei; Shan, Chao; Li, Yanyang

    2015-02-01

    In this study, a three-dimensional (3D) micromixer with cross-linked double helical microchannels is studied to achieve rapid mixing of fluids at low Reynolds numbers (Re). The 3D micromixer takes full advantages of the chaotic advection model with helical microchannels; meanwhile, the proposed crossing structure of double helical microchannels enables two flow patterns of repelling flow and straight flow in the fluids to promote the agitation effect. The complex 3D micromixer is realized by an improved femtosecond laser wet etching (FLWE) technology embedded in fused silica. The mixing results show that cross-linked double helical microchannels can achieve excellent mixing within 3 cycles (300 μm) over a wide range of low Re (1.5×10-3~600), which compare well with the conventional passive micromixers. This highly-effective micromixer is hoped to contribute to the integration of microfluidic systems.

  16. Emergence of helicity in rotating stratified turbulence

    NASA Astrophysics Data System (ADS)

    Marino, Raffaele; Mininni, Pablo D.; Rosenberg, Duane; Pouquet, Annick

    2013-03-01

    We perform numerical simulations of decaying rotating stratified turbulence and show, in the Boussinesq framework, that helicity (velocity-vorticity correlation), as observed in supercell storms and hurricanes, is spontaneously created due to an interplay between buoyancy and rotation common to large-scale atmospheric and oceanic flows. Helicity emerges from the joint action of eddies and of inertia-gravity waves (with inertia and gravity with respective associated frequencies f and N), and it occurs when the waves are sufficiently strong. For N/f<3 the amount of helicity produced is correctly predicted by a quasilinear balance equation. Outside this regime, and up to the highest Reynolds number obtained in this study, namely Re≈10000, helicity production is found to be persistent for N/f as large as ≈17, and for ReFr2 and ReRo2, respectively, as large as ≈100 and ≈24000.

  17. Evolution of helicities in dynamo problems

    NASA Astrophysics Data System (ADS)

    Reshetnyak, M. Yu.

    2015-07-01

    The properties of wavelet spectra of kinetic and magnetic energies, as well as of helicities, are considered by the example of a three-dimensional dynamo model in a rapidly rotating a plane layer and heated from below. It is shown that the transition from the kinematic mode to the full dynamo mode is accompanied by a decrease in the magnetic energy of the system. The hydrodynamic helicity changes its sign by height and has the same sign for all scales. The current and magnetic helicities also have the dipole form of symmetry in the physical space; however, their sign at small and large scales is different—the so-called effect of separation in scales. The cross-helicity has no separation in scales, but it can change the sign with time so that its averaged value is small.

  18. Helical vortices: viscous dynamics and instability

    NASA Astrophysics Data System (ADS)

    Rossi, Maurice; Selcuk, Can; Delbende, Ivan; Ijlra-Upmc Team; Limsi-Cnrs Team

    2014-11-01

    Understanding the dynamical properties of helical vortices is of great importance for numerous applications such as wind turbines, helicopter rotors, ship propellers. Locally these flows often display a helical symmetry: fields are invariant through combined axial translation of distance Δz and rotation of angle θ = Δz / L around the same z-axis, where 2 πL denotes the helix pitch. A DNS code with built-in helical symmetry has been developed in order to compute viscous quasi-steady basic states with one or multiple vortices. These states will be characterized (core structure, ellipticity, ...) as a function of the pitch, without or with an axial flow component. The instability modes growing in the above base flows and their growth rates are investigated by a linearized version of the DNS code coupled to an Arnoldi procedure. This analysis is complemented by a helical thin-cored vortex filaments model. ANR HELIX.

  19. An unprecedented Ag-pipemidic acid complex with helical structure: Synthesis, structure and interaction with CT-DNA

    NASA Astrophysics Data System (ADS)

    Li, Meng-Ting; Sun, Jing-Wen; Sha, Jing-Quan; Wu, Hong-Bin; Zhang, Er-Lin; Zheng, Tao-Ye

    2013-08-01

    A new Ag-pipemidic acid complex with helical structure has been prepared and structurally characterized by routine technique. Single-crystal X-ray diffraction analysis shows that there are the left- and right-handed helical chains constructed by Ag ions and PPA drugs along the b direction. And two types of helical chains are connected into 2D layer by sharing pseudo-tetra-nuclear clusters, which are stabilized by PPA-1 molecules as scaffolds. UV study of the interaction of the complex with CT-DNA shows that the title complex can bind to the CT-DNA and exhibits the higher binding constant (Kb) than free HPPA drugs. Additionally, its competitive study with ethidium bromide and the relatively high KSV value also indicates that complex can bind to DNA for the intercalative binding sites.

  20. CURRENT HELICITY OF ACTIVE REGIONS AS A TRACER OF LARGE-SCALE SOLAR MAGNETIC HELICITY

    SciTech Connect

    Zhang, H.; Gao, Y.; Xu, H.; Moss, D.; Kleeorin, N.; Rogachevskii, I.; Kuzanyan, K.; Sokoloff, D.

    2012-05-20

    We demonstrate that the current helicity observed in solar active regions traces the magnetic helicity of the large-scale dynamo generated field. We use an advanced two-dimensional mean-field dynamo model with dynamo saturation based on the evolution of the magnetic helicity and algebraic quenching. For comparison, we also studied a more basic two-dimensional mean-field dynamo model with simple algebraic alpha-quenching only. Using these numerical models we obtained butterfly diagrams both for the small-scale current helicity and also for the large-scale magnetic helicity, and compared them with the butterfly diagram for the current helicity in active regions obtained from observations. This comparison shows that the current helicity of active regions, as estimated by -A {center_dot} B evaluated at the depth from which the active region arises, resembles the observational data much better than the small-scale current helicity calculated directly from the helicity evolution equation. Here B and A are, respectively, the dynamo generated mean magnetic field and its vector potential. A theoretical interpretation of these results is given.

  1. Planetary dynamos driven by helical waves - II

    NASA Astrophysics Data System (ADS)

    Davidson, P. A.; Ranjan, A.

    2015-09-01

    In most numerical simulations of the Earth's core the dynamo resides outside the tangent cylinder and may be crudely classified as being of the α2 type. In this region the flow comprises a sea of thin columnar vortices aligned with the rotation axis, taking the form of alternating cyclones and anticyclones. The dynamo is thought to be driven by these columnar vortices within which the flow is observed to be highly helical, helicity being a crucial ingredient of planetary dynamos. As noted in Davidson, one of the mysteries of this dynamo cartoon is the origin of the helicity, which is observed to be positive in the south and negative in the north. While Ekman pumping at the mantle can induce helicity in some of the overly viscous numerical simulations, it is extremely unlikely to be a significant source within planets. In this paper we return to the suggestion of Davidson that the helicity observed in the less viscous simulations owes its existence to helical wave packets, launched in and around the equatorial plane where the buoyancy flux is observed to be strong. Here we show that such wave packets act as a potent source of planetary helicity, constituting a simple, robust mechanism that yields the correct sign for h north and south of the equator. Since such a mechanism does not rely on the presence of a mantle, it can operate within both the Earth and the gas giants. Moreover, our numerical simulations show that helical wave packets dispersing from the equator produce a random sea of thin, columnar cyclone/anticyclone pairs, very like those observed in the more strongly forced dynamo simulations. We examine the local dynamics of helical wave packets dispersing from the equatorial regions, as well as the overall nature of an α2-dynamo driven by such wave packets. Our local analysis predicts the mean emf induced by helical waves, an analysis that rests on a number of simple approximations which are consistent with our numerical experiments, while our global

  2. Spheromak Power and Helicity Balance

    SciTech Connect

    Thomassen, K.I.

    2000-05-18

    This note addresses the division of gun power and helicity between the open line volume and the closed flux surface volume in a steady state flux core spheromak. Our assumptions are that fine scale turbulence maintains each region close to an axisymmetric Taylor state, {mu}{sub o}j = {lambda}B. The gun region that feeds these two volumes surrounded by a flux conserver is shown topologically below. (The actual geometry is toroidal). Flux and current from the magnetized gun flow on open lines around the entire closed surface containing the spheromak. The gun current flows down the potential gradient, the potential difference between the two ends of each line being the gun voltage. Here, the gun voltage excludes the sheath drops at each end. These volumes have different values of {lambda} in each region (open line volume V{sub 1} and closed spheromak volume V{sub 2}) and we want to calculate the efficiency of transferring the gun power to the spheromak to sustain the ohmic loss in steady state.

  3. Helical rotary screw expander power system

    NASA Technical Reports Server (NTRS)

    Mckay, R. A.; Sprankle, R. S.

    1974-01-01

    An energy converter for the development of wet steam geothermal fields is described. A project to evaluate and characterize a helical rotary screw expander for geothermal applications is discussed. The helical screw expander is a positive displacement machine which can accept untreated corrosive mineralized water of any quality from a geothermal well. The subjects of corrosion, mineral deposition, the expansion process, and experience with prototype devices are reported.

  4. Studies of Solar Helicity Using Vector Magnetograms

    NASA Technical Reports Server (NTRS)

    Hagyard, Mona J.; Pevstov, Alexei A.

    1999-01-01

    observations of photospheric magnetic fields made with vector magnetographs have been used recently to study solar helicity. In this paper we indicate what can and cannot be derived from vector magnetograms, and point out some potential problems in these data that could affect the calculations of 'helicity'. Among these problems are magnetic saturation, Faraday rotation, low spectral resolution, and the method of resolving the ambiguity in the azimuth.

  5. Long range correlations and folding angle with applications to α-helical proteins

    SciTech Connect

    Krokhotin, Andrey; Nicolis, Stam; Niemi, Antti J.

    2014-03-07

    The conformational complexity of chain-like macromolecules such as proteins and other linear polymers is much larger than that of point-like atoms and molecules. Unlike particles, chains can bend, twist, and even become knotted. Thus chains might also display a much richer phase structure. Unfortunately, it is not very easy to characterize the phase of a long chain. Essentially, the only known attribute is the radius of gyration. The way how it changes when the degree of polymerization becomes different, and how it evolves when the ambient temperature and solvent properties change, is commonly used to disclose the phase. But in any finite length chain there are corrections to scaling that complicate the detailed analysis of the phase structure. Here we introduce a quantity that we call the folding angle to identify and scrutinize the phase structure, as a complement to the radius of gyration. We argue for a mean-field level relationship between the folding angle and the scaling exponent in the radius of gyration. We then estimate the value of the folding angle in the case of crystallographic α-helical protein structures in the Protein Data Bank. We also show how the experimental value of the folding angle can be obtained computationally, using a semiclassical Born-Oppenheimer description of α-helical chiral chains.

  6. Exact spin dynamics of inhomogeneous 1-d systems at high temperature

    NASA Astrophysics Data System (ADS)

    Danieli, E. P.; Pastawski, H. M.; Levstein, P. R.

    2002-07-01

    The evaluation of spin excitation dynamics in finite 1-d systems of spins {1}/{2} with XY exchange interaction J acquired new interest because NMR experiments at high temperature ( kBT≫ J) confirmed the predicted spin wave behavior of mesoscopic echoes. In this work, we use the Jordan-Wigner transformation to obtain the exact dynamics of inhomogeneous chains and rings where the evolution is reduced to one-body dynamics. For higher dimensions, the spin excitations manifest many-body effects that can be interpreted as a simple dynamics of non-interacting fermions plus a decoherent process.

  7. Hierarchical amplification of macromolecular helicity of dynamic helical poly(phenylacetylene)s composed of chiral and achiral phenylacetylenes in dilute solution, liquid crystal, and two-dimensional crystal.

    PubMed

    Ohsawa, Sousuke; Sakurai, Shin-ichiro; Nagai, Kanji; Banno, Motonori; Maeda, Katsuhiro; Kumaki, Jiro; Yashima, Eiji

    2011-01-12

    Optically active poly(phenylacetylene) copolymers consisting of optically active and achiral phenylacetylenes bearing L-alanine decyl esters (1L) and 2-aminoisobutylic acid decyl esters (Aib) as the pendant groups (poly(1L(m)-co-Aib(n))) with various compositions were synthesized by the copolymerization of the optically active 1L with achiral Aib using a rhodium catalyst, and their chiral amplification of the macromolecular helicity in a dilute solution, a lyotropic liquid crystalline (LC) state, and a two-dimensional (2D) crystal on the substrate was investigated by measuring the circular dichroism of the copolymers, mesoscopic cholesteric twist in the LC state (cholesteric helical pitch), and high-resolution atomic force microscopy (AFM) images of the self-assembled 2D helix-bundles of the copolymer chains. We found that the macromolecular helicity of poly(1L(m)-co-Aib(n))s could be hierarchically amplified in the order of the dilute solution, LC state, and 2D crystal. In sharp contrast, almost no chiral amplification of the macromolecular helicity was observed for the homopolymer mixtures of 1L and Aib in the LC state and 2D crystal on graphite. PMID:21141965

  8. Bioinspired helical microswimmers based on vascular plants.

    PubMed

    Gao, Wei; Feng, Xiaomiao; Pei, Allen; Kane, Christopher R; Tam, Ryan; Hennessy, Camille; Wang, Joseph

    2014-01-01

    Plant-based bioinspired magnetically propelled helical microswimmers are described. The helical microstructures are derived from spiral water-conducting vessels of different plants, harnessing the intrinsic biological structures of nature. Geometric variables of the spiral vessels, such as the helix diameter and pitch, can be controlled by mechanical stretching for the precise fabrication and consistent performance of helical microswimmers. Xylem vessels of a wide variety of different plants have been evaluated for the consistency and reproducibility of their helical parameters. Sequential deposition of thin Ti and Ni layers directly on the spiral vessels, followed by dicing, leads to an extremely simple and cost-efficient mass-production of functional helical microswimmers. The resulting plant-based magnetic microswimmers display efficient propulsion, with a speed of over 250 μm/s, as well as powerful locomotion in biological media such as human serum. The influence of actuation frequencies on the swimming velocity is investigated. Such use of plant vessels results in significant savings in the processing costs and provides an extremely simple, cost-effective fabrication route for the large-scale production of helical magnetic swimmers. PMID:24283342

  9. The AGS with four helical magnets

    SciTech Connect

    Tsoupas, N.; Huang, H.; MacKay, W.W.; Roser, T.; Trbojevic, D.

    2010-02-25

    The idea of using multiple partial helical magnets was applied successfully to the AGS synchrotron, to preserve the proton beam polarization. In this paper we explore in details the idea of using four helical magnets placed symmetrically in the AGS ring. This modification provides many advantages over the present setup of the AGS that uses two partial helical magnets. First, it provides a larger 'spin tune gap' for the placement of the vertical betatron tune of the AGS during acceleration, second, the vertical spin direction during the beam injection and extraction is closer to vertical, third, the symmetric placement of the snakes allows for a better control of the AGS optics, and for reduced values of the beta and eta functions, especially near injection, fourth, the optical properties of the helical magnets also favor the placement of the horizontal betatron tune in the 'spin tune gap', thus eliminating the horizontal spin resonances. In this paper we provide results on the spin tune and on the optics of the AGS with four partial helical magnets, and we compare these results with the present setup of the AGS that uses two partial helical magnets.

  10. On the helicity of open magnetic fields

    SciTech Connect

    Prior, C.; Yeates, A. R.

    2014-06-01

    We reconsider the topological interpretation of magnetic helicity for magnetic fields in open domains, and relate this to the relative helicity. Specifically, our domains stretch between two parallel planes, and each of these ends may be magnetically open. It is demonstrated that, while the magnetic helicity is gauge-dependent, its value in any gauge may be physically interpreted as the average winding number among all pairs of field lines with respect to some orthonormal frame field. In fact, the choice of gauge is equivalent to the choice of reference field in the relative helicity, meaning that the magnetic helicity is no less physically meaningful. We prove that a particular gauge always measures the winding with respect to a fixed frame, and propose that this is normally the best choice. For periodic fields, this choice is equivalent to measuring relative helicity with respect to a potential reference field. However, for aperiodic fields, we show that the potential field can be twisted. We prove by construction that there always exists a possible untwisted reference field.

  11. Light-directing chiral liquid crystal nanostructures: from 1D to 3D.

    PubMed

    Bisoyi, Hari Krishna; Li, Quan

    2014-10-21

    Endowing external, remote, and dynamic control to self-organized superstructures with desired functionalities is a principal driving force in the bottom-up nanofabrication of molecular devices. Light-driven chiral molecular switches or motors in liquid crystal (LC) media capable of self-organizing into optically tunable one-dimensional (1D) and three-dimensional (3D) superstructures represent such an elegant system. As a consequence, photoresponsive cholesteric LCs (CLCs), i.e., self-organized 1D helical superstructures, and LC blue phases (BPs), i.e., self-organized 3D periodic cubic lattices, are emerging as a new generation of multifunctional supramolecular 1D and 3D photonic materials in their own right because of their fundamental academic interest and technological significance. These smart stimuli-responsive materials can be facilely fabricated from achiral LC hosts by the addition of a small amount of a light-driven chiral molecular switch or motor. The photoresponsiveness of these materials is a result of both molecular interaction and geometry changes in the chiral molecular switch upon light irradiation. The doped photoresponsive CLCs undergo light-driven pitch modulation and/or helix inversion, which has many applications in color filters, polarizers, all-optical displays, optical lasers, sensors, energy-saving smart devices, and so on. Recently, we have conceptualized and rationally synthesized different light-driven chiral molecular switches that have very high helical twisting powers (HTPs) and exhibit large changes in HTP in different states, thereby enabling wide phototunability of the systems by the addition of very small amounts of the molecular switches into commercially available achiral LCs. The light-driven chiral molecular switches are based on well-recognized azobenzene, dithienylcyclopentene, and spirooxazine derivatives. We have demonstrated high-resolution and lightweight photoaddressable displays without patterned electronics on

  12. Alternative Methods for Field Corrections in Helical Solenoids

    SciTech Connect

    Lopes, M. L.; Krave, S. T.; Tompkins, J. C.; Yonehara, K.; Flanagan, G.; Kahn, S. A.; Melconian, K.

    2015-05-01

    Helical cooling channels have been proposed for highly efficient 6D muon cooling. Helical solenoids produce solenoidal, helical dipole, and helical gradient field components. Previous studies explored the geometric tunability limits on these main field components. In this paper we present two alternative correction schemes, tilting the solenoids and the addition of helical lines, to reduce the required strength of the anti-solenoid and add an additional tuning knob.

  13. 1D Nanostructures: Controlled Fabrication and Energy Applications

    SciTech Connect

    Hu, Michael Z.

    2013-01-01

    Jian Wei, Xuchun Song, Chunli Yang, and Michael Z. Hu, 1D Nanostructures: Controlled Fabrication and Energy Applications, Journal of Nanomaterials, published special issue (http://www.hindawi.com/journals/jnm/si/197254/) (2013).

  14. 60. BOILER CHAMBER No. 1, D LOOP STEAM GENERATOR AND ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    60. BOILER CHAMBER No. 1, D LOOP STEAM GENERATOR AND MAIN COOLANT PUMP LOOKING NORTHEAST (LOCATION OOO) - Shippingport Atomic Power Station, On Ohio River, 25 miles Northwest of Pittsburgh, Shippingport, Beaver County, PA

  15. 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

  16. Interaction of environmental contaminants with zebrafish organic anion transporting polypeptide, Oatp1d1 (Slco1d1).

    PubMed

    Popovic, Marta; Zaja, Roko; Fent, Karl; Smital, Tvrtko

    2014-10-01

    Polyspecific transporters from the organic anion transporting polypeptide (OATP/Oatp) superfamily mediate the uptake of a wide range of compounds. In zebrafish, Oatp1d1 transports conjugated steroid hormones and cortisol. It is predominantly expressed in the liver, brain and testes. In this study we have characterized the transport of xenobiotics by the zebrafish Oatp1d1 transporter. We developed a novel assay for assessing Oatp1d1 interactors using the fluorescent probe Lucifer yellow and transient transfection in HEK293 cells. Our data showed that numerous environmental contaminants interact with zebrafish Oatp1d1. Oatp1d1 mediated the transport of diclofenac with very high affinity, followed by high affinity towards perfluorooctanesulfonic acid (PFOS), nonylphenol, gemfibrozil and 17α-ethinylestradiol; moderate affinity towards carbaryl, diazinon and caffeine; and low affinity towards metolachlor. Importantly, many environmental chemicals acted as strong inhibitors of Oatp1d1. A strong inhibition of Oatp1d1 transport activity was found by perfluorooctanoic acid (PFOA), chlorpyrifos-methyl, estrone (E1) and 17β-estradiol (E2), followed by moderate to low inhibition by diethyl phthalate, bisphenol A, 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4 tetrahydronapthalene and clofibrate. In this study we identified Oatp1d1 as a first Solute Carrier (SLC) transporter involved in the transport of a wide range of xenobiotics in fish. Considering that Oatps in zebrafish have not been characterized before, our work on zebrafish Oatp1d1 offers important new insights on the understanding of uptake processes of environmental contaminants, and contributes to the better characterization of zebrafish as a model species. PMID:25088042

  17. TBC1D24 genotype–phenotype correlation

    PubMed Central

    Balestrini, Simona; Milh, Mathieu; Castiglioni, Claudia; Lüthy, Kevin; Finelli, Mattea J.; Verstreken, Patrik; Cardon, Aaron; Stražišar, Barbara Gnidovec; Holder, J. Lloyd; Lesca, Gaetan; Mancardi, Maria M.; Poulat, Anne L.; Repetto, Gabriela M.; Banka, Siddharth; Bilo, Leonilda; Birkeland, Laura E.; Bosch, Friedrich; Brockmann, Knut; Cross, J. Helen; Doummar, Diane; Félix, Temis M.; Giuliano, Fabienne; Hori, Mutsuki; Hüning, Irina; Kayserili, Hulia; Kini, Usha; Lees, Melissa M.; Meenakshi, Girish; Mewasingh, Leena; Pagnamenta, Alistair T.; Peluso, Silvio; Mey, Antje; Rice, Gregory M.; Rosenfeld, Jill A.; Taylor, Jenny C.; Troester, Matthew M.; Stanley, Christine M.; Ville, Dorothee; Walkiewicz, Magdalena; Falace, Antonio; Fassio, Anna; Lemke, Johannes R.; Biskup, Saskia; Tardif, Jessica; Ajeawung, Norbert F.; Tolun, Aslihan; Corbett, Mark; Gecz, Jozef; Afawi, Zaid; Howell, Katherine B.; Oliver, Karen L.; Berkovic, Samuel F.; Scheffer, Ingrid E.; de Falco, Fabrizio A.; Oliver, Peter L.; Striano, Pasquale; Zara, Federico

    2016-01-01

    Objective: To evaluate the phenotypic spectrum associated with mutations in TBC1D24. Methods: We acquired new clinical, EEG, and neuroimaging data of 11 previously unreported and 37 published patients. TBC1D24 mutations, identified through various sequencing methods, can be found online (http://lovd.nl/TBC1D24). Results: Forty-eight patients were included (28 men, 20 women, average age 21 years) from 30 independent families. Eighteen patients (38%) had myoclonic epilepsies. The other patients carried diagnoses of focal (25%), multifocal (2%), generalized (4%), and unclassified epilepsy (6%), and early-onset epileptic encephalopathy (25%). Most patients had drug-resistant epilepsy. We detail EEG, neuroimaging, developmental, and cognitive features, treatment responsiveness, and physical examination. In silico evaluation revealed 7 different highly conserved motifs, with the most common pathogenic mutation located in the first. Neuronal outgrowth assays showed that some TBC1D24 mutations, associated with the most severe TBC1D24-associated disorders, are not necessarily the most disruptive to this gene function. Conclusions: TBC1D24-related epilepsy syndromes show marked phenotypic pleiotropy, with multisystem involvement and severity spectrum ranging from isolated deafness (not studied here), benign myoclonic epilepsy restricted to childhood with complete seizure control and normal intellect, to early-onset epileptic encephalopathy with severe developmental delay and early death. There is no distinct correlation with mutation type or location yet, but patterns are emerging. Given the phenotypic breadth observed, TBC1D24 mutation screening is indicated in a wide variety of epilepsies. A TBC1D24 consortium was formed to develop further research on this gene and its associated phenotypes. PMID:27281533

  18. Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors.

    PubMed

    Misawa, Takashi; Demizu, Yosuke; Kawamura, Megumi; Yamagata, Nanako; Kurihara, Masaaki

    2015-03-01

    We developed several stabilized helical heptapeptides (DPI-01-10) composed of l-leucine residues, an α,α-disubstituted α-amino acid (α-aminoisobutyric acid [Aib] or hydroxymethylserine [Hms]), and a stapled side chain as inhibitors of vitamin D receptor (VDR)-coactivator interactions. The inhibitory activity of these peptides against VDR-coactivator interactions was evaluated using a receptor cofactor assay system, and DPI-08 demonstrated strong activity (IC50: 3.2μM). PMID:25637122

  19. Enhancement of the helical content and stability induced in a linear oligopeptide by an i, i+4 intramolecularly double stapled, overlapping, bicyclic [31, 22, 5]-(E)ene motif.

    PubMed

    Mazzier, Daniela; Peggion, Cristina; Toniolo, Claudio; Moretto, Alessandro

    2014-01-01

    Two consecutive i, i+4 intramolecular, side chain-to-side chain, macrocyclizations of different type carried out on a preformed, partially helical peptide result in a largely predominant, double stapled, overlapping, bicyclic [31,22,5]-(E)ene motif. A detailed ECD and NMR conformational study revealed a significant enhancement of the original helical content and stability, accompanied by an increase of the α-helix amount over that of the 3(10)-helix. PMID:24436043

  20. Helical peptide-polyamine and -polyether conjugates as synthetic ionophores.

    PubMed

    Benincasa, Monica; Francescon, Marco; Fregonese, Massimo; Gennaro, Renato; Pengo, Paolo; Rossi, Paola; Scrimin, Paolo; Tecilla, Paolo

    2015-12-01

    Two new synthetic ionophores in which the hydrophobic portion is represented by a short helical Aib-peptide (Aib=α-amino-isobutyric acid) and the hydrophilic one is a poly-amino (1a) or a polyether (1b) chain have been prepared. The two conjugates show a high ionophoric activity in phospholipid membranes being able to efficiently dissipate a pH gradient and, in the case of 1b, to transport Na(+) across the membrane. Bioactivity evaluation of the two conjugates shows that 1a has a moderate antimicrobial activity against a broad spectrum of microorganisms and it is able to permeabilize the inner and the outer membrane of Escherichia coli cells. PMID:26558517

  1. Integrated physics analysis of plasma start-up scenario of helical reactor FFHR-d1

    NASA Astrophysics Data System (ADS)

    Goto, T.; Miyazawa, J.; Sakamoto, R.; Seki, R.; Suzuki, C.; Yokoyama, M.; Satake, S.; Sagara, A.; The FFHR Design Group

    2015-06-01

    1D physics analysis of the plasma start-up scenario of the large helical device (LHD)-type helical reactor FFHR-d1 was conducted. The time evolution of the plasma profile is calculated using a simple model based on the LHD experimental observations. A detailed assessment of the magnetohydrodynamic equilibrium and neo-classical energy loss was conducted using the integrated transport analysis code TASK3D. The robust controllability of the fusion power was confirmed by feedback control of the pellet fuelling and a simple staged variation of the external heating power with a small number of simple diagnostics (line-averaged electron density, edge electron density and fusion power). A baseline operation control scenario (plasma start-up and steady-state sustainment) of the FFHR-d1 reactor for both self-ignition and sub-ignition operation modes was demonstrated.

  2. Helical Spin Texture and Interference of Majorana Bound States in One-Dimensional Topological Superconductor

    NASA Astrophysics Data System (ADS)

    Kawakami, Takuto; Hu, Xiao

    2016-01-01

    We investigate one-dimensional (1D) Majorana bound states (MBSs) realized in terms of the helical edge states of a 2D quantum spin-Hall insulator in a heterostructure with a superconducting substrate and two ferromagnetic insulators (FIs). By means of Bogoliubov-de Gennes approach we demonstrate that there is a helical spin texture in the MBS wave function with a pitch proportional to the Fermi momentum. Moreover, simultaneous detection on local density of states by scanning tunneling microscopy and spectroscopy at a position close to one FI edge and at the midpoint between the two FIs can not only map out the energy spectrum ±E cos(ϕ/2) where ϕ is the relative angle between the magnetizations of two FIs, but also prove experimentally that the two quasiparticle excitations do not mix with each other as protected by the parity conservation associated with the MBSs.

  3. Functional Implications of the Human T-Lymphotropic Virus Type 1 Transmembrane Glycoprotein Helical Hairpin Structure

    PubMed Central

    Maerz, Anne L.; Center, Rob J.; Kemp, Bruce E.; Kobe, Bostjan; Poumbourios, Pantelis

    2000-01-01

    Retrovirus entry into cells follows receptor binding by the surface-exposed envelope glycoprotein (Env) subunit (SU), which triggers the membrane fusion activity of the transmembrane (TM) protein. TM protein fragments expressed in the absence of SU adopt helical hairpin structures comprising a central coiled coil, a region of chain reversal containing a disulfide-bonded loop, and a C-terminal segment that packs onto the exterior of the coiled coil in an antiparallel manner. Here we used in vitro mutagenesis to test the functional role of structural elements observed in a model helical hairpin, gp21 of human T-lymphotropic virus type 1. Membrane fusion activity requires the stabilization of the N and C termini of the central coiled coil by a hydrophobic N cap and a small hydrophobic core, respectively. A conserved Gly-Gly hinge motif preceding the disulfide-bonded loop, a salt bridge that stabilizes the chain reversal region, and interactions between the C-terminal segment and the coiled coil are also critical for fusion activity. Our data support a model whereby the chain reversal region transmits a conformational signal from receptor-bound SU to induce the fusion-activated helical hairpin conformation of the TM protein. PMID:10864675

  4. The influence of helical background fields on current helicity and electromotive force of magnetoconvection

    NASA Astrophysics Data System (ADS)

    Rüdiger, G.; Küker, M.

    2016-07-01

    Motivated by the empirical finding that the known hemispheric rules for the current helicity at the solar surface are not strict, we demonstrate the excitation of small-scale current helicity by the influence of large-scale helical magnetic background fields on nonrotating magnetoconvection. This is shown within a quasilinear analytic theory of driven turbulence and by nonlinear simulations of magnetoconvection that the resulting small-scale current helicity has the same sign as the large-scale current helicity, while the ratio of both pseudoscalars is of the order of the magnetic Reynolds number of the convection. The same models do not provide finite values of the small-scale kinetic helicity. On the other hand, a turbulence-induced electromotive force is produced including the diamagnetic pumping term, as well as the eddy diffusivity but, however, no α effect. It has thus been argued that the relations for the simultaneous existence of small-scale current helicity and α effect do not hold for the model of nonrotating magnetoconvection under consideration. Calculations for various values of the magnetic Prandtl number demonstrate that, for the considered diffusivities, the current helicity increases for growing magnetic Reynolds number, which is not true for the velocity of the diamagnetic pumping, which is in agreement with the results of the quasilinear analytical approximation.

  5. Evaluation of helicity generation in the tropical storm Gonu

    NASA Astrophysics Data System (ADS)

    Farahani, Majid M.; Khansalari, Sakineh; Azadi, Majid

    2016-06-01

    Helicity is a valuable dynamical concept for the study of rotating flows. Consequently helicity flux, indicative of the source or sink of helicity, owns comparable importance. In this study, while reviewing the existing methods, a mathematical relation between helicity and helicity-flux is introduced, discussed and examined. The computed values of helicity and helicity fluxes in an actual case, using the classical and this proposed method are compared. The down-stream helicity flux including sources and sinks of helicity is considered for the tropical storm Gonu that occurred over the coasts of Oman and Iran on June 2-7, 2007. Results show that the buoyancy, through the upper troposphere down to a height within boundary layer, is the main source in producing helicity, and surface friction from earth surface up to a height within boundary layer, is the main dissipating element of helicity. The dominance of buoyancy forcing over the dissipative friction forcing results in generation of vortex or enhancement of it after bouncing the land. Furthermore, the increase (decrease) of helicity results in an increase (decrease) in the height of the level in which maximum helicity flux occurs. It is suggested that the maximum helicity flux occurs at the top of the turbulent boundary layer, so that the height of boundary layer could be obtained.

  6. Analysis of the possible helical structures of nucleic acids and polynucleotides. Application of (n-h) plots.

    PubMed Central

    Yathindra, N; Sundaralingam, M

    1976-01-01

    The two helical parameters n and h where n is the number of nucleotide residues per turn and h is the height per nucleotide residue have been evaluated for single stranded helical polynucleotide chains comprising C(3') -endo and C(2') endo class of nucleotides. The helical parameters are found to be especially sensitive to the C(4')-C(3') (sugar pucker) and the C(4')-C(5') torsions. The (n-h) plots display only one important helix forming domain for each class of nucleotides characterized by the sugar pucker and the C(4')-C(5') torsion. A correlation between the (n-h) plots and the known RNA (A,A') and DNA (A,B,C) helical forms has been established. It is found that all forms of helices except the C-DNA possess a favorable combination of P-O torsions. The analysis of the (n-h) plots suggests that C-DNA can have a conformation very similar to B-DNA. Although the (n-h) plots predict the stereochemical possibility of both right-handed and left-handed helices, nucleic acids apparently prefer right-handed conformation because of the energetics associated with the sugar-phosphate backbone and the base. PMID:1272796

  7. Dimensional phase transition from 1D behavior to a 3D Bose-Einstein condensate

    NASA Astrophysics Data System (ADS)

    Pelster, Axel; Morath, Denis; Straßel, Dominik; Eggert, Sebastian

    The emergence of new properties from low-dimensional building blocks is a universal theme in different areas in physics. The investigation of transitions between isolated and coupled low-dimensional systems promises to reveal new phenomena and exotic phases. Interacting 1D bosons, which are coupled in a two-dimensional array, are maybe the most fundamental example of a system which illustrates the concept of a dimensional phase transition. However, recent experiments using ultracold gases have shown a surprising discrepancy between theory and experiment and it is far from obvious if the power laws from the underlying 1D theory can predict the transition temperature and order parameter correctly for all interaction strengths. Using a combination of large-scale Quantum Monte-Carlo simulations and chain mean-field calculations, we show that the behavior of the ordering temperature as a function of inter-chain coupling strength does not follow a universal powerlaw, but also depends strongly on the filling

  8. Direct Observation of Chiral Topological Solitons in 1D Charge-Density Waves

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Hwan; Cheon, Sangmo; Lee, Sung-Hoon; Yeom, Han Woong

    2015-03-01

    Macroscopic and classical solitons are easily and ubiquitously found, from tsunami to blood pressure pulses, but those in microscopic scale are hard to observe. While the existence of such topological solitons were predicted theoretically and evidenced indirectly by the transport and infrared spectroscopy measurements, the direct observation has been hampered by their high mobility and small dimension. In this talk, we show direct observation of topological solitons in the quasi-1D charge-density wave (CDW) ground state of indium atomic wires, which are consisting of interacting double Peierls chains. Such solitons exhibit a characteristic spatial variation of the CDW amplitudes as expected from the electronic structure. Furthermore, these solitons have an exotic hidden topology originated by topologically different 4-fold degenerate CDW ground states. Their exotic topology leads to the chirality of 1D topological solitons through interaction between two solitons in the double Peierls chains. Detailed scanning tunneling microscopy and spectroscopy reveal their chiral nature at the atomic scale. This work paves the avenue toward the microscopic exploitation of the peculiar properties of nanoscale chiral solitons.

  9. 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces.

    PubMed

    Temprano, I; Thomas, G; Haq, S; Dyer, M S; Latter, E G; Darling, G R; Uvdal, P; Raval, R

    2015-03-14

    Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process. PMID:25770505

  10. 1D self-assembly of chemisorbed thymine on Cu(110) driven by dispersion forces

    NASA Astrophysics Data System (ADS)

    Temprano, I.; Thomas, G.; Haq, S.; Dyer, M. S.; Latter, E. G.; Darling, G. R.; Uvdal, P.; Raval, R.

    2015-03-01

    Adsorption of thymine on a defined Cu(110) surface was studied using reflection-absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), and scanning tunnelling microscopy (STM). In addition, density functional theory (DFT) calculations were undertaken in order to further understand the energetics of adsorption and self-assembly. The combination of RAIRS, TPD, and DFT results indicates that an upright, three-point-bonded adsorption configuration is adopted by the deprotonated thymine at room temperature. DFT calculations show that the upright configuration adopted by individual molecules arises as a direct result of strong O-Cu and N-Cu bonds between the molecule and the surface. STM data reveal that this upright thymine motif self-assembles into 1D chains, which are surprisingly oriented along the open-packed [001] direction of the metal surface and orthogonal to the alignment of the functional groups that are normally implicated in H-bonding interactions. DFT modelling of this system reveals that the molecular organisation is actually driven by dispersion interactions, which cause a slight tilt of the molecule and provide the major driving force for assembly into dimers and 1D chains. The relative orientations and distances of neighbouring molecules are amenable for π-π stacking, suggesting that this is an important contributor in the self-assembly process.

  11. Antialiasing backprojection for helical MDCT.

    PubMed

    Mori, I

    2008-03-01

    Helical CTs are well known to suffer from aliasing artifacts because of their finite longitudinal sampling pitch. The artifact pattern is typically strong streaks from bone edges in clinical images. Especially in the case of multidetector row CT, the artifact resulting from longitudinal aliasing is often called a windmill artifact because the visible streaks form a windmill pattern when the object is of a particular shape. The scan must be performed using a very thin slice thickness, i.e., fine sampling in the longitudinal direction, with a longer scan time to mitigate this aliasing artifact. Some elaborate longitudinal interpolation methods to remediate longitudinal aliasing have been proposed, but they have not been successful in practice despite their theoretical importance. A periodic swing of the focal spot in the longitudinal direction, a so-called z-flying focal spot, was introduced recently to achieve finer sampling. Although it is a useful technique, some important deficiencies exist: It is sufficiently effective only near the isocenter and is difficult to apply to a scan using a thick slice thickness, even though longitudinal aliasing is more serious at the thicker scan. In this paper, the author addresses the nature of interlaced (or unequally spaced) sampling and derives a new principle of data treatment that can suppress the aliased spectra selectively. According to this principle, the common practice of image reconstruction, which backprojects data along the original sampling ray path, is never the best choice. The author proposes a new scheme of backprojection, which involves the longitudinal shift of projection data. A proper choice of longitudinal shift for backprojection provides effective and selective suppression of aliased spectra, with retention of the original frequency spectrum depending on the level of focus swing. With this shifted backprojection, the swing of focus can be made much smaller than for a conventional z-flying focal spot. The

  12. Polar discontinuities and 1D interfaces in monolayered materials

    NASA Astrophysics Data System (ADS)

    Martinez-Gordillo, Rafael; Pruneda, Miguel

    2015-12-01

    Interfaces are the birthplace of a multitude of fascinating discoveries in fundamental science, and have enabled modern electronic devices, from transistors, to lasers, capacitors or solar cells. These interfaces between bulk materials are always bi-dimensional (2D) 'surfaces'. However the advent of graphene and other 2D crystals opened up a world of possibilities, as in this case the interfaces become one-dimensional (1D) lines. Although the properties of 1D nanoribbons have been extensively discussed in the last few years, 1D interfaces within infinite 2D systems had remained mostly unexplored until very recently. These include grain boundaries in polycrystalline samples, or interfaces in hybrid 2D sheets composed by segregated domains of different materials (as for example graphene/BN hybrids, or chemically different transition metal dichalcogenides). As for their 2D counterparts, some of these 1D interfaces exhibit polar characteristics, and can give rise to fascinating new physical properties. Here, recent experimental discoveries and theoretical predictions on the polar discontinuities that arise at these 1D interfaces will be reviewed, and the perspectives of this new research topic, discussed.

  13. Working member of a helical downhole motor for drilling wells

    SciTech Connect

    Kochnev, A.M.; Vshivkov, A.N.; Goldobin, V.B.

    1993-06-22

    A working member of a helical downhole motor is described for drilling wells comprising: separate tubular sections having helical teeth arranged in succession and interconnected by connecting elements, each connecting element having the form of a ring, rigidly secured at the tubular sections and having helical teeth of a pitch and a direction equal to a pitch and a direction, respectively, of the helical teeth of the tubular sections, whereas a profile of the helical teeth of the ring is equidistant to a profile of the helical teeth of the sections.

  14. 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.

  15. PC-1D installation manual and user's guide

    SciTech Connect

    Basore, P.A.

    1991-05-01

    PC-1D is a software package for personal computers that uses finite-element analysis to solve the fully-coupled two-carrier semiconductor transport equations in one dimension. This program is particularly useful for analyzing the performance of optoelectronic devices such as solar cells, but can be applied to any bipolar device whose carrier flows are primarily one-dimensional. This User's Guide provides the information necessary to install PC-1D, define a problem for solution, solve the problem, and examine the results. Example problems are presented which illustrate these steps. The physical models and numerical methods utilized are presented in detail. This document supports version 3.1 of PC-1D, which incorporates faster numerical algorithms with better convergence properties than previous versions of the program. 51 refs., 17 figs., 5 tabs.

  16. The GIRAFFE Archive: 1D and 3D Spectra

    NASA Astrophysics Data System (ADS)

    Royer, F.; Jégouzo, I.; Tajahmady, F.; Normand, J.; Chilingarian, I.

    2013-10-01

    The GIRAFFE Archive (http://giraffe-archive.obspm.fr) contains the reduced spectra observed with the intermediate and high resolution multi-fiber spectrograph installed at VLT/UT2 (ESO). In its multi-object configuration and the different integral field unit configurations, GIRAFFE produces 1D spectra and 3D spectra. We present here the status of the archive and the different functionalities to select and download both 1D and 3D data products, as well as the present content. The two collections are available in the VO: the 1D spectra (summed in the case of integral field observations) and the 3D field observations. These latter products can be explored using the VO Paris Euro3D Client (http://voplus.obspm.fr/ chil/Euro3D).

  17. Nanodamage and Nanofailure of 1d Zno Nanomaterials and Nanodevices

    NASA Astrophysics Data System (ADS)

    Li, Peifeng; Yang, Ya; Huang, Yunhua; Zhang, Yue

    2012-08-01

    One-dimensional (1D) ZnO nanomaterials include nanowires, nanobelts, and nanorods etc. The extensive applied fields and excellent properties of 1D ZnO nanomaterials can meet the requests of the electronic and electromechanical devices for "smaller, faster and colder", and would be applied in new energy convention, environmental protection, information science and technology, biomedical, security and defense fields. While micro porous, etching pits nanodamage and brittle fracture, dissolving, functional failure nanofailure phenomena of 1D ZnO nanomaterials and nanodevices are observed in some practical working environments like illumination, currents or electric fields, external forces, and some chemical gases or solvents. The more important thing is to discuss the mechanism and reduce or prohibit their generation.

  18. Resonant indirect exchange in 1D semiconductor nanostructures

    NASA Astrophysics Data System (ADS)

    Rozhansky, I. V.; Krainov, I. V.; Averkiev, N. S.; Lähderanta, E.

    2015-06-01

    We consider resonant indirect exchange interaction between magnetic centers in 1D nanostructures. The magnetic centers are assumed to be coupled to the 1D conducting channel by the quantum tunneling which can be of resonant character. The indirect exchange between the centers is mediated by the free carriers of the channel. The two cases of quadratic and linear energy dispersion of the 1D free carriers are considered. The former case is attributed to conventional semiconductor (InGaAs based to be concrete) nanowires or nanowhiskers, while the latter case is associated with carbon nanotubes with magnetic adatoms. We demonstrate that whenever the energy of a bound state at the magnetic center lies within the continuum energy spectra of the delocalized carriers in the channel the indirect exchange is strongly enhanced due to effective tunnel hybridization of the bound states with the continuum.

  19. Disappearance of 2D Magnetic Character in Quasi-1D System CoNb2O6 under Magnetic Field

    NASA Astrophysics Data System (ADS)

    Mitsuda, Setsuo; Kobayashi, Satoru; Katagiri, Kouji; Yoshizawa, Hideki; Ishikawa, Masayasu; Miyatani, Kazuo; Kohn, Kay

    1995-07-01

    We report neutron scattering as well as ac susceptibility studies on the formation of magnetic ordering in a quasi-1D ferromagnetic chain system CoNb2O6 in magnetic fields up to 600 Oe. At T=1.5 K, a noncollinear ferrimagnetic (FR) phase with up-up-down spin arrangement along the b axis is field-induced in the magnetic field above ˜300 Oe. Interestingly, the pronounced 2D magnetic character previously found in the noncollinear antiferromagnetic phase disappears in the FR phase. This is direct evidence that the 2D magnetic character is due to the cancellation of interchain exchange fields at an apex site of a 2D isosceles-triangular lattice where quasi-1D ferromagnetic chains lie.

  20. S-duality and helicity amplitudes

    NASA Astrophysics Data System (ADS)

    Colwell, Kitran; Terning, John

    2016-03-01

    We examine interacting Abelian theories at low energies and show that holomorphically normalized photon helicity amplitudes transform into dual amplitudes under SL(2, {Z} ) as modular forms with weights that depend on the number of positive and negative helicity photons and on the number of internal photon lines. Moreover, canonically normalized helicity amplitudes transform by a phase, so that even though the amplitudes are not duality invariant, their squares are duality invariant. We explicitly verify the duality transformation at one loop by comparing the amplitudes in the case of an electron and the dyon that is its SL(2, {Z} ) image, and extend the invariance of squared amplitudes order by order in perturbation theory. We demonstrate that S-duality is a property of all low-energy effective Abelian theories with electric and/or magnetic charges and see how the duality generically breaks down at high energies.

  1. Heat Loss by Helicity Injection II

    SciTech Connect

    Fowler, T K

    2006-04-25

    Arguments are reviewed showing that helicity transport always flattens the temperature profile, yielding unit current amplification in SSPX and flat temperature profiles in RFP's whenever the dynamo is active. The argument is based on transport theory yielding a hyper-resistivity {Lambda} {approx} (c{sup 2}/{omega}{sub pc}{sup 2}){chi}{sub c} with electron thermal diffusivity {chi}{sub c}, valid for any process producing a random-walk in electron constants of motion in the unperturbed field. The theory could be tested by deriving {Lambda} from helicity transport in SSPX, by analogy with recent analysis yielding {chi}{sub c} from heat transport. If the predicted ratio {Lambda}/{chi}{sub c} is confirmed, efforts to increase current amplification in SSPX must be based on scenario scenarios consistent with slow helicity transport compared to heat s transport (pulsed reactor, multipulse, neutral beam injection).

  2. Single-superfield helical-phase inflation

    NASA Astrophysics Data System (ADS)

    Ketov, Sergei V.; Terada, Takahiro

    2016-01-01

    Large-field inflation in supergravity requires the approximate global symmetry needed to protect flatness of the scalar potential. In helical-phase inflation, the U(1) symmetry of the Kähler potential is assumed, the phase part of the complex scalar of a chiral superfield plays the role of inflaton, and the radial part is strongly stabilized. The original model of helical phase inflation, proposed by Li, Li and Nanopoulos (LLN), employs an extra (stabilizer) superfield. We propose a more economical new class of the helical phase inflationary models without a stabilizer superfield. As the specific examples, the quadratic, the natural, and the Starobinsky-type inflationary models are studied in our approach.

  3. Demonstration of steady inductive helicity injection

    NASA Astrophysics Data System (ADS)

    Sieck, P. E.; Jarboe, T. R.; Izzo, V. A.; Hamp, W. T.; Nelson, B. A.; O'Neill, R. G.; Redd, A. J.; Smith, R. J.

    2006-02-01

    Initial results demonstrating the concept of constant inductive helicity injection are presented. Constant helicity injection is achieved using two oscillating inductive helicity injectors, with the goal of producing a bow tie spheromak. Each injector is a 180° segment of a reverse field pinch and they are driven 90° out of phase. Approximately 5 MW of power is injected during the 6 ms pulse, and the input power has been maintained at a fairly constant value by directly fuelling the injectors with neutral gas. Motivation for the experiment is given, including beta-limit calculations for the bow tie spheromak. Fuelling the injectors with neutral gas during the discharge is shown to produce injector parameters that are more constant in time. A series of discharges with increasing power input shows a promising increase in toroidal current. Unique construction techniques of the experiment are also described.

  4. Helical motion of chiral liquid crystal droplets

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takaki; Sano, Masaki

    Artificial swimmers have been intensively studied to understand the mechanism of the locomotion and collective behaviors of cells and microorganisms. Among them, most of the artificial swimmers are designed to move along the straight path. However, in biological systems, chiral dynamics such as circular and helical motion are quite common because of the chirality of their bodies, which are made of chiral biomolecules. To understand the role of the chirality in the physics of microswimmers, we designed chiral artificial swimmers and the theoretical model for the chiral motion. We found that chiral liquid crystal droplets, when dispersed in surfactant solutions, swim in the helical path induced by the Marangoni effect. We will discuss the mechanism of the helical motion with our phenomenological model. This work is supported by Grant-in-Aid for JSPS Fellows (Grant No. 26.9814), and MEXT KAKENHI Grant No. 25103004.

  5. Structural Transition from Helices to Hemihelices

    PubMed Central

    Su, Tianxiang; Bertoldi, Katia; Clarke, David R.

    2014-01-01

    Helices are amongst the most common structures in nature and in some cases, such as tethered plant tendrils, a more complex but related shape, the hemihelix forms. In its simplest form it consists of two helices of opposite chirality joined by a perversion. A recent, simple experiment using elastomer strips reveals that hemihelices with multiple reversals of chirality can also occur, a richness not anticipated by existing analyses. Here, we show through analysis and experiments that the transition from a helical to a hemihelical shape, as well as the number of perversions, depends on the height to width ratio of the strip's cross-section. Our findings provides the basis for the deterministic manufacture of a variety of complex three-dimensional shapes from flat strips. PMID:24759785

  6. Helicity and singular structures in fluid dynamics

    PubMed Central

    Moffatt, H. Keith

    2014-01-01

    Helicity is, like energy, a quadratic invariant of the Euler equations of ideal fluid flow, although, unlike energy, it is not sign definite. In physical terms, it represents the degree of linkage of the vortex lines of a flow, conserved when conditions are such that these vortex lines are frozen in the fluid. Some basic properties of helicity are reviewed, with particular reference to (i) its crucial role in the dynamo excitation of magnetic fields in cosmic systems; (ii) its bearing on the existence of Euler flows of arbitrarily complex streamline topology; (iii) the constraining role of the analogous magnetic helicity in the determination of stable knotted minimum-energy magnetostatic structures; and (iv) its role in depleting nonlinearity in the Navier-Stokes equations, with implications for the coherent structures and energy cascade of turbulence. In a final section, some singular phenomena in low Reynolds number flows are briefly described. PMID:24520175

  7. Mechanism of helix induction in poly(4-carboxyphenyl isocyanide) with chiral amines and memory of the macromolecular helicity and its helical structures.

    PubMed

    Hase, Yoko; Nagai, Kanji; Iida, Hiroki; Maeda, Katsuhiro; Ochi, Noriaki; Sawabe, Kyoichi; Sakajiri, Koichi; Okoshi, Kento; Yashima, Eiji

    2009-08-01

    helix as the most possible helical structure, which is in good agreement with the XRD results. Furthermore, the persistence length measurements revealed that these structural changes accompany a significant change in the main-chain stiffness. The mechanism of helix induction in poly-1-H and the memory of the macromolecular helicity are discussed on the basis of these results. PMID:19580322

  8. GIS-BASED 1-D DIFFUSIVE WAVE OVERLAND FLOW MODEL

    SciTech Connect

    KALYANAPU, ALFRED; MCPHERSON, TIMOTHY N.; BURIAN, STEVEN J.

    2007-01-17

    This paper presents a GIS-based 1-d distributed overland flow model and summarizes an application to simulate a flood event. The model estimates infiltration using the Green-Ampt approach and routes excess rainfall using the 1-d diffusive wave approximation. The model was designed to use readily available topographic, soils, and land use/land cover data and rainfall predictions from a meteorological model. An assessment of model performance was performed for a small catchment and a large watershed, both in urban environments. Simulated runoff hydrographs were compared to observations for a selected set of validation events. Results confirmed the model provides reasonable predictions in a short period of time.

  9. Primordial magnetic helicity from stochastic electric currents

    NASA Astrophysics Data System (ADS)

    Calzetta, Esteban; Kandus, Alejandra

    2014-04-01

    We study the possibility that primordial magnetic fields generated in the transition between inflation and reheating posses magnetic helicity, HM. The fields are induced by stochastic currents of scalar charged particles created during the mentioned transition. We estimate the rms value of the induced magnetic helicity by computing different four-point scalar quantum electrodynamics Feynman diagrams. For any considered volume, the magnetic flux across its boundaries is in principle not null, which means that the magnetic helicity in those regions is gauge dependent. We use the prescription given by Berger and Field and interpret our result as the difference between two magnetic configurations that coincide in the exterior volume. In this case, the magnetic helicity gives only the number of magnetic links inside the considered volume. We calculate a concrete value of HM for large scales and analyze the distribution of magnetic defects as a function of the scale. Those defects correspond to regular as well as random fields in the considered volume. We find that the fractal dimension of the distribution of topological defects is D=1/2. We also study if the regular fields induced on large scales are helical, finding that they are and that the associated number of magnetic defects is independent of the scale. In this case, the fractal dimension is D=0. We finally estimate the intensity of fields induced at the horizon scale of reheating and evolve them until the decoupling of matter and radiation under the hypothesis of the inverse cascade of magnetic helicity. The resulting intensity is high enough and the coherence length long enough to have an impact on the subsequent process of structure formation.

  10. Au nanorod helical superstructures with designed chirality.

    PubMed

    Lan, Xiang; Lu, Xuxing; Shen, Chenqi; Ke, Yonggang; Ni, Weihai; Wang, Qiangbin

    2015-01-14

    A great challenge for nanotechnology is to controllably organize anisotropic nanomaterials into well-defined three-dimensional superstructures with customized properties. Here we successfully constructed anisotropic Au nanorod (AuNR) helical superstructures (helices) with tailored chirality in a programmable manner. By designing the 'X' pattern of the arrangement of DNA capturing strands (15nt) on both sides of a two-dimensional DNA origami template, AuNRs functionalized with the complementary DNA sequences were positioned on the origami and were assembled into AuNR helices with the origami intercalated between neighboring AuNRs. Left-handed (LH) and right-handed (RH) AuNR helices were conveniently accomplished by solely tuning the mirrored-symmetric 'X' patterns of capturing strands on the origami. The inter-rod distance was precisely defined as 14 nm and inter-rod angle as 45°, thus a full helix contains 9 AuNRs with its length up to about 220 nm. By changing the AuNR/origami molar ratio in the assembly system, the average number of AuNR in the helices was tuned from 2 to 4 and 9. Intense chiroptical activities arose from the longest AuNR helices with a maximum anisotropy factor of ∼0.02, which is highly comparable to the reported macroscopic AuNR assemblies. We expect that our strategy of origami templated assembly of anisotropic chiral superstructures would inspire the bottom-up fabrication of optically active nanostructures and shed light on a variety of applications, such as chiral fluids, chiral signal amplification, and fluorescence combined chiral spectroscopy. PMID:25516475

  11. Two-impurity helical Majorana problem

    NASA Astrophysics Data System (ADS)

    Eriksson, Erik; Zazunov, Alex; Sodano, Pasquale; Egger, Reinhold

    2015-02-01

    We predict experimentally accessible signatures for helical Majorana fermions in a topological superconductor by coupling to two quantum dots in the local moment regime (corresponding to spin-1 /2 impurities). Taking into account Ruderman-Kittel-Kasuya-Yosida interactions mediated by bulk and edge modes, where the latter cause a long-range antiferromagnetic Ising coupling, we formulate and solve the low-energy theory for this two-impurity helical Majorana problem. In particular, we show that the long-time spin dynamics after a magnetic field quench displays weakly damped oscillations with universal quality factor.

  12. Canonical Azimuthal Rotations and Flanking Residues Constrain the Orientation of Transmembrane Helices

    PubMed Central

    Sánchez-Muñoz, Orlando L.; Strandberg, Erik; Esteban-Martín, E.; Grage, Stephan L.; Ulrich, Anne S.; Salgado, Jesús

    2013-01-01

    In biological membranes the alignment of embedded proteins provides crucial structural information. The transmembrane (TM) parts have well-defined secondary structures, in most cases α-helices and their orientation is given by a tilt angle and an azimuthal rotation angle around the main axis. The tilt angle is readily visualized and has been found to be functionally relevant. However, there exist no general concepts on the corresponding azimuthal rotation. Here, we show that TM helices prefer discrete rotation angles. They arise from a combination of intrinsic properties of the helix geometry plus the influence of the position and type of flanking residues at both ends of the hydrophobic core. The helical geometry gives rise to canonical azimuthal angles for which the side chains of residues from the two ends of the TM helix tend to have maximum or minimum immersion within the membrane. This affects the preferential position of residues that fall near hydrophobic/polar interfaces of the membrane, depending on their hydrophobicity and capacity to form specific anchoring interactions. On this basis, we can explain the orientation and dynamics of TM helices and make accurate predictions, which correspond well to the experimental values of several model peptides (including dimers), and TM segments of polytopic membrane proteins. PMID:23561527

  13. Optical properties of LEDs with patterned 1D photonic crystal

    NASA Astrophysics Data System (ADS)

    Hronec, P.; Kuzma, A.; Å kriniarová, J.; Kováč, J.; Benčurová, A.; Haščík, Å.; Nemec, P.

    2015-08-01

    In this paper we focus on the application of the one-dimensional photonic crystal (1D PhC) structures on the top of Al0.295Ga0.705As/GaAs multi-quantum well light emitting diode (MQW LED). 1D PhC structures with periods of 600 nm, 700 nm, 800 nm, and 900 nm were fabricated by the E-Beam Direct Write (EBDW) Lithography. Effect of 1D PhC period on the light extraction enhancement was studied. 1D PhC LED radiation profiles were obtained from Near Surface Light Emission Images (NSLEI). Measurements showed the strongest light extraction enhancement using 800 nm period of PhC. Investigation of PhC LED radiation profiles showed strong light decoupling when light reaches PhC structure. Achieved LEE was from 22.6% for 600 nm PhC LED to 47.0% for 800 nm PhC LED. LED with PhC structure at its surface was simulated by FDTD simulation method under excitation of appropriate launch field.

  14. NEW FEATURES OF HYDRUS-1D, VERSION 3.0

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This paper briefly summarizes new features in version 3.0 of HYDRUS-1D, released in May 2005, as compared to version 2.1. The new features are a) new approaches to simulate preferential and nonequilibrium water flow and solute transport, b) a new hysteresis module that avoids the effects of pumpin...

  15. A 1D wavelet filtering for ultrasound images despeckling

    NASA Astrophysics Data System (ADS)

    Dahdouh, Sonia; Dubois, Mathieu; Frenoux, Emmanuelle; Osorio, Angel

    2010-03-01

    Ultrasound images appearance is characterized by speckle, shadows, signal dropout and low contrast which make them really difficult to process and leads to a very poor signal to noise ratio. Therefore, for main imaging applications, a denoising step is necessary to apply successfully medical imaging algorithms on such images. However, due to speckle statistics, denoising and enhancing edges on these images without inducing additional blurring is a real challenging problem on which usual filters often fail. To deal with such problems, a large number of papers are working on B-mode images considering that the noise is purely multiplicative. Making such an assertion could be misleading, because of internal pre-processing such as log compression which are done in the ultrasound device. To address those questions, we designed a novel filtering method based on 1D Radiofrequency signal. Indeed, since B-mode images are initially composed of 1D signals and since the log compression made by ultrasound devices modifies noise statistics, we decided to filter directly the 1D Radiofrequency signal envelope before log compression and image reconstitution, in order to conserve as much information as possible. A bi-orthogonal wavelet transform is applied to the log transform of each signal and an adaptive 1D split and merge like algorithm is used to denoise wavelet coefficients. Experiments were carried out on synthetic data sets simulated with Field II simulator and results show that our filter outperforms classical speckle filtering methods like Lee, non-linear means or SRAD filters.

  16. Non-cooperative Brownian donkeys: A solvable 1D model

    NASA Astrophysics Data System (ADS)

    Jiménez de Cisneros, B.; Reimann, P.; Parrondo, J. M. R.

    2003-12-01

    A paradigmatic 1D model for Brownian motion in a spatially symmetric, periodic system is tackled analytically. Upon application of an external static force F the system's response is an average current which is positive for F < 0 and negative for F > 0 (absolute negative mobility). Under suitable conditions, the system approaches 100% efficiency when working against the external force F.

  17. 1-D Modes on Step-edges of the Putative Weak Topological Insulator BI2TeI

    NASA Astrophysics Data System (ADS)

    Avraham, Nurit; Norris, Andrew; Pan, Lin; Wu, Shu-Chun; Felser, Claudia; Yan, Binghai; Beidenkopf, Haim

    Weak topological insulators are layered materials that possess surfaces with an even number of Dirac cones and surfaces that are fully gapped. This inherent anisotropy provides them with unique properties such as sensitivity to the parity of the number of layers and absence of localization of their surface states. We use scanning tunneling microscopy to study the topological properties of stacked Bi2TeI, a promising candidate for weak topological insulator. We report the observation of the bulk energy gap on terraces perpendicular to the stacking direction and signatures of 1D intra-gap topological edge states along step-edges. The rich structure of quasi 2D terraces and Islands obtained on such cleaved Bi2TeI surfaces provides an excellent playground to explore some of the most fundamental concepts of TIs such as their Z2 classification, ``partner switching'' of Kramer's degenerate pairs, and helical modes along dislocation lines.

  18. 1D design style implications for mask making and CEBL

    NASA Astrophysics Data System (ADS)

    Smayling, Michael C.

    2013-09-01

    At advanced nodes, CMOS logic is being designed in a highly regular design style because of the resolution limitations of optical lithography equipment. Logic and memory layouts using 1D Gridded Design Rules (GDR) have been demonstrated to nodes beyond 12nm.[1-4] Smaller nodes will require the same regular layout style but with multiple patterning for critical layers. One of the significant advantages of 1D GDR is the ease of splitting layouts into lines and cuts. A lines and cuts approach has been used to achieve good pattern fidelity and process margin to below 12nm.[4] Line scaling with excellent line-edge roughness (LER) has been demonstrated with self-aligned spacer processing.[5] This change in design style has important implications for mask making: • The complexity of the masks will be greatly reduced from what would be required for 2D designs with very complex OPC or inverse lithography corrections. • The number of masks will initially increase, as for conventional multiple patterning. But in the case of 1D design, there are future options for mask count reduction. • The line masks will remain simple, with little or no OPC, at pitches (1x) above 80nm. This provides an excellent opportunity for continual improvement of line CD and LER. The line pattern will be processed through a self-aligned pitch division sequence to divide pitch by 2 or by 4. • The cut masks can be done with "simple OPC" as demonstrated to beyond 12nm.[6] Multiple simple cut masks may be required at advanced nodes. "Coloring" has been demonstrated to below 12nm for two colors and to 8nm for three colors. • Cut/hole masks will eventually be replaced by e-beam direct write using complementary e-beam lithography (CEBL).[7-11] This transition is gated by the availability of multiple column e-beam systems with throughput adequate for high- volume manufacturing. A brief description of 1D and 2D design styles will be presented, followed by examples of 1D layouts. Mask complexity for 1

  19. Solid Phase Synthesis of Helically Folded Aromatic Oligoamides.

    PubMed

    Dawson, S J; Hu, X; Claerhout, S; Huc, I

    2016-01-01

    Aromatic amide foldamers constitute a growing class of oligomers that adopt remarkably stable folded conformations. The folded structures possess largely predictable shapes and open the way toward the design of synthetic mimics of proteins. Important examples of aromatic amide foldamers include oligomers of 7- or 8-amino-2-quinoline carboxylic acid that have been shown to exist predominantly as well-defined helices, including when they are combined with α-amino acids to which they may impose their folding behavior. To rapidly iterate their synthesis, solid phase synthesis (SPS) protocols have been developed and optimized for overcoming synthetic difficulties inherent to these backbones such as low nucleophilicity of amine groups on electron poor aromatic rings and a strong propensity of even short sequences to fold on the solid phase during synthesis. For example, acid chloride activation and the use of microwaves are required to bring coupling at aromatic amines to completion. Here, we report detailed SPS protocols for the rapid production of: (1) oligomers of 8-amino-2-quinolinecarboxylic acid; (2) oligomers containing 7-amino-8-fluoro-2-quinolinecarboxylic acid; and (3) heteromeric oligomers of 8-amino-2-quinolinecarboxylic acid and α-amino acids. SPS brings the advantage to quickly produce sequences having varied main chain or side chain components without having to purify multiple intermediates as in solution phase synthesis. With these protocols, an octamer could easily be synthesized and purified within one to two weeks from Fmoc protected amino acid monomer precursors. PMID:27586338

  20. TCTEX1D4, a novel protein phosphatase 1 interactor: connecting the phosphatase to the microtubule network

    PubMed Central

    Korrodi-Gregório, Luís; Vieira, Sandra I.; Esteves, Sara L. C.; Silva, Joana V.; Freitas, Maria João; Brauns, Ann-Kristin; Luers, Georg; Abrantes, Joana; Esteves, Pedro J.; da Cruz e Silva, Odete A. B.; Fardilha, Margarida; da Cruz e Silva, Edgar F.

    2013-01-01

    Summary Reversible phosphorylation plays an important role as a mechanism of intracellular control in eukaryotes. PPP1, a major eukaryotic Ser/Thr-protein phosphatase, acquires its specificity by interacting with different protein regulators, also known as PPP1 interacting proteins (PIPs). In the present work we characterized a physiologically relevant PIP in testis. Using a yeast two-hybrid screen with a human testis cDNA library, we identified a novel PIP of PPP1CC2 isoform, the T-complex testis expressed protein 1 domain containing 4 (TCTEX1D4) that has recently been described as a Tctex1 dynein light chain family member. The overlay assays confirm that TCTEX1D4 interacts with the different spliced isoforms of PPP1CC. Also, the binding domain occurs in the N-terminus, where a consensus PPP1 binding motif (PPP1BM) RVSF is present. The distribution of TCTEX1D4 in testis suggests its involvement in distinct functions, such as TGFβ signaling at the blood–testis barrier and acrosome cap formation. Immunofluorescence in human ejaculated sperm shows that TCTEX1D4 is present in the flagellum and in the acrosome region of the head. Moreover, TCTEX1D4 and PPP1 co-localize in the microtubule organizing center (MTOC) and microtubules in cell cultures. Importantly, the TCTEX1D4 PPP1BM seems to be relevant for complex formation, for PPP1 retention in the MTOC and movement along microtubules. These novel results open new avenues to possible roles of this dynein, together with PPP1. In essence TCTEX1D4/PPP1C complex appears to be involved in microtubule dynamics, sperm motility, acrosome reaction and in the regulation of the blood–testis barrier. PMID:23789093

  1. QCD Evolution of Helicity and Transversity TMDs

    SciTech Connect

    Prokudin, Alexei

    2014-01-01

    We examine the QCD evolution of the helicity and transversity parton distribution functions when including also their dependence on transverse momentum. Using an appropriate definition of these polarized transverse momentum distributions (TMDs), we describe their dependence on the factorization scale and rapidity cutoff, which is essential for phenomenological applications.

  2. Theory of helical electron beams in gyrotrons

    SciTech Connect

    Kuftin, A.N.; Lygin, V.K.; Manuilov, V.N.; Raisky, B.V.; Solujanova, E.A.; Tsimring, S.E.

    1993-04-01

    Helical electron beams (HEB) with disturbed axial symmetry of currents density and HEB with locking electrons in magnetic trap are described. The theory of magnetron injection gun (MIG) in space-charge limited current is developed. Systems on permanent magnets forming HEB are considered. 30 refs., 12 figs., 5 tabs.

  3. Dynamics of helical states in MST

    NASA Astrophysics Data System (ADS)

    Munaretto, Stefano; Auriemma, F.; Brower, D.; Chapman, B. E.; den Hartog, D. J.; Ding, W. X.; Duff, J.; Franz, P.; Goetz, J. A.; Holly, D.; Lin, L.; McCollam, K. J.; McGarry, M.; Morton, L.; Nornberg, M. D.; Parke, E.; Sarff, J. S.

    2014-10-01

    The thermal and the magnetic dynamics of quasi-single-helicity (QSH) plasmas evolve independently during the formation and sustainment of the core helical structure. At higher plasma current (and Lundquist number) MST plasmas transition from an axisymmetric multi-helicity state to a QSH state characterized by a strong core helical mode and reduced secondary mode amplitudes. Plasmas in the QSH state tend to wall-lock, often in an orientation that is unfavorable for optimized measurements of the 3D structure using MST's advanced diagnostics. Recently a technique to control the locking position through an applied resonant magnetic perturbation has been developed. Using this technique it is possible to adjust the 3D phase more optimally for specific diagnostics, to study the dynamics of the QSH structure and thermal features. The multi-chord FIR interferometer shows the presence of a density structure for the duration of the QSH state. Measurements of the time evolution of the electron temperature profile using the Thomson Scattering diagnostic reveal that the transition to QSH allows the presence of a 3D thermal structure, but this structure is intermittent. Understanding the mechanism(s) driving these dynamics is the goal of this work. Work supported by the US DOE and NSF.

  4. Deformation of flexible micro helices under flow

    NASA Astrophysics Data System (ADS)

    Daieff, Marine; Lindner, Anke; Du Roure, Olivia; Morozov, Alexander; Pham, Jonathan; Crosby, Alfred

    The interaction of small helices with fluids is important because of its relevance to both fundamental science and technological applications, such as swimming microrobots or microflow sensors. Helically shaped flagella are also exploited by swimming microorganisms to move through their surrounding fluids. Here we study experimentally the deformation of flexible helical ribbons under flow in a microfluidic channel. The size of the helix is typically microscale for the diameter and nanoscale for the thickness. We focus on two different aspects: the overall shape of the helix and the viscous frictional properties. The frictional coefficients determined by our experiments are consistent with calculated values in the context of resistive force theory. Deformation of helices by viscous flow is well-described by non-linear finite extensibility. Due to the non-uniform distribution of the pitch under distributed loading, we identify both linear and nonlinear behavior along the contour length of a single helix. Utilizing our system, we explore the impact of non-Newtonian fluid properties on the mechanics of helix-fluid interactions.

  5. Vibration of thin, tensioned, helically wrapped plates

    NASA Astrophysics Data System (ADS)

    Lopez, Ernesto; Müftü, Sinan

    2011-02-01

    Free vibration analysis of a thin tensioned plate, wrapped around a cylindrical guide in a helical manner is presented. The system is a model of a thin, flexible web wrapped around a turn-bar. The equation of motion of the wrapped plate is derived by using the energy method and with the Kirchhoff-Love assumptions. The weak form of the equation of motion was obtained by the finite element method and the eigenvalue problem was solved numerically. The effects of parameters such as plate tension, guide radius, longitudinal and helical wrap angles, plate width, and the lengths of the non-wrapped segments were investigated. Eigenmodes with same mode numbers were observed in symmetric and anti-symmetric fashion about the center of the plate, for symmetrically wrapped plates. It was shown that the plate/shell boundary of the wrapped plate effectively acts like a support. For non-helically wrapped plates the free edges cause a frequency clustering of the lateral modes about the dominant longitudinal mode. The frequency clustering diminishes when helical wrap is introduced.

  6. Bunch Coalescing in a Helical Channel

    SciTech Connect

    Neuffer, D.V.; Yonehara, K.; Ankenbrandt, C.M.; Yoshikawa, C.Y.; /MUONS Inc., Batavia

    2012-05-01

    A high-luminosity Muon Collider requires bunch recombination for optimal luminosity. In this paper, we take advantage of the large slip factor attainable in a helical transport channel (HTC) to coalesce bunches of muons into a single one over a shorter distance than can be achieved over a straight channel.

  7. Filament Channel Formation by Helicity Condensation

    NASA Astrophysics Data System (ADS)

    Knizhnik, K. J.; Antiochos, S. K.; DeVore, C.

    2013-12-01

    A major unexplained feature of the solar atmosphere is the accumulation of magnetic shear, in the form of filament channels, at photospheric polarity inversion lines (PILs). In addition to free energy, this shear also represents magnetic helicity, which is conserved under reconnection. Consequently, the observations raise the question: Why is helicity observed to be concentrated along PILs? Preliminary results of 3D MHD simulations using the Adaptively Refined MHD Solver (ARMS) are presented that support the magnetic-helicity condensation model of filament-channel formation (Antiochos 2013). In this work, we address the problem of filament-channel formation by considering supergranular twisting of a quasi-potential flux system, bounded by a PIL and containing a coronal hole (CH). The magnetic helicity injected by small-scale photospheric motions is shown to inverse-cascade up to the largest allowable scales that define the closed flux system: the PIL and the CH boundary. This, in effect, produces field lines that are both sheared and smooth and, in agreement with Antiochos (2013), are sheared in opposite senses at the PIL and the CH. We present a detailed analysis of our simulation results and discuss their implications for observations.

  8. Muon Beam Helical Cooling Channel Design

    SciTech Connect

    Johnson, Rolland; Ankenbrandt, Charles; Flanagan, G; Kazakevich, G M; Marhauser, Frank; Neubauer, Michael; Roberts, T; Yoshikawa, C; Derbenev, Yaroslav; Morozov, Vasiliy; Kashikhin, V S; Lopes, Mattlock; Tollestrup, A; Yonehara, Katsuya; Zloblin, A

    2013-06-01

    The Helical Cooling Channel (HCC) achieves effective ionization cooling of the six-dimensional (6d) phase space of a muon beam by means of a series of 21st century inventions. In the HCC, hydrogen-pressurized RF cavities enable high RF gradients in strong external magnetic fields. The theory of the HCC, which requires a magnetic field with solenoid, helical dipole, and helical quadrupole components, demonstrates that dispersion in the gaseous hydrogen energy absorber provides effective emittance exchange to enable longitudinal ionization cooling. The 10-year development of a practical implementation of a muon-beam cooling device has involved a series of technical innovations and experiments that imply that an HCC of less than 300 m length can cool the 6d emittance of a muon beam by six orders of magnitude. We describe the design and construction plans for a prototype HCC module based on oxygen-doped hydrogen-pressurized RF cavities that are loaded with dielectric, fed by magnetrons, and operate in a superconducting helical solenoid magnet.

  9. Phase diagram of two interacting helical states

    NASA Astrophysics Data System (ADS)

    Santos, Raul A.; Gutman, D. B.; Carr, Sam T.

    2016-06-01

    We consider two coupled time-reversal-invariant helical edge modes of the same helicity, such as would occur on two stacked quantum spin Hall insulators. In the presence of interaction, the low-energy physics is described by two collective modes, one corresponding to the total current flowing around the edge and the other one describing relative fluctuations between the two edges. We find that quite generically, the relative mode becomes gapped at low temperatures, but only when tunneling between the two helical modes is nonzero. There are two distinct possibilities for the gapped state depending on the relative size of different interactions. If the intraedge interaction is stronger than the interedge interaction, the state is characterized as a spin-nematic phase. However, in the opposite limit, when the interaction between the helical edge modes is strong compared to the interaction within each mode, a spin-density wave forms, with emergent topological properties. First, the gap protects the conducting phase against localization by weak nonmagnetic impurities; second, the protected phase hosts localized zero modes on the ends of the edge that may be created by sufficiently strong nonmagnetic impurities.

  10. Helically corrugated circular waveguides as antenna feeders

    NASA Astrophysics Data System (ADS)

    Jecko, F.; Papiernik, A.

    1983-07-01

    Rotation of the plane of polarization of the TE(11)-mode is predicted and observed in a helically corrugated circular waveguide. Rotation is suppressed by a longitudinal deformation produced on the corrugation. This modified structure can be used as an antenna feeder with low losses.

  11. Exabyte helical scan devices at Fermilab

    SciTech Connect

    Constanta-Fanourakis, P.; Kaczar, K.; Oleynik, G.; Petravick, D.; Votava, M.; White, V.; Hockney, G.; Bracker, S.; de Miranda, J.M.

    1989-05-01

    Exabyte 8mm helical scan storage devices are in use at Fermilab in a number of applications. These devices have the functionality of magnetic tape, but use media which is much more economical and much more dense than conventional 9 track tape. 6 refs., 3 figs.

  12. Magnetic stripes and skyrmions with helicity reversals.

    PubMed

    Yu, Xiuzhen; Mostovoy, Maxim; Tokunaga, Yusuke; Zhang, Weizhu; Kimoto, Koji; Matsui, Yoshio; Kaneko, Yoshio; Nagaosa, Naoto; Tokura, Yoshinori

    2012-06-01

    It was recently realized that topological spin textures do not merely have mathematical beauty but can also give rise to unique functionalities of magnetic materials. An example is the skyrmion--a nano-sized bundle of noncoplanar spins--that by virtue of its nontrivial topology acts as a flux of magnetic field on spin-polarized electrons. Lorentz transmission electron microscopy recently emerged as a powerful tool for direct visualization of skyrmions in noncentrosymmetric helimagnets. Topologically, skyrmions are equivalent to magnetic bubbles (cylindrical domains) in ferromagnetic thin films, which were extensively explored in the 1970s for data storage applications. In this study we use Lorentz microscopy to image magnetic domain patterns in the prototypical magnetic oxide-M-type hexaferrite with a hint of scandium. Surprisingly, we find that the magnetic bubbles and stripes in the hexaferrite have a much more complex structure than the skyrmions and spirals in helimagnets, which we associate with the new degree of freedom--helicity (or vector spin chirality) describing the direction of spin rotation across the domain walls. We observe numerous random reversals of helicity in the stripe domain state. Random helicity of cylindrical domain walls coexists with the positional order of magnetic bubbles in a triangular lattice. Most unexpectedly, we observe regular helicity reversals inside skyrmions with an unusual multiple-ring structure. PMID:22615354

  13. Helical axis stellarator with noninterlocking planar coils

    DOEpatents

    Reiman, A.; Boozer, A.H.

    1984-03-06

    The present invention generates stellarator fields having favorable properties (magnetic well and large rotational transform) by a simple coil system consisting only of unlinked planar non-circular coils. At large rotational transform toroidal effects on magnetic well and rotational transform are small and can be ignored. We do so herein, specializing in straight helical systems.

  14. Amide-I characteristics of helical β-peptides by linear infrared measurement and computations.

    PubMed

    Zhao, Juan; Shi, Jipei; Wang, Jianping

    2014-01-01

    In this work, we have examined the amide-I characteristics of three β-peptide oligomers in typical helical conformations (two in 14-helix and one in 12/10-helix), solvated in water, methanol, and chloroform, respectively. Local-mode frequencies and their distributions were computed using a molecular-mechanics force field based frequency map that was constructed on the basis of molecular dynamics simulations. The local-mode frequencies were found to be determined primarily by peptide backbone and side chain, rather by solvent, suggesting their local structural sensitivities. Intermode vibrational couplings computed using a transition dipole scheme were found to be very sensitive to peptide conformation, with their signs and magnitudes varying periodically along the peptide chain. Linear infrared absorption spectra of the three peptides, simulated using a frequency-frequency time-correlation function method, were found to be in fair agreement with experimental results. Normalized potential energy distribution analysis indicated that the amide-I mode can delocalize over a few amide units. However, the IR band structure appears to be more sophisticated in helical β-peptides than in helical α-peptides. PMID:24328259

  15. Chiral transport of neutrinos in supernovae: Neutrino-induced fluid helicity and helical plasma instability

    NASA Astrophysics Data System (ADS)

    Yamamoto, Naoki

    2016-03-01

    Chirality of neutrinos modifies the conventional kinetic theory and hydrodynamics, leading to unusual chiral transport related to quantum anomalies in field theory. We argue that these corrections have new phenomenological consequences for hot and dense neutrino gases, especially in core-collapse supernovae. We find that the neutrino density can be converted to the fluid helicity through the chiral vortical effect. This fluid helicity effectively acts as a chiral chemical potential for electrons via the momentum exchange with neutrinos and induces a "helical plasma instability" that generates a strong helical magnetic field. This provides a new mechanism for converting the gravitational energy released by the core collapse to the electromagnetic energy and potentially explains the origin of magnetars. The other possible applications of the neutrino chiral transport theory are also discussed.

  16. Solvent induced helical aggregation in the self-assembly of cholesterol tailed platinum complexes.

    PubMed

    Mao, Yueyuan; Liu, Keyin; Meng, Luyan; Chen, Liang; Chen, Liming; Yi, Tao

    2014-10-14

    Three alkynylplatinum(ii) bipyridyl complexes in which two cholesterol groups are combined with a bipyridyl group via alkyl chains and amido bonds were designed and synthesized. The complexes have different lengths of ethylene glycol chains at the para-position of 1-phenylethyne. All three complexes can self-assemble to gel networks in DMSO, while only the morphology of 1a without an ether chain shows a well-defined right-handed helical structure in layer packing mode. However, 1c with long ethylene glycol chains forms perfect regular left-handed helical structures in aqueous ethanol solution while the volume percentage of water is less than 5% (v/v). As the ratio of water increases, the chirality changes from a left-handed helix to a right-handed helix and the packing mode alters from a monolayer structure to a hexagonal structure. As the ratio of water further increases to greater than 50% (v/v), the structure of the assembly finally transforms into bilayer vesicles. The process of the morphology transition is traced by circular dichroism spectra, powder X-ray diffraction, SEM and TEM images. The result indicates that a polar solvent (water) acts as a trigger to change the self-assembly of the chiral structures of the complex due to the strong hydrophobic interaction between cholesterol groups and the balance of the hydrophobicity and hydrophilicity of the solvent environment. PMID:25131259

  17. Halo and Pseudohalo Cu(I)-Pyridinato Double Chains with Tunable Physical Properties.

    PubMed

    Hassanein, K; Amo-Ochoa, P; Gómez-García, C J; Delgado, S; Castillo, O; Ocón, P; Martínez, J I; Perles, J; Zamora, F

    2015-11-16

    The properties recently reported on the Cu(I)-iodide pyrimidine nonporous 1D-coordination polymer [CuI(ANP)]n (ANP = 2-amino-5-nitropyridine) showing reversible physically and chemically driven electrical response have prompted us to carry a comparative study with the series of [CuX(ANP)]n (X = Cl (1), X = Br (2), X = CN (4), and X = SCN (5)) in order to understand the potential influence of the halide and pseudohalide bridging ligands on the physical properties and their electrical response to vapors of these materials. The structural characterization of the series shows a common feature, the presence of -X-Cu(ANP)-X- (X = Cl, Br, I, SCN) double chain structure. Complex [Cu(ANP)(CN)]n (4) presents a helical single chain. Additionally, the chains show supramolecular interlinked interactions via hydrogen bonding giving rise to the formation of extended networks. Their luminescent and electrical properties have been studied. The results obtained have been correlated with structural changes. Furthermore, the experimental and theoretical results have been compared using the density functional theory (DFT). The electrical response of the materials has been evaluated in the presence of vapors of diethyl ether, dimethyl methylphosphonate (DMMP), CH2Cl2, HAcO, MeOH, and EtOH, to build up simple prototype devices for gas detectors. Selectivity toward gases consisting of molecules with H-bonding donor or acceptor groups is clearly observed. This selective molecular recognition is likely due to the 2-amino-5-nitropyridine terminal ligand. PMID:26501154

  18. Numerical simulations of heavily polluted fine-grained sediment remobilization using 1D, 1D+, and 2D channel schematization.

    PubMed

    Kaiglová, Jana; Langhammer, Jakub; Jiřinec, Petr; Janský, Bohumír; Chalupová, Dagmar

    2015-03-01

    This article used various hydrodynamic and sediment transport models to analyze the potential and the limits of different channel schematizations. The main aim was to select and evaluate the most suitable simulation method for fine-grained sediment remobilization assessment. Three types of channel schematization were selected to study the flow potential for remobilizing fine-grained sediment in artificially modified channels. Schematization with a 1D cross-sectional horizontal plan, a 1D+ approach, splitting the riverbed into different functional zones, and full 2D mesh, adopted in MIKE by the DHI modeling suite, was applied to the study. For the case study, a 55-km stretch of the Bílina River, in the Czech Republic, Central Europe, which has been heavily polluted by the chemical and coal mining industry since the mid-twentieth century, was selected. Long-term exposure to direct emissions of toxic pollutants including heavy metals and persistent organic pollutants (POPs) resulted in deposits of pollutants in fine-grained sediments in the riverbed. Simulations, based on three hydrodynamic model schematizations, proved that for events not exceeding the extent of the riverbed profile, the 1D schematization can provide comparable results to a 2D model. The 1D+ schematization can improve accuracy while keeping the benefits of high-speed simulation and low requirements of input DEM data, but the method's suitability is limited by the channel properties. PMID:25687259

  19. The Effects of Spatial Smoothing on Solar Magnetic Helicity and the Hemispheric Helicity Sign Rule

    NASA Astrophysics Data System (ADS)

    Koch Ocker, Stella; Petrie, Gordon

    2016-05-01

    The hemispheric sign rule for solar magnetic helicity, which states that negative/positive helicity occurs preferentially in the northern/southern hemisphere, provides clues to the causes of twisted, flaring magnetic fields. However, previous studies on the hemisphere rule may have been significantly affected by seeing from atmospheric turbulent motions. Using Hinode/SOT-SP data spanning from 2006 to 2012, we studied the effects of two important data processing steps that imitate the effects of atmospheric seeing: noise reduction by ignoring pixel values that are weaker than the estimated noise threshold, and Gaussian spatial smoothing. We applied these processing techniques to the helicity distribution maps for active regions NOAA 11158 and NOAA 11243, along with the average helicities of 36 active regions, in order to imitate and understand the effects of seeing from atmospheric turbulence. We found that rather than changing trends in the helicity distributions, Gaussian smoothing and noise reduction enhanced existing trends by pushing outliers towards the mean or removing them altogether. We also found that, when separated for weak and strong magnetic fields, the average helicities of the 36 active regions conformed to the hemisphere rule for weak field helicities and breached the rule for strong field helicities. In general, we found that data processing did not affect whether the hemisphere rule held for data taken from space-based instruments, and thus that seeing from atmospheric turbulence did not significantly affect previous studies' ground-based results on the hemisphere rule. This work was carried out through the National Solar Observatory Research Experiences for Undergraduates (REU) Program, which is funded by the National Science Foundation (NSF). The National Solar Observatory is operated by the Association of Universities for Research in Astronomy, Inc. (AURA) under cooperative agreement with the NSF.

  20. Hydrodynamics of helical-shaped bacterial motility

    NASA Astrophysics Data System (ADS)

    Wada, Hirofumi; Netz, Roland R.

    2009-08-01

    To reveal the underlying hydrodynamic mechanism for the directed propulsion of the bacterium Spiroplasma, we formulate a coarse-grained elastic polymer model with domains of alternating helicities along the contour. Using hydrodynamic simulations and analytic arguments, we show that the propagation of helical domain walls leads to the directed propulsion of the cell body opposite to the domain-wall traveling direction. Several key features of Spiroplasma motility are reproduced by our model. We in particular show that the helical pitch angle observed for Spiroplasma meliferum, ψ=35° , is optimized for maximal swimming speed and energy-conversion efficiency. Our analytic theory based on the slender-body hydrodynamic approximation agrees very well with our numerical data demonstrating how the chirality switch propagating along the helical cell body is converted to a translational thrust for the cell body itself. We in detail consider thermal effects on the propulsion efficiency in the form of orientational fluctuations and conformational fluctuations of the helix shape. The body length dependence of the cell motility is studied numerically and compared to our approximate analytic theory. For fixed pitch angle ψ=35° , the swimming speed is maximized at a ratio of cell-body length to domain length of about 2-3, which are typical values for real cells. We also propose simple analytic arguments for an enhancement of the swimming velocity with increasing solution viscosity by taking into account the effects of transient confinement of a helical cell body in a polymeric meshwork. Comparison with a generalized theory for the swimming speed of flagellated bacteria in polymeric meshworks shows that the presence of a finite-sized bacterial head gives rise to a maximal swimming speed at a finite solution viscosity, whereas in the absence of a head the swimming speed monotonically increases with increasing viscosity.

  1. The structure of aquaporin-1 at 4.5-A resolution reveals short alpha-helices in the center of the monomer.

    PubMed

    Mitsuoka, K; Murata, K; Walz, T; Hirai, T; Agre, P; Heymann, J B; Engel, A; Fujiyoshi, Y

    1999-12-01

    Aquaporin-1 is a water channel found in mammalian red blood cells that is responsible for high water permeability of its membrane. Our electron crystallographic analysis of the three-dimensional structure of aquaporin-1 at 4.5-A resolution confirms the previous finding that each subunit consists of a right-handed bundle of six highly tilted transmembrane helices that surround a central X-shaped structure. In our new potential map, the rod-like densities for the transmembrane helices show helically arranged protrusions, indicating the positions of side chains. Thus, in addition to the six transmembrane helices, observation of helically arranged side-chain densities allowed the identification of two short alpha-helices representing the two branches of the central X-shaped structure that extend to the extracellular and cytoplasmic membrane surfaces. The other two branches are believed to be loops connecting the short alpha-helix to a neighboring transmembrane helix. A pore found close to the center of the aquaporin-1 monomer is suggested to be the course of water flow with implications for the water selectivity. PMID:10600556

  2. 1D Josephson quantum interference grids: diffraction patterns and dynamics

    NASA Astrophysics Data System (ADS)

    Lucci, M.; Badoni, D.; Corato, V.; Merlo, V.; Ottaviani, I.; Salina, G.; Cirillo, M.; Ustinov, A. V.; Winkler, D.

    2016-02-01

    We investigate the magnetic response of transmission lines with embedded Josephson junctions and thus generating a 1D underdamped array. The measured multi-junction interference patterns are compared with the theoretical predictions for Josephson supercurrent modulations when an external magnetic field couples both to the inter-junction loops and to the junctions themselves. The results provide a striking example of the analogy between Josephson phase modulation and 1D optical diffraction grid. The Fiske resonances in the current-voltage characteristics with voltage spacing {Φ0}≤ft(\\frac{{\\bar{c}}}{2L}\\right) , where L is the total physical length of the array, {Φ0} the magnetic flux quantum and \\bar{c} the speed of light in the transmission line, demonstrate that the discrete line supports stable dynamic patterns generated by the ac Josephson effect interacting with the cavity modes of the line.

  3. A Bayesian Algorithm for Reading 1D Barcodes

    PubMed Central

    Tekin, Ender; Coughlan, James

    2010-01-01

    The 1D barcode is a ubiquitous labeling technology, with symbologies such as UPC used to label approximately 99% of all packaged goods in the US. It would be very convenient for consumers to be able to read these barcodes using portable cameras (e.g. mobile phones), but the limited quality and resolution of images taken by these cameras often make it difficult to read the barcodes accurately. We propose a Bayesian framework for reading 1D barcodes that models the shape and appearance of barcodes, allowing for geometric distortions and image noise, and exploiting the redundant information contained in the parity digit. An important feature of our framework is that it doesn’t require that every barcode edge be detected in the image. Experiments on a publicly available dataset of barcode images explore the range of images that are readable, and comparisons with two commercial readers demonstrate the superior performance of our algorithm. PMID:20428491

  4. Morphodynamics and sediment tracers in 1-D (MAST-1D): 1-D sediment transport that includes exchange with an off-channel sediment reservoir

    NASA Astrophysics Data System (ADS)

    Lauer, J. Wesley; Viparelli, Enrica; Piégay, Hervé

    2016-07-01

    Bed material transported in geomorphically active gravel bed rivers often has a local source at nearby eroding banks and ends up sequestered in bars not far downstream. However, most 1-D numerical models for gravel transport assume that gravel originates from and deposits on the channel bed. In this paper, we present a 1-D framework for simulating morphodynamic evolution of bed elevation and size distribution in a gravel-bed river that actively exchanges sediment with its floodplain, which is represented as an off-channel sediment reservoir. The model is based on the idea that sediment enters the channel at eroding banks whose elevation depends on total floodplain sediment storage and on the average elevation of the floodplain relative to the channel bed. Lateral erosion of these banks occurs at a specified rate that can represent either net channel migration or channel widening. Transfer of material out of the channel depends on a typical bar thickness and a specified lateral exchange rate due either to net channel migration or narrowing. The model is implemented using an object oriented framework that allows users to explore relationships between bank supply, bed structure, and lateral change rates. It is applied to a ∼50-km reach of the Ain River, France, that experienced significant reduction in sediment supply due to dam construction during the 20th century. Results are strongly sensitive to lateral exchange rates, showing that in this reach, the supply of sand and gravel at eroding banks and the sequestration of gravel in point bars can have strong influence on overall reach-scale sediment budgets.

  5. How Rosalind Franklin Discovered the Helical Structure of DNA: Experiments in Diffraction

    NASA Astrophysics Data System (ADS)

    Braun, Gregory; Tierney, Dennis; Schmitzer, Heidrun

    2011-03-01

    Rosalind Franklin, a chemical physicist (1920-1958), used x-ray diffraction to determine the structure of DNA. What exactly could she read out from her x-ray pattern, shown in Fig. 1? In lecture notes dated November 1951, R. Franklin wrote the following: "The results suggest a helical structure (which must be very closely packed) containing 2, 3 or 4 co-axial nucleic acid chains per helical unit, and having the phosphate groups near the outside."2 This was 16 months before J. D. Watson and F. Crick published their description of DNA, which was based on R. Franklin's x-ray photos. How they gained access to her x-ray photos is a fascinating tale of clashing personalities and male chauvinism.2,3

  6. “Size-selectivity” in the template-directed assembly of dinuclear triple-stranded helicates

    PubMed Central

    Albrecht, Markus; Blau, Oliver; Fröhlich, Roland

    2002-01-01

    The self-assembly of supramolecular structures depends on a subtle interplay of a series of different control mechanisms. The geometric as well as electronic complementarity of the molecular building blocks is crucial for the specific formation of defined supramolecular species. In addition, secondary effects, like templating, also have an important function. The templating ability of different cations in the formation of triple-stranded helicate-type complexes from alkyl-bridged di(8-hydroxyquinoline) ligands is investigated by introduction of alkyl chains of different length as ligand spacers. Hereby a “size-selectivity” between the cations and the dinuclear helicate-type complexes {(ligand)3M2} is observed. Large cations support the formation of big dinuclear complexes, whereas small cations are able to template the formation of small complexes. PMID:11959938

  7. Modeling helical polymer brushes using self-consistent field theory (SCFT)

    NASA Astrophysics Data System (ADS)

    Mahalik, Jyoti; Sumpter, Bobby; Kumar, Rajeev

    We investigate structure of helical polymer brushes in terms of segment density distribution and local helical ordering using SCFT. A flexible chain model with vector potential was used to model liquid crystalline-like ordering in the brushes. The effects of surface grafting density, polymer molecular weight and the solvent quality on the brush structure were investigated. For densely grafted polymer brushes or the brushes made up of high molecular weight polymers, immersed in good quality solvent, stronger orientational ordering was found near the edge of the brushes (i.e., far from the grafting surface). Furthermore, an increase in the orientational ordering near the grafted end was found with decrease in solvent quality or decrease in molecular weight and decrease in surface grafting density. Computer Science and Mathematics Division, Oak Ridge National Laboratory.

  8. Waves in a 1D electrorheological dusty plasma lattice

    NASA Astrophysics Data System (ADS)

    Rosenberg, M.

    2015-08-01

    The behavior of waves in a one-dimensional (1D) dusty plasma lattice where the dust interacts via Yukawa and electric dipole interactions is discussed theoretically. This study is motivated by recent reports on electrorheological dusty plasmas (e.g. Ivlev et al. 2008 Phys. Rev. Lett. 100, 095003) where the dipole interaction arises due to an external uniaxial AC electric field that distorts the Debye sphere surrounding each grain. Application to possible dusty plasma experimental parameters is discussed.

  9. Nonreciprocity of edge modes in 1D magnonic crystal

    NASA Astrophysics Data System (ADS)

    Lisenkov, I.; Kalyabin, D.; Osokin, S.; Klos, J. W.; Krawczyk, M.; Nikitov, S.

    2015-03-01

    Spin waves propagation in 1D magnonic crystals is investigated theoretically. Mathematical model based on plane wave expansion method is applied to different types of magnonic crystals, namely bi-component magnonic crystal with symmetric/asymmetric boundaries and ferromagnetic film with periodically corrugated top surface. It is shown that edge modes in magnonic crystals may exhibit nonreciprocal behaviour at much lower frequencies than in homogeneous films.

  10. Structure of Human Ferritin L Chain

    SciTech Connect

    Wang,Z.; Li, C.; Ellenburg, M.; Soistman, E.; Ruble, J.; Wright, B.; Ho, J.; Carter, D.

    2006-01-01

    Ferritin is the major iron-storage protein present in all cells. It generally contains 24 subunits, with different ratios of heavy chain (H) to light chain (L), in the shape of a hollow sphere hosting up to 4500 ferric Fe atoms inside. H-rich ferritins catalyze the oxidation of iron(II), while L-rich ferritins promote the nucleation and storage of iron(III). Several X-ray structures have been determined, including those of L-chain ferritins from horse spleen (HoSF), recombinant L-chain ferritins from horse (HoLF), mouse (MoLF) and bullfrog (BfLF) as well as recombinant human H-chain ferritin (HuHF). Here, structures have been determined of two crystal forms of recombinant human L-chain ferritin (HuLF) obtained from native and perdeuterated proteins. The structures show a cluster of acidic residues at the ferrihydrite nucleation site and at the iron channel along the threefold axis. An ordered Cd{sup 2+} structure is observed within the iron channel, offering further insight into the route and mechanism of iron transport into the capsid. The loop between helices D and E, which is disordered in many other L-chain structures, is clearly visible in these two structures. The crystals generated from perdeuterated HuLF will be used for neutron diffraction studies.

  11. Constructing 3D interaction maps from 1D epigenomes

    PubMed Central

    Zhu, Yun; Chen, Zhao; Zhang, Kai; Wang, Mengchi; Medovoy, David; Whitaker, John W.; Ding, Bo; Li, Nan; Zheng, Lina; Wang, Wei

    2016-01-01

    The human genome is tightly packaged into chromatin whose functional output depends on both one-dimensional (1D) local chromatin states and three-dimensional (3D) genome organization. Currently, chromatin modifications and 3D genome organization are measured by distinct assays. An emerging question is whether it is possible to deduce 3D interactions by integrative analysis of 1D epigenomic data and associate 3D contacts to functionality of the interacting loci. Here we present EpiTensor, an algorithm to identify 3D spatial associations within topologically associating domains (TADs) from 1D maps of histone modifications, chromatin accessibility and RNA-seq. We demonstrate that active promoter–promoter, promoter–enhancer and enhancer–enhancer associations identified by EpiTensor are highly concordant with those detected by Hi-C, ChIA-PET and eQTL analyses at 200 bp resolution. Moreover, EpiTensor has identified a set of interaction hotspots, characterized by higher chromatin and transcriptional activity as well as enriched TF and ncRNA binding across diverse cell types, which may be critical for stabilizing the local 3D interactions. PMID:26960733

  12. Development of 1D Liner Compression Code for IDL

    NASA Astrophysics Data System (ADS)

    Shimazu, Akihisa; Slough, John; Pancotti, Anthony

    2015-11-01

    A 1D liner compression code is developed to model liner implosion dynamics in the Inductively Driven Liner Experiment (IDL) where FRC plasmoid is compressed via inductively-driven metal liners. The driver circuit, magnetic field, joule heating, and liner dynamics calculations are performed at each time step in sequence to couple these effects in the code. To obtain more realistic magnetic field results for a given drive coil geometry, 2D and 3D effects are incorporated into the 1D field calculation through use of correction factor table lookup approach. Commercial low-frequency electromagnetic fields solver, ANSYS Maxwell 3D, is used to solve the magnetic field profile for static liner condition at various liner radius in order to derive correction factors for the 1D field calculation in the code. The liner dynamics results from the code is verified to be in good agreement with the results from commercial explicit dynamics solver, ANSYS Explicit Dynamics, and previous liner experiment. The developed code is used to optimize the capacitor bank and driver coil design for better energy transfer and coupling. FRC gain calculations are also performed using the liner compression data from the code for the conceptual design of the reactor sized system for fusion energy gains.

  13. Enhancing Solar Cell Efficiencies through 1-D Nanostructures

    PubMed Central

    2009-01-01

    The current global energy problem can be attributed to insufficient fossil fuel supplies and excessive greenhouse gas emissions resulting from increasing fossil fuel consumption. The huge demand for clean energy potentially can be met by solar-to-electricity conversions. The large-scale use of solar energy is not occurring due to the high cost and inadequate efficiencies of existing solar cells. Nanostructured materials have offered new opportunities to design more efficient solar cells, particularly one-dimensional (1-D) nanomaterials for enhancing solar cell efficiencies. These 1-D nanostructures, including nanotubes, nanowires, and nanorods, offer significant opportunities to improve efficiencies of solar cells by facilitating photon absorption, electron transport, and electron collection; however, tremendous challenges must be conquered before the large-scale commercialization of such cells. This review specifically focuses on the use of 1-D nanostructures for enhancing solar cell efficiencies. Other nanostructured solar cells or solar cells based on bulk materials are not covered in this review. Major topics addressed include dye-sensitized solar cells, quantum-dot-sensitized solar cells, and p-n junction solar cells.

  14. Examining Prebiotic Chemistry Using O(^1D) Insertion Reactions

    NASA Astrophysics Data System (ADS)

    Hays, Brian M.; Laas, Jacob C.; Weaver, Susanna L. Widicus

    2013-06-01

    Aminomethanol, methanediol, and methoxymethanol are all prebiotic molecules expected to form via photo-driven grain surface chemistry in the interstellar medium (ISM). These molecules are expected to be precursors for larger, biologically-relevant molecules in the ISM such as sugars and amino acids. These three molecules have not yet been detected in the ISM because of the lack of available rotational spectra. A high resolution (sub)millimeter spectrometer coupled to a molecular source is being used to study these molecules using O(^1D) insertion reactions. The O(^1D) chemistry is initiated using an excimer laser, and the products of the insertion reactions are adiabatically cooled using a supersonic expansion. Experimental parameters are being optimized by examination of methanol formed from O(^1D) insertion into methane. Theoretical studies of the structure and reaction energies for aminomethanol, methanediol, and methoxymethanol have been conducted to guide the laboratory studies once the methanol experiment has been optimized. The results of the calculations and initial experimental results will be presented.

  15. Biot-Savart helicity versus physical helicity: A topological description of ideal flows

    NASA Astrophysics Data System (ADS)

    Sahihi, Taliya; Eshraghi, Homayoon

    2014-08-01

    For an isentropic (thus compressible) flow, fluid trajectories are considered as orbits of a family of one parameter, smooth, orientation-preserving, and nonsingular diffeomorphisms on a compact and smooth-boundary domain in the Euclidian 3-space which necessarily preserve a finite measure, later interpreted as the fluid mass. Under such diffeomorphisms the Biot-Savart helicity of the pushforward of a divergence-free and tangent to the boundary vector field is proved to be conserved and since these circumstances present an isentropic flow, the conservation of the "Biot-Savart helicity" is established for such flows. On the other hand, the well known helicity conservation in ideal flows which here we call it "physical helicity" is found to be an independent constant with respect to the Biot-Savart helicity. The difference between these two helicities reflects some topological features of the domain as well as the velocity and vorticity fields which is discussed and is shown for simply connected domains the two helicities coincide. The energy variation of the vorticity field is shown to be formally the same as for the incompressible flow obtained before. For fluid domains consisting of several disjoint solid tori, at each time, the harmonic knot subspace of smooth vector fields on the fluid domain is found to have two independent base sets with a special type of orthogonality between these two bases by which a topological description of the vortex and velocity fields depending on the helicity difference is achieved since this difference is shown to depend only on the harmonic knot parts of velocity, vorticity, and its Biot-Savart vector field. For an ideal magnetohydrodynamics (MHD) flow three independent constant helicities are reviewed while the helicity of magnetic potential is generalized for non-simply connected domains by inserting a special harmonic knot field in the dynamics of the magnetic potential. It is proved that the harmonic knot part of the vorticity

  16. The T1 ρ13C spin-lattice relaxation time of helical polyguanidines

    NASA Astrophysics Data System (ADS)

    Lim, A. R.; Stewart, J. R.; Novak, B. M.

    1999-03-01

    The solid state dynamics of three helical polyguanidines differing only in their stereochemistry was investigated by 13C CP/MAS NMR. From these studies, the structures of the polyguanidines were confirmed, and the 13C spin-lattice relaxation times in the rotating frame were measured. The relaxation times of all the polyguanidines indicated that they undergo fast motions, i.e. motions on the fast side of the T1 ρ minimum. The main chain carbon of polyguanidine I-( R/ S), with equal amounts of ( R) and ( S) chiral side chains, has higher activation energy, 10.7 kJ/mol, than the analogous polymers with enantiomerically pure side chains ( I-( R) and I-( S)), 5.1 kJ/mol.

  17. Helical localized wave solutions of the scalar wave equation.

    PubMed

    Overfelt, P L

    2001-08-01

    A right-handed helical nonorthogonal coordinate system is used to determine helical localized wave solutions of the homogeneous scalar wave equation. Introducing the characteristic variables in the helical system, i.e., u = zeta - ct and v = zeta + ct, where zeta is the coordinate along the helical axis, we can use the bidirectional traveling plane wave representation and obtain sets of elementary bidirectional helical solutions to the wave equation. Not only are these sets bidirectional, i.e., based on a product of plane waves, but they may also be broken up into right-handed and left-handed solutions. The elementary helical solutions may in turn be used to create general superpositions, both Fourier and bidirectional, from which new solutions to the wave equation may be synthesized. These new solutions, based on the helical bidirectional superposition, are members of the class of localized waves. Examples of these new solutions are a helical fundamental Gaussian focus wave mode, a helical Bessel-Gauss pulse, and a helical acoustic directed energy pulse train. Some of these solutions have the interesting feature that their shape and localization properties depend not only on the wave number governing propagation along the longitudinal axis but also on the normalized helical pitch. PMID:11488494

  18. Stabilization of Helical Macromolecular Phases by Confined Bending

    NASA Astrophysics Data System (ADS)

    Williams, Matthew J.; Bachmann, Michael

    2015-07-01

    By means of extensive replica-exchange simulations of generic coarse-grained models for helical polymers, we systematically investigate the structural transitions into all possible helical phases for flexible and semiflexible elastic polymers with self-interaction under the influence of torsion barriers. The competing interactions lead to a variety of conformational phases including disordered helical arrangements, single helices, and ordered, tertiary helix bundles. Most remarkably, we find that a bending restraint entails a clear separation and stabilization of the helical phases. This aids in understanding why semiflexible polymers such as double-stranded DNA tend to form pronounced helical structures and proteins often exhibit an abundance of helical structures, such as helix bundles, within their tertiary structure.

  19. THE MAGNETIC ENERGY-HELICITY DIAGRAM OF SOLAR ACTIVE REGIONS

    SciTech Connect

    Tziotziou, Kostas; Georgoulis, Manolis K.; Raouafi, Nour-Eddine

    2012-11-01

    Using a recently proposed nonlinear force-free method designed for single-vector magnetograms of solar active regions, we calculate the instantaneous free magnetic energy and relative magnetic helicity budgets in 162 vector magnetograms corresponding to 42 different active regions. We find a statistically robust, monotonic correlation between the free magnetic energy and the relative magnetic helicity in the studied regions. This correlation implies that magnetic helicity, in addition to free magnetic energy, may be an essential ingredient for major solar eruptions. Eruptive active regions appear well segregated from non-eruptive ones in both free energy and relative helicity with major (at least M-class) flares occurring in active regions with free energy and relative helicity exceeding 4 Multiplication-Sign 10{sup 31} erg and 2 Multiplication-Sign 10{sup 42} Mx{sup 2}, respectively. The helicity threshold agrees well with estimates of the helicity contents of typical coronal mass ejections.

  20. Universal low-energy physics in 1D strongly repulsive multi-component Fermi gases

    NASA Astrophysics Data System (ADS)

    Jiang, Yuzhu; He, Peng; Guan, Xi-Wen

    2016-04-01

    It has been shown (Yang and You 2011 Chin. Phys. Lett. 28 020503) that at zero temperature the ground state of the one-dimensional (1D) w-component Fermi gas coincides with that of the spinless Bose gas in the limit ω \\to ∞ . This behavior was experimentally evidenced through quasi-1D tightly trapping ultracold 173Yb atoms in a recent paper (Pagano et al 2014 Nat. Phys. 10 198). However, understanding of low-temperature behavior of Fermi gases with a repulsive interaction requires spin-charge separated conformal field theories of an effective Tomonaga-Luttinger liquid and an antiferromagnetic SU(w) Heisenberg spin chain. Here we analytically derive universal thermodynamics of 1D strongly repulsive fermionic gases with SU(w) symmetry via the Yang-Yang thermodynamic Bethe ansatz method. The analytical free energy and magnetic properties of the systems at low temperature in a weak magnetic field are obtained through the Wiener-Hopf method. In particular, the free energy essentially manifests the spin-charge separated conformal field theories for high-symmetry systems with arbitrary repulsive interaction strength. We also find that the sound velocity of the Fermi gases in the large w limit coincides with that for the spinless Bose gas, whereas the spin velocity vanishes quickly as w becomes large. This indicates strong suppression of the Fermi exclusion statistics by the commutativity feature among the w-component fermions with different spin states in the Tomonaga-Luttinger liquid phase. Moreover, the equations of state and critical behavior of physical quantities at finite temperature are analytically derived in terms of the polylogarithm functions in the quantum critical region.

  1. Guided wave helical ultrasonic tomography of pipes.

    PubMed

    Leonard, Kevin R; Hinders, Mark K

    2003-08-01

    Ultrasonic guided waves have been used for a wide variety of ultrasonic inspection techniques. We describe here a new variation called helical ultrasound tomography (HUT) that uses guided ultrasonic waves along with tomographic reconstruction algorithms that have been developed by seismologists for what they call "cross borehole" tomography. In HUT, the Lamb-like guided waves travel the various helical criss-cross paths between two parallel circumferential transducer arrays instead of the planar criss-cross seismic paths between two boreholes. Although the measurement itself is fairly complicated, the output of the tomographic reconstruction is a readily interpretable map of a quantity of interest such as pipe wall thickness. In this paper we demonstrate HUT via laboratory scans on steel pipe segments into which controlled thinnings have been introduced. PMID:12942959

  2. Algebraic Apect of Helicities in Hadron Physics

    NASA Astrophysics Data System (ADS)

    An, Murat; Ji, Chueng

    2015-04-01

    We examined the relation of polarization vectors and spinors of (1 , 0) ⊕(0 , 1) representation of Lorentz group in Clifford algebra Cl1 , 3 , their relation with standard algebra, and properties of these spinors. Cl1 , 3 consists of different grades:e.g. the first and the second grades represent (1 / 2 , 1 / 2) and (1 , 0) ⊕(0 , 1) representation of spin groups respectively with 4 and 6 components. However, these Clifford numbers are not the helicity eigenstates and thus we transform them into combinations of helicity eigenstates by expressing them as spherical harmonics. We relate the spin-one polarization vectors and (1 , 0) ⊕(0 , 1) spinors under one simple transformation with the spin operators. We also link our work with Winnberg's work of a superfield of a spinors of Clifford algebra by giving a physical meaning to Grassmann variables and discuss how Grassman algebra is linked with Clifford algebra.

  3. Guided wave helical ultrasonic tomography of pipes

    NASA Astrophysics Data System (ADS)

    Leonard, Kevin R.; Hinders, Mark K.

    2003-08-01

    Ultrasonic guided waves have been used for a wide variety of ultrasonic inspection techniques. We describe here a new variation called helical ultrasound tomography (HUT) that uses guided ultrasonic waves along with tomographic reconstruction algorithms that have been developed by seismologists for what they call ``cross borehole'' tomography. In HUT, the Lamb-like guided waves travel the various helical criss-cross paths between two parallel circumferential transducer arrays instead of the planar criss-cross seismic paths between two boreholes. Although the measurement itself is fairly complicated, the output of the tomographic reconstruction is a readily interpretable map of a quantity of interest such as pipe wall thickness. In this paper we demonstrate HUT via laboratory scans on steel pipe segments into which controlled thinnings have been introduced.

  4. Vacuum systems for the ILC helical undulator

    SciTech Connect

    Malyshev, O. B.; Scott, D. J.; Bailey, I. R.; Barber, D. P.; Baynham, E.; Bradshaw, T.; Brummitt, A.; Carr, S.; Clarke, J. A.; Cooke, P.; Dainton, J. B.; Ivanyushenkov, Y.; Malysheva, L. I.; Moortgat-Pick, G. A.; Rochford, J.; Department of Physics, University of Liverpool Oxford St. Liverpool L69 7ZE; Cockcroft Institute, Warrington WA4 4AD

    2007-07-15

    The International Linear Collider (ILC) positron source uses a helical undulator to generate polarized photons of {approx}10 MeV at the first harmonic. Unlike many undulators used in synchrotron radiation sources, the ILC helical undulator vacuum chamber will be bombarded by photons, generated by the undulator, with energies mostly below that of the first harmonic. Achieving the vacuum specification of {approx}100 nTorr in a narrow chamber of 4-6 mm inner diameter, with a long length of 100-200 m, makes the design of the vacuum system challenging. This article describes the vacuum specifications and calculations of the flux and energy of photons irradiating the undulator vacuum chamber and considers possible vacuum system design solutions for two cases: cryogenic and room temperature.

  5. Viscosity of Sheared Helical filament Suspensions

    NASA Astrophysics Data System (ADS)

    Sartucci, Matthew; Urbach, Jeff; Blair, Dan; Schwenger, Walter

    The viscosity of suspensions can be dramatically affected by high aspect ratio particles. Understanding these systems provides insight into key biological functions and can be manipulated for many technological applications. In this talk, the viscosity as a function of shear rate of suspensions of helical filaments is compared to that of suspensions of straight rod-like filaments. Our goal is to determine the impact of filament geometry on low volume fraction colloidal suspensions in order to identify strategies for altering viscosity with minimal volume fraction. In this research, the detached flagella of the bacteria Salmonella Typhimurium are used as a model system of helical filaments and compared to mutated straight flagella of the Salmonella. We compare rheological measurements of the suspension viscosity in response to shear flow and use a combination of the rheology and fluorescence microscopy to identify the microstructural changes responsible for the observed rheological response.

  6. Windmill artifact in multislice helical CT

    NASA Astrophysics Data System (ADS)

    Silver, Michael D.; Taguchi, Katsuyuki; Hein, Ilmar A.; Chiang, BeShan; Kazama, Masahiro; Mori, Issei

    2003-05-01

    Multi-slice helical CT-systems suffer from windmill artifacts: black/white patterns that spin off of features with high longitudinal gradients. The number of black/white pairs matches the number of slices (detector rows) in the multi-slive detector. The period of spin is the same as the helical pitch. We investigate the cause of the pattern by following the traces of selected voxels through the multi-slive detector array as a function of view position. This forms an "extracted sinogram" which represents the data used to reconstruct the specific voxel. Now we can determine the cause of the artifact by correlating the windmill streak in the image with the extracted data. The investigation shows that inadequate sampling along the longitudinal direction causes the artifact.

  7. Solar flares controlled by helicity conservation

    NASA Technical Reports Server (NTRS)

    Gliner, Erast B.; Osherovich, Vladimir A.

    1995-01-01

    The energy release in a class of solar flares is studied on the assumption that during burst events in highly conducting plasma the magnetic helicity of plasma is approximately conserved. The available energy release under a solar flare controlled by the helicity conservation is shown to be defined by the magnetic structure of the associated prominence. The approach throws light on some solar flare enigmas: the role of the associated prominence. The approach throws light on some solar flare enigmas: the role of the associated prominences; the discontinuation of the reconnection of magnetic lines long before the complete reconnection of participated fields occurs; the existence of quiet prominences which, in spite of their usual optical appearance, do not initiate any flare events; the small energy release under a solar flare in comparison with the stockpile of magnetic energy in surrounding fields. The predicted scale of the energy release is in a fair agreement with observations.

  8. A Helical Magnet Design for RHIC^*.

    NASA Astrophysics Data System (ADS)

    Willen, E.; Gupta, R.; Kelly, E.; Muratore, J.

    1997-05-01

    Helical dipole magnets are required in a project for the Relativistic Heavy Ion Collider (RHIC) to control and preserve the beam polarization in order to allow the collision of polarized proton beams. The project requires superconducting magnets with a 100 mm coil aperture and a 4 Tesla field in which the field rotates 360 degrees over a distance of 2.4 meters. A design restraint is that the magnets operate at relatively low current (less than 500 amperes) in order to minimize the heat load from the current leads. A magnet has been developed that uses a small diameter superconducting cable wound into helical grooves machined into a thick-walled aluminum cylinder. The design and test results of this prototype magnet will be described. ^*Work supported by the U.S. Department of Energy.

  9. Broadband optical isolator based on helical metamaterials.

    PubMed

    Cao, Hu; Yang, ZhenYu; Zhao, Ming; Wu, Lin; Zhang, Peng

    2015-05-01

    Based on helical metamaterials, a new broadband optical isolator with a triple-helix structure is proposed in this paper. The right-handed circularly polarized light can transmit through the isolator with its polarization unchanged. The reverse propagating light, which is caused by the reflection of the latter optical devices, is converted into left-handed circularly polarized light that is suppressed by the proposed isolator because of absorption. Our design has some unprecedented advantages such as broad frequency ranges and a compact structure; moreover, neither polarizers nor adscititious magnetic fields are required. Properties of the isolator are investigated using the finite-difference time-domain method, and this phenomenon is studied by the mechanism of helical antenna theory. PMID:26366900

  10. Helical relativistic electron beam Vlasov equilibria

    NASA Astrophysics Data System (ADS)

    Lai, H. M.

    1980-08-01

    Three existing helical relativistic electron beam models are discussed and compared. Both Yoshikawa's and Lawson's models are shown to be derivable from appropriate Vlasov equilibria. A new helical Vlasov equilibrium with energy spread is presented and studied. Unlike Auer's axial current model in which the allowance of an energy spread limits the total current in the relativistic beam case, the present model, with the addition of an azimuthal current, permits solutions with arbitrarily large current. On the other hand, like the model studied by Kan and Lai, the present model leads to nonhollowed-out beam solutions in which, the larger the beam current, the more force-free is the magnetic field configuration.

  11. Helicity of a toroidal vortex with swirl

    NASA Astrophysics Data System (ADS)

    Bannikova, E. Yu.; Kontorovich, V. M.; Poslavsky, S. A.

    2016-04-01

    Based on the solutions of the Bragg-Hawthorne equation, we discuss the helicity of a thin toroidal vortex in the presence of swirl, orbital motion along the torus directrix. The relation between the helicity and circulations along the small and large linked circumferences (the torus directrix and generatrix) is shown to depend on the azimuthal velocity distribution in the core of the swirling ring vortex. In the case of nonuniform swirl, this relation differs from the well-known Moffat relation, viz., twice the product of such circulations multiplied by the number of linkages. The results can find applications in investigating the vortices in planetary atmospheres and the motions in the vicinity of active galactic nuclei.

  12. Coherent electron transport in a helical nanotube

    NASA Astrophysics Data System (ADS)

    Liang, Guo-Hua; Wang, Yong-Long; Du, Long; Jiang, Hua; Kang, Guang-Zhen; Zong, Hong-Shi

    2016-09-01

    The quantum dynamics of carriers bound to helical tube surfaces is investigated in a thin-layer quantization scheme. By numerically solving the open-boundary Schrödinger equation in curvilinear coordinates, geometric effect on the coherent transmission spectra is analysed in the case of single propagating mode as well as multimode. It is shown that, the coiling endows the helical nanotube with different transport properties from a bent cylindrical surface. Fano resonance appears as a purely geometric effect in the conductance, the corresponding energy of quasibound state is obviously influenced by the torsion and length of the nanotube. We also find new plateaus in the conductance. The transport of double-degenerate mode in this geometry is reminiscent of the Zeeman coupling between the magnetic field and spin angular momentum in quasi-one-dimensional structure.

  13. Helical Muon Beam Cooling Channel Engineering Design

    SciTech Connect

    Kashikhin, V.S.; Lopes, M.L.; Romanov, G.V.; Tartaglia, M.A.; Yonehara, K.; Yu, M.; Zlobin, A.V.; Flanagan, G.; Johnson, R.P.; Kazakevich, G.M.; Marhauser, F.; /MUONS Inc., Batavia

    2012-05-01

    The Helical Cooling Channel (HCC), a novel technique for six-dimensional (6D) ionization cooling of muon beams, has shown considerable promise based on analytic and simulation studies. However, the implementation of this revolutionary method of muon cooling requires new techniques for the integration of hydrogen-pressurized, high-power RF cavities into the low-temperature superconducting magnets of the HCC. We present the progress toward a conceptual design for the integration of 805 MHz RF cavities into a 10 T Nb{sub 3}Sn based HCC test section. We include discussions on the pressure and thermal barriers needed within the cryostat to maintain operation of the magnet at 4.2 K while operating the RF and energy absorber at a higher temperature. Additionally, we include progress on the Nb{sub 3}Sn helical solenoid design.

  14. Differential Recognition of CD1d-[alpha]-Galactosyl Ceramide by the V[beta]8.2 and V[beta]7 Semi-invariant NKT T Cell Receptors

    SciTech Connect

    Pellicci, Daniel G.; Patel, Onisha; Kjer-Nielsen, Lars; Pang, Siew Siew; Sullivan, Lucy C.; Kyparissoudis, Konstantinos; Brooks, Andrew G.; Reid, Hugh H.; Gras, Stephanie; Lucet, Isabelle S.; Koh, Ruide; Smyth, Mark J.; Mallevaey, Thierry; Matsuda, Jennifer L.; Gapin, Laurent; McCluskey, James; Godfrey, Dale I.; Rossjohn, Jamie; PMCI-A; Monash; UCHSC; Melbourne

    2009-09-02

    The semi-invariant natural killer T cell receptor (NKT TCR) recognizes CD1d-lipid antigens. Although the TCR{alpha} chain is typically invariant, the {beta} chain expression is more diverse, where three V{beta} chains are commonly expressed in mice. We report the structures of V{alpha}14-V{beta}8.2 and V{alpha}14-V{beta}7 NKT TCRs in complex with CD1d-{alpha}-galactosylceramide ({alpha}-GalCer) and the 2.5 {angstrom} structure of the human NKT TCR-CD1d-{alpha}-GalCer complex. Both V{beta}8.2 and V{beta}7 NKT TCRs and the human NKT TCR ligated CD1d-{alpha}-GalCer in a similar manner, highlighting the evolutionarily conserved interaction. However, differences within the V{beta} domains of the V{beta}8.2 and V{beta}7 NKT TCR-CD1d complexes resulted in altered TCR{beta}-CD1d-mediated contacts and modulated recognition mediated by the invariant {alpha} chain. Mutagenesis studies revealed the differing contributions of V{beta}8.2 and V{beta}7 residues within the CDR2{beta} loop in mediating contacts with CD1d. Collectively we provide a structural basis for the differential NKT TCR V{beta} usage in NKT cells.

  15. Helical Tomotherapy for Parotid Gland Tumors

    SciTech Connect

    Lee, Tae Kyu; Rosen, Isaac I.; Gibbons, John P.; Fields, Robert S.; Hogstrom, Kenneth R.

    2008-03-01

    Purpose: To investigate helical tomotherapy (HT) intensity-modulated radiotherapy (IMRT) as a postoperative treatment for parotid gland tumors. Methods and Materials: Helical tomotherapy plans were developed for 4 patients previously treated with segmental multileaf collimator (SMLC) IMRT. A primary planning target volume (PTV64) and two secondary PTVs (PTV60, PTV54) were defined. The clinical goals from the SMLC plans were applied as closely as possible to the HT planning. The SMLC plans included bolus, whereas HT plans did not. Results: In general, the HT plans showed better target coverage and target dose homogeneity. The minimum doses to the desired coverage volume were greater, on average, in the HT plans for all the targets. Minimum PTV doses were larger, on average, in the HT plans by 4.6 Gy (p = 0.03), 4.8 Gy (p = 0.06), and 4.9 Gy (p = 0.06) for PTV64, PTV60, and PTV54, respectively. Maximum PTV doses were smaller, on average, by 2.9 Gy (p = 0.23), 3.2 Gy (p = 0.02), and 3.6 Gy (p = 0.03) for PTV64, PTV60, and PTV54, respectively. Average dose homogeneity index was statistically smaller in the HT plans, and conformity index was larger for PTV64 in 3 patients. Tumor control probabilities were higher for 3 of the 4 patients. Sparing of normal structures was comparable for the two techniques. There were no significant differences between the normal tissue complication probabilities for the HT and SMLC plans. Conclusions: Helical tomotherapy treatment plans were comparable to or slightly better than SMLC plans. Helical tomotherapy is an effective alternative to SMLC IMRT for treatment of parotid tumors.

  16. Sawtooth oscillations about helical current channels

    NASA Technical Reports Server (NTRS)

    Theobald, M. L.; Montgomery, David; Doolen, G. D.; Dahlburg, J. P.

    1989-01-01

    An existing pseudospectral code for solving the three-dimensional equations of reduced magnetohydrodynamics is extended by adding a temperature equation. Resistivities and thermal conductivities are given their (isotropic) Braginskii temperature dependences, and are advanced self-consistently. Realistic-looking sawtooth oscillations are observed at modest Lundquist and Reynolds numbers. However, the oscillations are excited upon, and relax back to, a helical (rather than an axisymmetric) current channel.

  17. Bacteria that glide with helical tracks

    PubMed Central

    Nan, Beiyan; McBride, Mark J.; Chen, Jing; Zusman, David R.; Oster, George

    2014-01-01

    Many bacteria glide smoothly on surfaces, but with no discernable propulsive organelles on their surface. Recent experiments with Myxococcus xanthus and Flavobacterium johnsoniae show that both distantly related bacterial species glide utilizing proteins that move in helical tracks, albeit with significantly different motility mechanisms. Both species utilize proton motive force for movement. However, the motors that power gliding in M. xanthus have been identified, while the F. johnsoniae motors remain to be discovered. PMID:24556443

  18. Field of a helical Siberian Snake

    SciTech Connect

    Luccio, A.

    1995-02-01

    To preserve the spin polarization of a beam of high energy protons in a circular accelerator, magnets with periodic magnetic field, called Siberian Snakes are being used. Recently, it was proposed to build Siberian Snakes with superconducting helical dipoles. In a helical, or twisted dipole, the magnetic field is perpendicular to the axis of the helix and rotates around it as one proceeds along the magnet. In an engineering study of a 4 Tesla helical snake, the coil geometry is derived, by twisting, from the geometry of a cosine superconducting dipole. While waiting for magnetic measurement data on such a prototype, an analytical expression for the field of the helice is important, to calculate the particle trajectories and the spin precession in the helix. This model will also allow to determine the optical characteristics of the snake, as an insertion in the lattice of the accelerator. In particular, one can calculate the integrated multipoles through the magnet and the equivalent transfer matrix. An expression for the field in the helix body, i.e., excluding the fringe field was given in a classical paper. An alternate expression can be found by elaborating on the treatment of the field of a transverse wiggler obtained under the rather general conditions that the variables are separable. This expression exactly satisfies Maxwell`s div and curl equations for a stationary field, {del} {center_dot} B = 0, {del} x B = 0. This approach is useful in that it will allow one to use much of the work already done on the problem of inserting wigglers and undulators in the lattice of a circular accelerator.

  19. Synthesis, crystal structure, and properties of a 1-D terbium-substituted monolacunary Keggin-type polyoxotungstate.

    PubMed

    Ma, Pengtao; Si, Yanan; Wan, Rong; Zhang, Shaowei; Wang, Jingping; Niu, Jingyang

    2015-03-01

    A new 1-D linear chainlike terbium-substituted polyoxometalate [Tb(H2O)2(α-PW11O39)](4-) (1) has been synthesized in aqueous solution and characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry (ICP-AES), X-ray powder diffraction (XRPD), IR spectrum, thermal analysis, electrospray ionization mass spectrometry (ESI-MS), and X-ray single-crystal diffraction. X-ray structural analysis reveals that 1 displays a 1-D linear chain containing [Tb(H2O)2(α-PW11O39)](4-) moieties. The Tb(III) cation incorporated into the monolacunary Keggin-type [α-PW11O39](7-) unit resides in a distorted monocapped triangular prismatic geometry and acts as a linker to join two adjacent [α-PW11O39](7-) units to form a 1-D chain structure. Solid-state photoluminescent property of 1 has been investigated at room temperature and the photoluminescent emission mainly results from the synergistic effect of the Tb(III) cation and the Na7[α-PW11O39] precursor. The ESI-MS spectrum of 1 confirms that the polyanion [Tb(H2O)(HPW11O39)](3-) is stable in aqueous solution. PMID:25541394

  20. Synthesis, crystal structure, and properties of a 1-D terbium-substituted monolacunary Keggin-type polyoxotungstate

    NASA Astrophysics Data System (ADS)

    Ma, Pengtao; Si, Yanan; Wan, Rong; Zhang, Shaowei; Wang, Jingping; Niu, Jingyang

    2015-03-01

    A new 1-D linear chainlike terbium-substituted polyoxometalate [Tb(H2O)2(α-PW11O39)]4- (1) has been synthesized in aqueous solution and characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry (ICP-AES), X-ray powder diffraction (XRPD), IR spectrum, thermal analysis, electrospray ionization mass spectrometry (ESI-MS), and X-ray single-crystal diffraction. X-ray structural analysis reveals that 1 displays a 1-D linear chain containing [Tb(H2O)2(α-PW11O39)]4- moieties. The Tb(III) cation incorporated into the monolacunary Keggin-type [α-PW11O39]7- unit resides in a distorted monocapped triangular prismatic geometry and acts as a linker to join two adjacent [α-PW11O39]7- units to form a 1-D chain structure. Solid-state photoluminescent property of 1 has been investigated at room temperature and the photoluminescent emission mainly results from the synergistic effect of the TbIII cation and the Na7[α-PW11O39] precursor. The ESI-MS spectrum of 1 confirms that the polyanion [Tb(H2O)(HPW11O39)]3- is stable in aqueous solution.

  1. Noncontrast helical CT for ureteral stones.

    PubMed

    Boridy, I C; Nikolaidis, P; Kawashima, A; Sandler, C M; Goldman, S M

    1998-01-01

    Noncontrast helical computed tomography (CT) has recently been found to be superior to excretory urography (IVU) in the evaluation of patients with suspected ureterolithiasis. Noncontrast helical CT does not require the use of intravenous contrast material with its associated cost and risk of adverse reactions and can be completed within 5 min, in most cases. Noncontrast CT often detects extraurinary pathology responsible for the patient's symptoms. CT is also more sensitive than IVU in detecting the calculus, regardless of its size, location, and chemical composition. However, confidently differentiating ureteral calculi from phleboliths along the course of the ureter may, at times, be difficult. The "tissue-rim" sign, a rim of soft tissue attenuation around the suspicious calcification, is helpful in making this distinction. Noncontrast CT does not provide physiological information about renal function and the degree of obstruction. A pilot study has suggested a proportional relationship between the extent of perinephric edema and the degree of obstruction. The cost of the examination and the radiation dose delivered to the patient may be higher with CT. Despite these limitations, noncontrast helical CT has quickly become the imaging study of choice in evaluating patients with acute flank pain. PMID:9542010

  2. The infrared dichroism of transmembrane helical polypeptides.

    PubMed Central

    Axelsen, P H; Kaufman, B K; McElhaney, R N; Lewis, R N

    1995-01-01

    Polarized attenuated total internal reflectance techniques were applied to study the infrared dichroism of the amide I transition moment in two membrane-bound peptides that are known to form oriented transmembrane helices: gramicidin A in a supported phospholipid monolayer and Ac-Lys2-Leu24-Lys2-amide (L24) in oriented multibilayers. These studies were performed to test the ability of these techniques to determine the orientation of these peptides, to verify the value of optical parameters used to calculate electric field strengths, to examine the common assumptions regarding the amide I transition moment orientation, and to ascertain the effect of surface imperfections on molecular disorder. The two peptides exhibit marked differences in the shape and frequency of their amide I absorption bands. Yet both peptides are highly ordered and oriented with their helical axes perpendicular to the membrane surface. In the alpha-helix formed by L24, there is evidence for a mode with type E1 symmetry contributing to amide I, and the amide I transition moment must be more closely aligned with the peptide C=O (< 34 degrees) than earlier studies have suggested. These results indicate that long-standing assumptions about the orientation of amide I in a peptide require some revision, but that in general, infrared spectroscopy yields reliable information about the orientation of membrane-bound helical peptides. Images FIGURE 1 PMID:8599683

  3. Total scalp irradiation using helical tomotherapy

    SciTech Connect

    Orton, Nigel . E-mail: nporton@facstaff.wisc.edu; Jaradat, Hazim; Welsh, James; Tome, Wolfgang

    2005-09-30

    Homogeneous irradiation of the scalp poses technical and dosimetric challenges due to the extensive, superficial, curved treatment volume. Conventional treatments on a linear accelerator use multiple matched electron fields or a combination of electron and photon fields. Problems with these techniques include dose heterogeneity in the target due to varying source-to-skin distance (SSD) and angle of beam incidence, significant dose to the brain, and the potential for overdose or underdose at match lines between the fields. Linac-based intensity-modulated radiation therapy (IMRT) plans have similar problems. This work presents treatment plans for total scalp irradiation on a helical tomotherapy machine. Helical tomotherapy is well-suited for scalp irradiation because it has the ability to deliver beamlets that are tangential to the scalp at all points. Helical tomotherapy also avoids problems associated with field matching and use of more than one modality. Tomotherapy treatment plans were generated and are compared to plans for treatment of the same patient on a linac. The resulting tomotherapy plans show more homogeneous target dose and improved critical structure dose when compared to state-of-the-art linac techniques. Target equivalent uniform dose (EUD) for the best tomotherapy plan was slightly higher than for the linac plan, while the volume of brain tissue receiving over 30 Gy was reduced by two thirds. Furthermore, the tomotherapy plan can be more reliably delivered than linac treatments, because the patient is aligned prior to each treatment based on megavoltage computed tomography (MVCT)

  4. Bifurcated helical core equilibrium states in tokamaks

    NASA Astrophysics Data System (ADS)

    Cooper, W. A.; Chapman, I. T.; Schmitz, O.; Turnbull, A. D.; Tobias, B. J.; Lazarus, E. A.; Turco, F.; Lanctot, M. J.; Evans, T. E.; Graves, J. P.; Brunetti, D.; Pfefferlé, D.; Reimerdes, H.; Sauter, O.; Halpern, F. D.; Tran, T. M.; Coda, S.; Duval, B. P.; Labit, B.; Pochelon, A.; Turnyanskiy, M. R.; Lao, L.; Luce, T. C.; Buttery, R.; Ferron, J. R.; Hollmann, E. M.; Petty, C. C.; van Zeeland, M.; Fenstermacher, M. E.; Hanson, J. M.; Lütjens, H.

    2013-07-01

    Tokamaks with weak to moderate reversed central shear in which the minimum inverse rotational transform (safety factor) qmin is in the neighbourhood of unity can trigger bifurcated magnetohydrodynamic equilibrium states, one of which is similar to a saturated ideal internal kink mode. Peaked prescribed pressure profiles reproduce the ‘snake’ structures observed in many tokamaks which has led to a novel explanation of the snake as a bifurcated equilibrium state. Snake equilibrium structures are computed in simulations of the tokamak à configuration variable (TCV), DIII-D and mega amp spherical torus (MAST) tokamaks. The internal helical deformations only weakly modulate the plasma-vacuum interface which is more sensitive to ripple and resonant magnetic perturbations. On the other hand, the external perturbations do not alter the helical core deformation in a significant manner. The confinement of fast particles in MAST simulations deteriorate with the amplitude of the helical core distortion. These three-dimensional bifurcated solutions constitute a paradigm shift that motivates the applications of tools developed for stellarator research in tokamak physics investigations.

  5. Mechanical resonances of helically coiled carbon nanowires.

    PubMed

    Saini, D; Behlow, H; Podila, R; Dickel, D; Pillai, B; Skove, M J; Serkiz, S M; Rao, A M

    2014-01-01

    Despite their wide spread applications, the mechanical behavior of helically coiled structures has evaded an accurate understanding at any length scale (nano to macro) mainly due to their geometrical complexity. The advent of helically coiled micro/nanoscale structures in nano-robotics, nano-inductors, and impact protection coatings has necessitated the development of new methodologies for determining their shear and tensile properties. Accordingly, we developed a synergistic protocol which (i) integrates analytical, numerical (i.e., finite element using COMSOL) and experimental (harmonic detection of resonance; HDR) methods to obtain an empirically validated closed form expression for the shear modulus and resonance frequency of a singly clamped helically coiled carbon nanowire (HCNW), and (ii) circumvents the need for solving 12th order differential equations. From the experimental standpoint, a visual detection of resonances (using in situ scanning electron microscopy) combined with HDR revealed intriguing non-planar resonance modes at much lower driving forces relative to those needed for linear carbon nanotube cantilevers. Interestingly, despite the presence of mechanical and geometrical nonlinearities in the HCNW resonance behavior the ratio of the first two transverse modes f₂/f₁ was found to be similar to the ratio predicted by the Euler-Bernoulli theorem for linear cantilevers. PMID:24986377

  6. Manipulation of wavefront using helical metamaterials.

    PubMed

    Yang, Zhenyu; Wang, Zhaokun; Tao, Huan; Zhao, Ming

    2016-08-01

    Helical metamaterials, a kind of 3-dimensional structure, has relatively strong coupling effect among the helical nano-wires. Therefore, it is expected to be a good candidate for generating phase shift and controlling wavefront with high efficiency. In this paper, using the finite-difference time-domain (FDTD) method, we studied the phase shift properties in the helical metamaterials. It is found that the phase shift occurs for both transmitted and reflected light waves. And the maximum of reflection coefficients can reach over 60%. In addition, the phase shift (φ) is dispersionless in the range of 600 nm to 860 nm, that is, it is only dominated by the initial angle (θ) of the helix. The relationship between them is φ = ± 2θ. Using Jones calculus we give a further explanation for these properties. Finally, by arranging the helixes in an array with a constant phase gradient, the phenomenon of anomalous refraction was also observed in a broad wavelength range. PMID:27505790

  7. Helical antimicrobial polypeptides with radial amphiphilicity

    PubMed Central

    Xiong, Menghua; Lee, Michelle W.; Mansbach, Rachael A.; Song, Ziyuan; Bao, Yan; Peek, Richard M.; Yao, Catherine; Chen, Lin-Feng; Ferguson, Andrew L.; Wong, Gerard C. L.; Cheng, Jianjun

    2015-01-01

    α-Helical antimicrobial peptides (AMPs) generally have facially amphiphilic structures that may lead to undesired peptide interactions with blood proteins and self-aggregation due to exposed hydrophobic surfaces. Here we report the design of a class of cationic, helical homo-polypeptide antimicrobials with a hydrophobic internal helical core and a charged exterior shell, possessing unprecedented radial amphiphilicity. The radially amphiphilic structure enables the polypeptide to bind effectively to the negatively charged bacterial surface and exhibit high antimicrobial activity against both gram-positive and gram-negative bacteria. Moreover, the shielding of the hydrophobic core by the charged exterior shell decreases nonspecific interactions with eukaryotic cells, as evidenced by low hemolytic activity, and protects the polypeptide backbone from proteolytic degradation. The radially amphiphilic polypeptides can also be used as effective adjuvants, allowing improved permeation of commercial antibiotics in bacteria and enhanced antimicrobial activity by one to two orders of magnitude. Designing AMPs bearing this unprecedented, unique radially amphiphilic structure represents an alternative direction of AMP development; radially amphiphilic polypeptides may become a general platform for developing AMPs to treat drug-resistant bacteria. PMID:26460016

  8. Nuclear design of Helical Cruciform Fuel rods

    SciTech Connect

    Shirvan, K.; Kazimi, M. S.

    2012-07-01

    In order to increase the power density of current and new light water reactor designs, the Helical Cruciform Fuel (HCF) rods are proposed. The HCF rods are equivalent to a cylindrical rod, with the fuel in a cruciform shaped, twisted axially. The HCF rods increase the surface area to volume ratio and inter-subchannel mixing behavior due to their cruciform and helical shapes, respectively. In a previous study, the HCF rods have shown the potential to up-rate existing PWRs by 50% and BWRs by 25%. However, HCF rods do display different neutronics modeling and performance. The cruciform cross section of HCF rods creates radially asymmetric heat generation and temperature distribution. The nominal HCF rod's beginning of life reactivity is reduced, compared to a cylindrical rod with the same fuel volume, by 500 pcm, due to increase in absorption in cladding. The rotation of these rods accounts for reactivity changes, which depends on the H/HM ratio of the pin cell. The HCF geometry shows large sensitivities to U{sup 235} or gadolinium enrichments compared to a cylindrical geometry. In addition, the gadolinium-containing HCF rods show a stronger effect on neighboring HCF rods than in case of cylindrical rods, depending on the orientation of the HCF rods. The helical geometry of the rods introduces axial shadowing of about 600 pcm, not seen in typical cylindrical rods. (authors)

  9. Mechanical Resonances of Helically Coiled Carbon Nanowires

    NASA Astrophysics Data System (ADS)

    Saini, D.; Behlow, H.; Podila, R.; Dickel, D.; Pillai, B.; Skove, M. J.; Serkiz, S. M.; Rao, A. M.

    2014-07-01

    Despite their wide spread applications, the mechanical behavior of helically coiled structures has evaded an accurate understanding at any length scale (nano to macro) mainly due to their geometrical complexity. The advent of helically coiled micro/nanoscale structures in nano-robotics, nano-inductors, and impact protection coatings has necessitated the development of new methodologies for determining their shear and tensile properties. Accordingly, we developed a synergistic protocol which (i) integrates analytical, numerical (i.e., finite element using COMSOL®) and experimental (harmonic detection of resonance; HDR) methods to obtain an empirically validated closed form expression for the shear modulus and resonance frequency of a singly clamped helically coiled carbon nanowire (HCNW), and (ii) circumvents the need for solving 12th order differential equations. From the experimental standpoint, a visual detection of resonances (using in situ scanning electron microscopy) combined with HDR revealed intriguing non-planar resonance modes at much lower driving forces relative to those needed for linear carbon nanotube cantilevers. Interestingly, despite the presence of mechanical and geometrical nonlinearities in the HCNW resonance behavior the ratio of the first two transverse modes f2/f1 was found to be similar to the ratio predicted by the Euler-Bernoulli theorem for linear cantilevers.

  10. MH2c: Characterization of major histocompatibility α-helices - an information criterion approach

    NASA Astrophysics Data System (ADS)

    Hischenhuber, B.; Frommlet, F.; Schreiner, W.; Knapp, B.

    2012-07-01

    Major histocompatibility proteins share a common overall structure or peptide binding groove. Two binding groove domains, on the same chain for major histocompatibility class I or on two different chains for major histocompatibility class II, contribute to that structure that consists of two α-helices (“wall”) and a sheet of eight anti-parallel beta strands (“floor”). Apart from the peptide presented in the groove, the major histocompatibility α-helices play a central role for the interaction with the T cell receptor. This study presents a generalized mathematical approach for the characterization of these helices. We employed polynomials of degree 1 to 7 and splines with 1 to 2 nodes based on polynomials of degree 1 to 7 on the α-helices projected on their principal components. We evaluated all models with a corrected Akaike Information Criterion to determine which model represents the α-helices in the best way without overfitting the data. This method is applicable for both the stationary and the dynamic characterization of α-helices. By deriving differential geometric parameters from these models one obtains a reliable method to characterize and compare α-helices for a broad range of applications. Catalogue identifier: AELX_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELX_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 327 565 No. of bytes in distributed program, including test data, etc.: 17 433 656 Distribution format: tar.gz Programming language: Matlab Computer: Personal computer architectures Operating system: Windows, Linux, Mac (all systems on which Matlab can be installed) RAM: Depends on the trajectory size, min. 1 GB (Matlab) Classification: 2.1, 4.9, 4.14 External routines: Curve Fitting Toolbox and Statistic Toolbox of

  11. Extended-Range Ultrarefractive 1D Photonic Crystal Prisms

    NASA Technical Reports Server (NTRS)

    Ting, David Z.

    2007-01-01

    A proposal has been made to exploit the special wavelength-dispersive characteristics of devices of the type described in One-Dimensional Photonic Crystal Superprisms (NPO-30232) NASA Tech Briefs, Vol. 29, No. 4 (April 2005), page 10a. A photonic crystal is an optical component that has a periodic structure comprising two dielectric materials with high dielectric contrast (e.g., a semiconductor and air), with geometrical feature sizes comparable to or smaller than light wavelengths of interest. Experimental superprisms have been realized as photonic crystals having three-dimensional (3D) structures comprising regions of amorphous Si alternating with regions of SiO2, fabricated in a complex process that included sputtering. A photonic crystal of the type to be exploited according to the present proposal is said to be one-dimensional (1D) because its contrasting dielectric materials would be stacked in parallel planar layers; in other words, there would be spatial periodicity in one dimension only. The processes of designing and fabricating 1D photonic crystal superprisms would be simpler and, hence, would cost less than do those for 3D photonic crystal superprisms. As in 3D structures, 1D photonic crystals may be used in applications such as wavelength-division multiplexing. In the extended-range configuration, it is also suitable for spectrometry applications. As an engineered structure or artificially engineered material, a photonic crystal can exhibit optical properties not commonly found in natural substances. Prior research had revealed several classes of photonic crystal structures for which the propagation of electromagnetic radiation is forbidden in certain frequency ranges, denoted photonic bandgaps. It had also been found that in narrow frequency bands just outside the photonic bandgaps, the angular wavelength dispersion of electromagnetic waves propagating in photonic crystal superprisms is much stronger than is the angular wavelength dispersion obtained

  12. Non-linearity in Bayesian 1-D magnetotelluric inversion

    NASA Astrophysics Data System (ADS)

    Guo, Rongwen; Dosso, Stan E.; Liu, Jianxin; Dettmer, Jan; Tong, Xiaozhong

    2011-05-01

    This paper applies a Bayesian approach to examine non-linearity for the 1-D magnetotelluric (MT) inverse problem. In a Bayesian formulation the posterior probability density (PPD), which combines data and prior information, is interpreted in terms of parameter estimates and uncertainties, which requires optimizing and integrating the PPD. Much work on 1-D MT inversion has been based on (approximate) linearized solutions, but more recently fully non-linear (numerical) approaches have been applied. This paper directly compares results of linearized and non-linear uncertainty estimation for 1-D MT inversion; to do so, advanced methods for both approaches are applied. In the non-linear formulation used here, numerical optimization is carried out using an adaptive-hybrid algorithm. Numerical integration applies Metropolis-Hastings sampling, rotated to a principal-component parameter space for efficient sampling of correlated parameters, and employing non-unity sampling temperatures to ensure global sampling. Since appropriate model parametrizations are generally not known a priori, both under- and overparametrized approaches are considered. For underparametrization, the Bayesian information criterion is applied to determine the number of layers consistent with the resolving power of the data. For overparametrization, prior information is included which favours simple structure in a manner similar to regularized inversion. The data variance and/or trade-off parameter regulating data and prior information are treated in several ways, including applying fixed optimal estimates (an empirical Bayesian approach) or including them as hyperparameters in the sampling (hierarchical Bayesian). The latter approach has the benefit of accounting for the uncertainty in the hyperparameters in estimating model parameter uncertainties. Non-linear and linearized inversion results are compared for synthetic test cases and for the measured COPROD1 MT data by considering marginal probability

  13. Spatial coherence of polaritons in a 1D channel

    SciTech Connect

    Savenko, I. G.; Iorsh, I. V.; Kaliteevski, M. A.; Shelykh, I. A.

    2013-01-15

    We analyze time evolution of spatial coherence of a polariton ensemble in a quantum wire (1D channel) under constant uniform resonant pumping. Using the theoretical approach based on the Lindblad equation for a one-particle density matrix, which takes into account the polariton-phonon and excitonexciton interactions, we study the behavior of the first-order coherence function g{sup 1} for various pump intensities and temperatures in the range of 1-20 K. Bistability and hysteresis in the dependence of the first-order coherence function on the pump intensity is demonstrated.

  14. Structural stability of a 1D compressible viscoelastic fluid model

    NASA Astrophysics Data System (ADS)

    Huo, Xiaokai; Yong, Wen-An

    2016-07-01

    This paper is concerned with a compressible viscoelastic fluid model proposed by Öttinger. Although the model has a convex entropy, the Hessian matrix of the entropy does not symmetrize the system of first-order partial differential equations due to the non-conservative terms in the constitutive equation. We show that the corresponding 1D model is symmetrizable hyperbolic and dissipative and satisfies the Kawashima condition. Based on these, we prove the global existence of smooth solutions near equilibrium and justify the compatibility of the model with the Navier-Stokes equations.

  15. Phthalocyanine based 1D nanowires for device applications

    NASA Astrophysics Data System (ADS)

    Saini, Rajan; Mahajan, Aman; Bedi, R. K.

    2012-06-01

    1D nanowires (NWs) of Cu (II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-Phthalocyanine (CuPc(OBu)8) molecule have been grown on different substrates by cost effective solution processing technique. The density of NWs is found to be strongly dependent on the concentration of solution. The possible formation mechanism of these structures is π-π interaction between phthalocyanine molecules. The improved conductivity of these NWs as compared to spin coated film indicates their potential for molecular device applications.

  16. Coherent thermal conductance of 1-D photonic crystals

    NASA Astrophysics Data System (ADS)

    Tschikin, Maria; Ben-Abdallah, Philippe; Biehs, Svend-Age

    2012-10-01

    We present an exact calculation of coherent thermal conductance in 1-D multilayer photonic crystals using the S-matrix method. In particular, we study the thermal conductance in a bilayer structure of Si/vacuum or Al2O3/vacuum slabs by means of the exact radiative heat flux expression. Based on the results obtained for the Al2O3/vacuum structure we show by comparison with previous works that the material losses and (localized) surface modes supported by the inner layers play a fundamental role and cannot be omitted in the definition of thermal conductance. Our results could have significant implications in the conception of efficient thermal barriers.

  17. Deconvolution/identification techniques for 1-D transient signals

    SciTech Connect

    Goodman, D.M.

    1990-10-01

    This paper discusses a variety of nonparametric deconvolution and identification techniques that we have developed for application to 1-D transient signal problems. These methods are time-domain techniques that use direct methods for matrix inversion. Therefore, they are not appropriate for large data'' problems. These techniques involve various regularization methods and permit the use of certain kinds of a priori information in estimating the unknown. These techniques have been implemented in a package using standard FORTRAN that should make the package readily transportable to most computers. This paper is also meant to be an instruction manual for the package. 25 refs., 17 figs., 1 tab.

  18. Fast Optimal Load Balancing Algorithms for 1D Partitioning

    SciTech Connect

    Pinar, Ali; Aykanat, Cevdet

    2002-12-09

    One-dimensional decomposition of nonuniform workload arrays for optimal load balancing is investigated. The problem has been studied in the literature as ''chains-on-chains partitioning'' problem. Despite extensive research efforts, heuristics are still used in parallel computing community with the ''hope'' of good decompositions and the ''myth'' of exact algorithms being hard to implement and not runtime efficient. The main objective of this paper is to show that using exact algorithms instead of heuristics yields significant load balance improvements with negligible increase in preprocessing time. We provide detailed pseudocodes of our algorithms so that our results can be easily reproduced. We start with a review of literature on chains-on-chains partitioning problem. We propose improvements on these algorithms as well as efficient implementation tips. We also introduce novel algorithms, which are asymptotically and runtime efficient. We experimented with data sets from two different applications: Sparse matrix computations and Direct volume rendering. Experiments showed that the proposed algorithms are 100 times faster than a single sparse-matrix vector multiplication for 64-way decompositions on average. Experiments also verify that load balance can be significantly improved by using exact algorithms instead of heuristics. These two findings show that exact algorithms with efficient implementations discussed in this paper can effectively replace heuristics.

  19. Reactions of HO2 with carbon monoxide and nitric oxide and of O/1 D/ with water.

    NASA Technical Reports Server (NTRS)

    Simonaitis, R.; Heicklen, J.

    1973-01-01

    Investigation of the reactions of the hydroperoxyl radical with carbon monoxide and nitric oxide in a static system, and reexamination of the reaction of O(1 D) with water. The HO2 radicals were generated by the photolysis of N2O at 2139 A in the presence of excess H2O or H2 and smaller amounts of CO and O2. The O(1 D) atoms produced from the photolysis of N2O react with H2O or with H2 to give OH radicals in the case of H2O or OH radicals and H atoms in the case of H2. With H2O, two OH radicals are produced for each O(1 D) removed at low pressures, but the OH yield drops as the pressure is raised. This drop is attributed to an insertion reaction which removes from 10 to 30% of the O(1 D) atoms at about 650 torr of H2O at 200 F. The OH radicals generated can react with either CO or H2 to produce H atoms, which then add to O2 to produce HO2. In the absence of NO, the HO2 radicals could react by two routes, while with NO present NO2 is produced in a long chain process.

  20. Evolution of field line helicity during magnetic reconnection

    SciTech Connect

    Russell, A. J. B. Hornig, G.; Wilmot-Smith, A. L.; Yeates, A. R.

    2015-03-15

    We investigate the evolution of field line helicity for magnetic fields that connect two boundaries without null points, with emphasis on localized finite-B magnetic reconnection. Total (relative) magnetic helicity is already recognized as an important topological constraint on magnetohydrodynamic processes. Field line helicity offers further advantages because it preserves all topological information and can distinguish between different magnetic fields with the same total helicity. Magnetic reconnection changes field connectivity and field line helicity reflects these changes; the goal of this paper is to characterize that evolution. We start by deriving the evolution equation for field line helicity and examining its terms, also obtaining a simplified form for cases where dynamics are localized within the domain. The main result, which we support using kinematic examples, is that during localized reconnection in a complex magnetic field, the evolution of field line helicity is dominated by a work-like term that is evaluated at the field line endpoints, namely, the scalar product of the generalized field line velocity and the vector potential. Furthermore, the flux integral of this term over certain areas is very small compared to the integral of the unsigned quantity, which indicates that changes of field line helicity happen in a well-organized pairwise manner. It follows that reconnection is very efficient at redistributing helicity in complex magnetic fields despite having little effect on the total helicity.

  1. Cryo-EM Structure Determination Using Segmented Helical Image Reconstruction.

    PubMed

    Fromm, S A; Sachse, C

    2016-01-01

    Treating helices as single-particle-like segments followed by helical image reconstruction has become the method of choice for high-resolution structure determination of well-ordered helical viruses as well as flexible filaments. In this review, we will illustrate how the combination of latest hardware developments with optimized image processing routines have led to a series of near-atomic resolution structures of helical assemblies. Originally, the treatment of helices as a sequence of segments followed by Fourier-Bessel reconstruction revealed the potential to determine near-atomic resolution structures from helical specimens. In the meantime, real-space image processing of helices in a stack of single particles was developed and enabled the structure determination of specimens that resisted classical Fourier helical reconstruction and also facilitated high-resolution structure determination. Despite the progress in real-space analysis, the combination of Fourier and real-space processing is still commonly used to better estimate the symmetry parameters as the imposition of the correct helical symmetry is essential for high-resolution structure determination. Recent hardware advancement by the introduction of direct electron detectors has significantly enhanced the image quality and together with improved image processing procedures has made segmented helical reconstruction a very productive cryo-EM structure determination method. PMID:27572732

  2. Faraday signature of magnetic helicity from reduced depolarization

    SciTech Connect

    Brandenburg, Axel; Stepanov, Rodion

    2014-05-10

    Using one-dimensional models, we show that a helical magnetic field with an appropriate sign of helicity can compensate the Faraday depolarization resulting from the superposition of Faraday-rotated polarization planes from a spatially extended source. For radio emission from a helical magnetic field, the polarization as a function of the square of the wavelength becomes asymmetric with respect to zero. Mathematically speaking, the resulting emission occurs then either at observable or at unobservable (imaginary) wavelengths. We demonstrate that rotation measure (RM) synthesis allows for the reconstruction of the underlying Faraday dispersion function in the former case, but not in the latter. The presence of positive magnetic helicity can thus be detected by observing positive RM in highly polarized regions in the sky and negative RM in weakly polarized regions. Conversely, negative magnetic helicity can be detected by observing negative RM in highly polarized regions and positive RM in weakly polarized regions. The simultaneous presence of two magnetic constituents with opposite signs of helicity is shown to possess signatures that can be quantified through polarization peaks at specific wavelengths and the gradient of the phase of the Faraday dispersion function. Similar polarization peaks can tentatively also be identified for the bi-helical magnetic fields that are generated self-consistently by a dynamo from helically forced turbulence, even though the magnetic energy spectrum is then continuous. Finally, we discuss the possibility of detecting magnetic fields with helical and non-helical properties in external galaxies using the Square Kilometre Array.

  3. New Exact Relations for Helicities in Hall Magnetohydrodynamic Turbulence

    NASA Astrophysics Data System (ADS)

    Banerjee, Supratik; Galtier, Sebastien

    2016-04-01

    Hall magnetohydrodynamics is a mono-fluid plasma model appropriate for probing Final{some of the} physical processes (other than pure kinetic effects) at length scales smaller than the scales of standard MHD. In sub-ionic space plasma turbulence (e.g. the solar wind) this fluid model has been proved to be useful. Three-dimensional incompressible Hall magnetohydrodynamics (MHD) possesses three inviscid invariants which are the total energy, the magnetic helicity and the generalized helicity. In this presentation, we would like to discuss new exact relations for helicities (magnetic helicities and generalized helicities) which are derived for homogeneous stationary (not necessarily isotropic) Hall MHD turbulence (and also for its inertialess electron MHD limit) in the asymptotic limit of large Reynolds numbers. The universal laws are written only in terms of mixed second-order structure functions, i.e. the scalar product of two different increments and are written simply as ηM = di < δ ( {b} × {j}) \\cdot δ {b} >, with ηM the average magnetic helicity flux rate, {b} the magnetic field, {j} the current and ± ηG = < δ ( {v} × {Ω} ) \\cdot δ {Ω} > , with ηM the average generalized helicity flux rate, {v} the fluid velocity and {Ω} = {b} + dI {ω} being the generalized helicity where ω is simply the fluid vorticity ( = nabla × {v}). It provides, therefore, a direct measurement of the dissipation rates for the corresponding helicities even in case of an anisotropic plasma turbulence. This study shows that the generalized helicity cascade is strongly linked to the left polarized fluctuations while the magnetic helicity cascade is linked to the right polarized fluctuations. The newly derived relations also show that like energy, a non-zero helicity flux can only be associated to a departure of Beltrami flow state. {Reference} S. Banerjee & S. Galtier, {Chiral Exact Relations for Helicities in Hall Magnetohydrodynamic Turbulence} (submitted).

  4. SMART Observation of Magnetic Helicity in Solar Filaments

    NASA Astrophysics Data System (ADS)

    Hagino, M.; Kitai, R.; Shibata, K.

    2006-08-01

    We examined the magnetic helicity of solar filaments from their structure in the chromosphere and corona. The H-alpha telescope of the Solar Magnetic Activity Research Telescope (SMART) observed 239 intermediate filaments from 2005 July 1 to 2006 May 15. The intermediate filament usually locates between two active regions. Using these images, we identified the filament spine and its barbs, and determined the chromospheric filament helicity from the mean angle between each barbs and a spine. We found that 71% (78 of 110) of intermediate filaments in the northern hemisphere are negative helicity and 67% (87 of 129) of filaments in the southern hemisphere are positive, which agreed with the well-known hemispheric tendency of the magnetic helicity. Additionally, we studied the coronal helicity of intermediate filaments. The coronal filament helicity is defined as the crossing angle of threads formed a filament. The helicity pattern of coronal filaments obtained with EIT/SOHO 171A also shows the helicity hemispheric tendency. Namely, 65% (71 of 110) of coronal filaments in the northern hemisphere exhibit negative helicity and the 65% (84 of 129) of filaments in the southern hemisphere show negative helicity. These data were observed in the same day with the SMART H-alpha data. Moreover, we found 12 filament eruptions in our data. The 7 of 12 filaments show the clear opposite sign of the hemispheric tendency of the magnetic helicity. The helicity seems to be change during temporal evolution. This results suggest that filament instability may be driven by the opposite sign helicity injection from the foot point of the barb.

  5. Improved 1D model for calculating hydraulic properties in meandering rivers: Comparisons with measurements and 3D numerical simulations

    NASA Astrophysics Data System (ADS)

    Haji Mohammadi, M.; Kang, S.; Sotiropoulos, F.

    2011-12-01

    It is well-known that meander bends impose local losses of energy to the flow in rivers. These local losses should be added together with friction loss to get the total loss of energy. In this work, we strive to develop a framework that considers the effect of bends in meandering rivers for one-dimensional (1-D) homogenous equations of flow. Our objective is to develop a simple, yet physically sound, and efficient model for carrying out engineering computations of flow through meander bends. We consider several approaches for calculating 1-D hydraulic properties of meandering rivers such as friction factor and Manning coefficient. The method of Kasper et al. (2005), which is based on channel top width, aspect ratio and radius of curvature, is adopted for further calculations. In this method, a correction is implemented in terms of local energy loss, due to helical motion and secondary currents of fluid particles driven by centrifugal force, in meanders. To validate the model, several test cases are simulated and the computed results are compared with the reported data in the literature in terms of water surface elevation, shear velocity, etc. For all cases the computed results are in reasonable agreement with the experimental data. 3-D RANS turbulent flow simulations are also carried out, using the method of Kang et al. (Adv. In Water Res., vol. 34, 2011), for different geometrical parameters of Kinoshita Rivers to determine the spatial distribution of shear stress on river bed and banks, which is the key factor in scour/deposition patterns. The 3-D solutions are then cross-sectionally averaged and compared with the respective solutions from the 1-D model. The comparisons show that the improved 1D model, which incorporates the effect of local bend loss, captures key flow parameters with reasonable accuracy. Our results also underscore the range of validity and limitations of 1D models for meander bend simulations. This work was supported by NSF Grants (as part of

  6. Mouse and Human CD1d-Self-Lipid Complexes Are Recognized Differently by Murine Invariant Natural Killer T Cell Receptors

    PubMed Central

    Guo, Tingxi; Chamoto, Kenji; Nakatsugawa, Munehide; Ochi, Toshiki; Yamashita, Yuki; Anczurowski, Mark; Butler, Marcus O.; Hirano, Naoto

    2016-01-01

    Invariant natural killer T (iNKT) cells recognize self-lipids presented by CD1d through characteristic TCRs, which mainly consist of the invariant Vα14-Jα18 TCRα chain and Vβ8.2, 7 or 2 TCRβ chains with hypervariable CDR3β sequences in mice. The iNKT cell-CD1d axis is conserved between humans and mice, and human CD1d reactivity of murine iNKT cells have been described. However, the detailed differences between the recognition of human and mouse CD1d bound to various self-lipids by mouse iNKT TCRs are largely unknown. In this study, we generated a de novo murine iNKT TCR repertoire with a wider range of autoreactivity compared with that of naturally occurring peripheral iNKT TCRs. Vβ8.2 mouse iNKT TCRs capable of recognizing the human CD1d-self-lipid tetramer were identified, although such clones were not detectable in the Vβ7 or Vβ2 iNKT TCR repertoire. In line with previously reports, clonotypic Vβ8.2 iNKT TCRs with unique CDR3β loops did not discriminate among lipids presented by mouse CD1d. Unexpectedly, however, these iNKT TCRs showed greater ligand selectivity toward human CD1d presenting the same lipids. Our findings demonstrated that the recognition of mouse and human CD1d-self-lipid complexes by murine iNKT TCRs is not conserved, thereby further elucidating the differences between cognate and cross-species reactivity of self-antigens by mouse iNKT TCRs. PMID:27213277

  7. Guest-Induced Arylamide Polymer Helicity: Twist-Sense Bias and Solvent-Dependent Helicity Inversion.

    PubMed

    Zhang, Peng; Zhang, Liang; Wang, Ze-Kun; Zhang, Yun-Chang; Guo, Rong; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting

    2016-06-01

    A benzene/naphthalene alternately incorporated amide polymer was synthesized and characterized. (1) H NMR spectroscopy, fluorescence, and circular dichroism (CD) experiments indicated that, in chloroform, the polymer could be induced by the chiral l-aspartic acid dianion or one of its derivatives to form a helical tubular conformation with twist-sense bias. CD titration studies showed that the l-aspartic acid dianion (8 equiv.) could lead to a maximum Cotton effect. It was also revealed that the twist-sense bias obeyed the majority rule, and 70 % enantiomeric excess could realize the maximum helicity bias. Adding acetonitrile to the solution of chloroform caused inversion of the guest-induced helicity bias of the polymer. PMID:27027979

  8. Helical muon beam cooling channel engineering design

    SciTech Connect

    Johnson, Rolland

    2015-08-07

    The Helical Cooling Channel (HCC) achieves effective ionization cooling of the six-dimensional (6d) phase space of a muon beam by means of a series of 21st century inventions. In the HCC, hydrogen-pressurized RF cavities enable high RF gradients in strong external magnetic fields. The theory of the HCC, which requires a magnetic field with solenoid, helical dipole, and helical quadrupole components, demonstrates that dispersion in the gaseous hydrogen energy absorber provides effective emittance exchange to enable longitudinal ionization cooling. The 10-year development of a practical implementation of a muon-beam cooling device has involved a series of technical innovations and experiments that imply that an HCC of less than 300 m length can cool the 6d emittance of a muon beam by six orders of magnitude. We describe the design and construction plans for a prototype HCC module based on oxygen-doped hydrogen-pressurized RF cavities that are loaded with dielectric, fed by magnetrons, and operate in a superconducting helical solenoid magnet. The first phase of this project saw the development of a conceptual design for the integration of 805 MHz RF cavities into a 10 T Nb3Sn based HS test section. Two very novel ideas are required to realize the design. The first idea is the use of dielectric inserts in the RF cavities to make them smaller for a given frequency so that the cavities and associated plumbing easily fit inside the magnet cryostat. Calculations indicate that heat loads will be tolerable, while RF breakdown of the dielectric inserts will be suppressed by the pressurized hydrogen gas. The second new idea is the use of a multi-layer Nb3Sn helical solenoid. The technology demonstrations for the two aforementioned key components of a 10T, 805 MHz HCC were begun in this project. The work load in the Fermilab Technical Division made it difficult to test a multi-layer Nb3Sn solenoid as originally planned. Instead, a complementary project was approved by the DOE

  9. Zn(II) coordination polymers with flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties

    NASA Astrophysics Data System (ADS)

    Li, Lin; Liu, Chong-Bo; Yang, Gao-Shan; Xiong, Zhi-Qiang; Liu, Hong; Wen, Hui-Liang

    2015-11-01

    Hydrothermal reactions of 2,2‧-[hexafluoroisopropylidenebis(p-phenyleneoxy)]diacetic acid (H2L) and zinc ions in the presence of N-donor ancillary ligands afford four novel coordination polymers, namely, [Zn2(μ2-OH)(μ4-O)0.5(L)]·0.5H2O (1), [Zn(L)(2,2‧-bipy)(H2O)] (2), [Zn3(L)3(phen)2]·H2O (3) and [Zn2(L)2(4,4‧-bipy)] (4) (2,2‧-bipy=2,2‧-bipyridine; 4,4‧-bipy=4,4‧-bipyridine; phen=1,10-phenanthroline). Their structures have been determined by single-crystal X-ray diffraction analyses, elemental analyses, IR spectra, powder X-ray diffraction (PXRD), and thermogravimetric (TG) analyses. Complex 1 shows a 3-D clover framework consisting of [Zn4(μ4-O)(μ2-OH)2]4+ clusters, and exhibits a novel (3,8)-connected topological net with the Schläfli symbol of {3·4·5}2{34·44·52·66·710·82}, and contains double-stranded and two kinds of meso-helices. 2 displays a helical chain structure, which is further extended via hydrogen bonds into a 3-D supramolecular structure with meso-helix chains. 3 displays a 2-D {44·62} parallelogram structure, which is further extended via hydrogen bonds into a 3-D supramolecular structure with single-stranded helical chains. 4 shows a 2-D {44·62} square structure with left- and right-handed helical chains. Moreover, the luminescent properties of 1-4 have been investigated.

  10. The Extended Family of CD1d-Restricted NKT Cells: Sifting through a Mixed Bag of TCRs, Antigens, and Functions

    PubMed Central

    Macho-Fernandez, Elodie; Brigl, Manfred

    2015-01-01

    Natural killer T (NKT) cells comprise a family of specialized T cells that recognize lipid antigens presented by CD1d. Based on their T cell receptor (TCR) usage and antigen specificities, CD1d-restricted NKT cells have been divided into two main subsets: type I NKT cells that use a canonical invariant TCR α-chain and recognize α-galactosylceramide (α-GalCer), and type II NKT cells that use a more diverse αβ TCR repertoire and do not recognize α-GalCer. In addition, α-GalCer-reactive NKT cells that use non-canonical αβ TCRs and CD1d-restricted T cells that use γδ or δ/αβ TCRs have recently been identified, revealing further diversity among CD1d-restricted T cells. Importantly, in addition to their distinct antigen specificities, functional differences are beginning to emerge between the different members of the CD1d-restricted T cell family. In this review, while using type I NKT cells as comparison, we will focus on type II NKT cells and the other non-invariant CD1d-restricted T cell subsets, and discuss our current understanding of the antigens they recognize, the formation of stimulatory CD1d/antigen complexes, the modes of TCR-mediated antigen recognition, and the mechanisms and consequences of their activation that underlie their function in antimicrobial responses, anti-tumor immunity, and autoimmunity. PMID:26284062

  11. Blood flow quantification using 1D CFD parameter identification

    NASA Astrophysics Data System (ADS)

    Brosig, Richard; Kowarschik, Markus; Maday, Peter; Katouzian, Amin; Demirci, Stefanie; Navab, Nassir

    2014-03-01

    Patient-specific measurements of cerebral blood flow provide valuable diagnostic information concerning cerebrovascular diseases rather than visually driven qualitative evaluation. In this paper, we present a quantitative method to estimate blood flow parameters with high temporal resolution from digital subtraction angiography (DSA) image sequences. Using a 3D DSA dataset and a 2D+t DSA sequence, the proposed algorithm employs a 1D Computational Fluid Dynamics (CFD) model for estimation of time-dependent flow values along a cerebral vessel, combined with an additional Advection Diffusion Equation (ADE) for contrast agent propagation. The CFD system, followed by the ADE, is solved with a finite volume approximation, which ensures the conservation of mass. Instead of defining a new imaging protocol to obtain relevant data, our cost function optimizes the bolus arrival time (BAT) of the contrast agent in 2D+t DSA sequences. The visual determination of BAT is common clinical practice and can be easily derived from and be compared to values, generated by a 1D-CFD simulation. Using this strategy, we ensure that our proposed method fits best to clinical practice and does not require any changes to the medical work flow. Synthetic experiments show that the recovered flow estimates match the ground truth values with less than 12% error in the mean flow rates.

  12. Validation of 3D/1D Analysis of ICRF Antennas

    NASA Astrophysics Data System (ADS)

    Milanesio, D.; Lancellotti, V.; Kyrytsya, V.; Maggiora, R.; Vecchi, G.; Parisot, A.; Wukitch, S. J.

    2004-11-01

    An innovative tool has been realized for the 3D/1D simulation of Ion Cyclotron Radio Frequency (ICRF), i.e. accounting for antennas in a realistic 3D geometry and with an accurate 1D plasma model. The approach to the problem is based on an integral-equation formulation for the self-consistent evaluation of the current distribution on the conductors. The environment has been subdivided in two coupled region: the plasma region and the vacuum region. The two problems are linked by means of electromagnetic current distribution on the aperture between the two regions. The plasma enters the formalism via a surface impedance matrix for this reason any plasma model can be used. The source term directly models the TEM mode of the coax feeding the antenna and the current in the coax is determined self-consistently, giving the input impedance/admittance of the antenna itself. The suite, called TOPICA, has been used in the design of various ICRF antennas and also for the performance prediction of the ALCATOR C-MOD D and E antenna. An extensive set of comparisons between measured and simulated antenna parameters during ALCATOR C-MOD operation will be presented.

  13. Engineered atom-light interactions in 1D photonic crystals

    NASA Astrophysics Data System (ADS)

    Martin, Michael J.; Hung, Chen-Lung; Yu, Su-Peng; Goban, Akihisa; Muniz, Juan A.; Hood, Jonathan D.; Norte, Richard; McClung, Andrew C.; Meenehan, Sean M.; Cohen, Justin D.; Lee, Jae Hoon; Peng, Lucas; Painter, Oskar; Kimble, H. Jeff

    2014-05-01

    Nano- and microscale optical systems offer efficient and scalable quantum interfaces through enhanced atom-field coupling in both resonators and continuous waveguides. Beyond these conventional topologies, new opportunities emerge from the integration of ultracold atomic systems with nanoscale photonic crystals. One-dimensional photonic crystal waveguides can be engineered for both stable trapping configurations and strong atom-photon interactions, enabling novel cavity QED and quantum many-body systems, as well as distributed quantum networks. We present the experimental realization of such a nanophotonic quantum interface based on a nanoscale photonic crystal waveguide, demonstrating a fractional waveguide coupling of Γ1 D /Γ' of 0 . 32 +/- 0 . 08 , where Γ1 D (Γ') is the atomic emission rate into the guided (all other) mode(s). We also discuss progress towards intra-waveguide trapping of ultracold Cs. This work was supported by the IQIM, an NSF Physics Frontiers Center with support from the Moore Foundation, the DARPA ORCHID program, the AFOSR QuMPASS MURI, the DoD NSSEFF program, NSF, and the Kavli Nanoscience Institute (KNI) at Caltech.

  14. Quantization of Energy in 1D Model of Crystal Lattice with Local Perturbations Induced by Ion-Beam Impact

    NASA Astrophysics Data System (ADS)

    Minárik, Stanislav

    2015-08-01

    In this paper, we propose theoretical basis for investigation of dynamics of acoustic phonons in a thin layers containing nano-scale structural inhomogeneities. One-dimensional (1D) model of a crystal lattice was considered to reveal specific features of the processes arising in such system of phonons in equilibrium state. Standard quantization of energy of 1D ionic chain vibrating by acoustic frequencies was carried out while the presence of foreign ions in this chain was taken into account. Since only two dimensions are dominant in thin layers, only longitudinal vibrations of the chain in the plane of the layer were considered. Results showed that foreign ions affect the energy quantization. Phonon-phonon interaction between two phonon`s modes can be expected if the mass of foreign ions implanted by ion-beam differs from the mass of ions in the initial layer. We believe that the obtained results will help to understand the character of phonon systems in nanostructured thin layers prepared by ion-bem technology, and will allow better explain some thermal and electrical phenomena associated with lattice dynamics in such layers.

  15. A series of novel 1D coordination polymers constructed from metal?quinolone complex fragments linked by aromatic dicarboxylate ligands

    NASA Astrophysics Data System (ADS)

    He, Jiang-Hong; Xiao, Dong-Rong; Yan, Shi-Wei; Sun, Dian-Zhen; Chen, Hai-Yan; Wang, Xin; Yang, Juan; Ye, Zhong-Li; Yuan, Ruo; Wang, En-Bo

    2012-08-01

    Self-assembly of quinolones with metal salts in the presence of aromatic dicarboxylate ligands affords a series of novel 1D metal-quinolone complexes, namely [Mn(Hppa)(oba)]·3H2O (1), [Co(Hppa)(oba)]·3.25H2O (2), [Zn(Hppa)(sdba)]·1.5H2O (3), [Mn(Hcf)(bpda)(H2O)]·2H2O (4), [Mn(Hppa)2(bpdc)] (5) and [Mn(Hlome)2(bpdc)]·4H2O (6) (Hppa = Pipemidic acid, Hcf = ciprofloxacin, Hlome = lomefloxacin). The structures of compounds 1-3 consist of novel polymeric chains spanning two different directions, which display an intriguing 1D → 3D inclined polycatenation of supramolecular ladders. Compound 4 exhibits a chain compound formed from the interconnection of [Mn2(Hcf)2(μ-CO2)2] dimers with bpda ligands. Compounds 5 and 6 are similar chain compounds constructed from [Mn(Hppa)2] (or [Mn(Hlome)2]) fragments linked by bpdc ligands. The magnetic properties of 4 have been studied, which indicate the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compound 3 are discussed.

  16. Ionic α-Helical Polypeptides towards Non-Viral Gene Delivery

    PubMed Central

    Zhang, Rujing; Song, Ziyuan; Yin, Lichen; Zheng, Nan; Tang, Haoyu; Lu, Hua; Gabrielson, Nathan P.; Lin, Yao; Kim, Kyung; Cheng, Jianjun

    2014-01-01

    The advent of polymeric materials has significantly promoted the development and rapid growth of various technologies in biomedical applications, such as tissue engineering and controlled drug and gene delivery. Water-soluble polypeptides bearing functional side chains and adopting stable secondary structures are a new class of functional polymeric materials of potentially broad applications in medicine and biotechnology. In this article, we summarize our recent effort on the design and synthesis of the water-soluble α-helical ionic polypeptides originally developed in our laboratory and highlight their applications in cell membrane penetration and non-viral gene/siRNA delivery. PMID:25377262

  17. Single-Layered Hybrid Materials Based on 1D Associated Metalorganic Nanoribbons for Controlled Release of Pheromones.

    PubMed

    Moreno, José María; Navarro, Ismael; Díaz, Urbano; Primo, Jaime; Corma, Avelino

    2016-09-01

    A new family of stable layered organic-inorganic materials has been prepared, in one-step solvothermal process. They are based on an ordered nickel cluster-type nanoribbons separated from each other by specific alkyl (heptyl- or dodecyl-) arylic mono-carboxylate moieties acting as molecular spacers, perpendicular to the 1D inorganic chains. These organic spacers contain hydrocarbon tails with different length which control the separation level between inorganic 1D sub-units, inhibiting the 3D growth of conventional DUT-8-type metal-organic frameworks (MOFs). The lamellar nature of the materials formed was studied and confirmed by different characterization techniques, showing the structural location of individual organic and inorganic building units. They have been successfully used as a long-lasting biodegradable and water-proof materials for controlled release of chemicals, such as pheromones for sustainable treatment of insect plagues. PMID:27444798

  18. Zn(1,3-DAP)[B4O7]: a rare chiral zeolitic framework constructed of four-connected [B4O9] clusters with a single-stranded helical channel.

    PubMed

    Pan, Chun-Yang; Zhong, Li-Juan; Zhao, Feng-Hua; Yang, Hong-Mei; Zhou, Jian

    2015-01-14

    A zinc borate Zn(1,3-DAP)[B4O7] (1) was prepared. 1 was revealed to be a rare chiral zeolitic framework based on a [B4O9] cluster. The combination of a [B4O9] cluster and Zn(1,3-DAP)O3 chain produced a helical ribbon motif and gave rise to a single-stranded helical channel. PMID:25421529

  19. Resistive Interchange Modes Destabilized by Helically Trapped Energetic Ions in a Helical Plasma

    NASA Astrophysics Data System (ADS)

    Du, X. D.; Toi, K.; Osakabe, M.; Ohdachi, S.; Ido, T.; Tanaka, K.; Yokoyama, M.; Yoshinuma, M.; Ogawa, K.; Watanabe, K. Y.; Isobe, M.; Nagaoka, K.; Ozaki, T.; Sakakibara, S.; Seki, R.; Shimizu, A.; Suzuki, Y.; Tsuchiya, H.

    2015-04-01

    A new bursting m =1 /n =1 instability (m ,n : poloidal and toroidal mode numbers) with rapid frequency chirping down has been observed for the first time in a helical plasma with intense perpendicular neutral beam injection. This is destabilized in the plasma peripheral region by resonant interaction between helically trapped energetic ions and the resistive interchange mode. A large radial electric field is induced near the edge due to enhanced radial transport of the trapped energetic ions by the mode, and leads to clear change in toroidal plasma flow, suppression of microturbulence, and triggering an improvement of bulk plasma confinement.

  20. Regulation of CD1d expression by murine tumor cells: escape from immunosurveillance or alternate target molecules?

    PubMed

    Fiedler, Tim; Walter, Wolfgang; Reichert, Torsten E; Maeurer, Markus J

    2002-03-20

    alpha beta+ TCR T cells recognize peptide fragments displayed by MHC-class I or -class II molecules. Recently, additional mechanisms of antigen recognition by T cells have been identified, including CD1-mediated presentation of nonpeptide antigens. Only a limited number of CD1 antigens is retained in the mouse, i.e., the group II CD1 antigens, which are split into CD1D1 and CD1d2. Several T cell subsets have been shown to interact with murine CD1 antigens, including NK cells or "natural T cells" with the invariant V alpha 14 J alpha 281 TCR chain. Even if TAP defects may prevent classical endogenous antigen presentation in tumor cell lines, antigen presentation via CD1 is still functional. Therefore, CD1-mediated recognition of transformed cells by NK cells or "natural T cells" may represent an alternative way for immune surveillance. CD1 cell surface expression in murine tumor cell lines of different histology, including the B cell lymphoma A20, macrophage cell lines J774 and P388D1, mastocytoma P815, thymoma EL-4, melanoma B16, colon adenocarcinoma MC-38 and renal carcinoma Renca is regulated by Th1- (IFN-gamma), Th2- (IL-4, IL-10 and vIL-10) or GM-CSF (Th1/Th2) cytokines, depending on the tumor histology. In order to distinguish between CD1D1 and CD1d2 molecules, we examined differential expression of these CD1 isoforms by ratio RT-PCR: A20, EL-4, P815 and MC-38 cells exclusively express CD1D1 transcripts but not CD1D2 mRNA independent of cytokine treatment. Decreased CD1d expression leads to reduced immune recognition of CD1d+ tumor cells by freshly isolated NK1.1(+) effector cells as defined by cytolysis and IFN-gamma release. Thus, modulation of CD1 expression on tumor cells by cytokines may be advantageous to drive cellular anti-tumor antigen directed immune responses directed against TAP-independent, non-classical MHC restricting molecules. PMID:11920590

  1. Laminin alpha1 chain mediated reduction of laminin alpha2 chain deficient muscular dystrophy involves integrin alpha7beta1 and dystroglycan.

    PubMed

    Gawlik, Kinga I; Mayer, Ulrike; Blomberg, Kristina; Sonnenberg, Arnoud; Ekblom, Peter; Durbeej, Madeleine

    2006-03-20

    Transgenically introduced laminin (LN) alpha1 chain prevents muscular dystrophy in LNalpha2 chain deficient mice. We now report increased integrin alpha7Bbeta1D synthesis in dystrophic LNalpha2 chain deficient muscle. Yet, immunofluorescence demonstrated a reduced expression of integrin alpha7B subunit at the sarcolemma. Transgenic expression of LNalpha1 chain reconstituted integrin alpha7B at the sarcolemma. Expression of alpha- and beta-dystroglycan is enhanced in LNalpha2 chain deficient muscle and normalized by transgenic expression of LNalpha1 chain. We suggest that LNalpha1 chain in part ameliorates the development of LNalpha2 chain deficient muscular dystrophy by retaining the binding sites for integrin alpha7Bbeta1D and alpha-dystroglycan, respectively. PMID:16504180

  2. Helical growth in plant organs: mechanisms and significance.

    PubMed

    Smyth, David R

    2016-09-15

    Many plants show some form of helical growth, such as the circular searching movements of growing stems and other organs (circumnutation), tendril coiling, leaf and bud reversal (resupination), petal arrangement (contortion) and leaf blade twisting. Recent genetic findings have revealed that such helical growth may be associated with helical arrays of cortical microtubules and of overlying cellulose microfibrils. An alternative mechanism of coiling that is based on differential contraction within a bilayer has also recently been identified and underlies at least some of these growth patterns. Here, I provide an overview of the genes and cellular processes that underlie helical patterning. I also discuss the diversity of helical growth patterns in plants, highlighting their potential adaptive significance and comparing them with helical growth patterns in animals. PMID:27624832

  3. A Half Century of Magnetic Helicity in the Solar Wind

    NASA Astrophysics Data System (ADS)

    Bieber, J. W.

    2015-12-01

    Using NASA's "OMNI" dataset, this work presents observations of the net magnetic helicity and the normalized helicity spectrum at 1 AU over the period 1965 - 2014. Past studies (1,2) reported that the helicity at large scales has a definite dominant sign organized with respect to the heliospheric current sheet, with negative helicities occurring north of the current sheet, and positive helicities south. The present study confirms this pattern and extends it by more than two solar cycles and past the most recent solar maximum. Particle scattering by turbulence with finite magnetic helicity is one of only two known particle transport mechanisms that are sensitive to particle charge sign and magnetic field polarity. Implications to cosmic ray transport will be discussed. References: (1) Bieber, Evenson, and Matthaeus, Geophys. Res. Lett. , Vol 14, p 864, 1987. (2) Smith and Bieber, Proc. 23rd Internat. Cosmic Ray Conf. (Calgary), Vol 3, p 493, 1993.

  4. Exotic low-energy separation in 1D quantum liquids

    SciTech Connect

    Carmelo, J.M.P.; Neto, A.H.C.; Campbell, D.K.

    1995-05-01

    We define the low-energy separation of the Hubbard chain in a magnetic field and chemical potential in terms of two {open_quotes}c{close_quotes} and {open_quotes}s{close_quotes} bosonic algebras. This generalizes the usual charge-spin separation, which is recovered in the limit of zero magnetization only. The corresponding pseudoparticle bosonization follows directly from the perturbative character of the pseudoparticle operator basis.

  5. Helical Poly(5-alkyl-2,3-thiophene)s: Controlled Synthesis and Structure Characterization

    DOE PAGESBeta

    Zhang, Hong-Hai; Ma, Chuanxu; Bonnesen, Peter V.; Zhu, Jiahua; Sumpter, Bobby G.; Carrillo, Jan-Michael Y.; Yin, Panchao; Wang, Yangyang; Li, An-Ping; Hong, Kunlun

    2016-07-12

    Whereas Poly(3-alkyl-2,5-thiophene)s (P3AT), with many potential applications, have been extensively investigated, their ortho-connected isomers, poly(5-alkyl-2,3-thiophene)s (P5AT), have never been reported because of the difficulty in their syntheses. We herein present the first synthesis of regioregular P5AT via controlled Suzuki cross-coupling polymerization with PEPPSI-IPr as catalyst, affording the polymers with tunable molecular weight, narrow polydispersity (PDI) and well-defined functional end groups at the gram scale. The helical geometry of P5AT was studied by a combination of NMR, small angle x-ray scattering (SAXS) and scanning tunneling microscopy (STM). Particularly, the single polymer chain of poly(5- 2 butyl-2,3-thiophene) (P5BT) on highly oriented pyrolyticmore » graphite (HOPG) substrates with either M or P helical conformation was directly observed by STM. The comparison of UV-vis absorption between poly(5-hexyl-2,3-thiophene) (P5HT) (λ = 345 nm) and poly(3-hexyl-2,5- thiophene) (P3HT) (λ = 450 nm) indicated that the degree of conjugation of the backbone in P5HT is less than in P3HT, which may be a consequence of the helical geometry of the former compared to the more planar geometry of the latter. Moreover, we found that P5HT can emit green fluorescence under UV (λ = 360 nm) irradiation« less

  6. Non-Kolmogorov cascade of helicity-driven turbulence

    NASA Astrophysics Data System (ADS)

    Kessar, Mouloud; Plunian, Franck; Stepanov, Rodion; Balarac, Guillaume

    2015-09-01

    We solve the Navier-Stokes equations with two simultaneous forcings. One forcing is applied at a given large scale and it injects energy. The other forcing is applied at all scales belonging to the inertial range and it injects helicity. In this way we can vary the degree of turbulence helicity from nonhelical to maximally helical. We find that increasing the rate of helicity injection does not change the energy flux. On the other hand, the level of total energy is strongly increased and the energy spectrum gets steeper. The energy spectrum spans from a Kolmogorov scaling law k-5 /3 for a nonhelical turbulence, to a non-Kolmogorov scaling law k-7 /3 for a maximally helical turbulence. In the latter case we find that the characteristic time of the turbulence is not the turnover time but a time based on the helicity injection rate. We also analyze the results in terms of helical modes decomposition. For a maximally helical turbulence one type of helical mode is found to be much more energetic than the other one, by several orders of magnitude. The energy cascade of the most energetic type of helical mode results from the sum of two fluxes. One flux is negative and can be understood in terms of a decimated model. This negative flux, however, is not sufficient to lead an inverse energy cascade. Indeed, the other flux involving the least energetic type of helical mode is positive and the largest. The least energetic type of helical mode is then essential and cannot be neglected.

  7. Decay of magnetic helicity producing polarized Alfven waves

    SciTech Connect

    Yoshida, Z.; Mahajan, S.M.

    1994-02-01

    When a super-Alfvenic electron beam propagates along an ambient magnetic field, the left-hand circularly polarized Alfven wave is Cherenkov-emitted (two stream instability). This instability results in a spontaneous conversion of the background plasma helicity to the wave helicity. The background helicity induces a frequency (energy) shift in the eigenmodes, which changes the critical velocity for Cherenkov emission, and it becomes possible for a sub-Alfvenic electron beam to excite a nonsingular Alfven mode.

  8. Design of natural killer T cell activators: Structure and function of a microbial glycosphingolipid bound to mouse CD1d

    PubMed Central

    Wu, Douglass; Zajonc, Dirk M.; Fujio, Masakazu; Sullivan, Barbara A.; Kinjo, Yuki; Kronenberg, Mitchell; Wilson, Ian A.; Wong, Chi-Huey

    2006-01-01

    Natural killer T (NKT) cells provide an innate-type immune response upon T cell receptor interaction with CD1d-presented antigens. We demonstrate through equilibrium tetramer binding and antigen presentation assays with Vα14i-positive NKT cell hybridomas that the Sphingomonas glycolipid α-galacturonosyl ceramide (GalA-GSL) is a NKT cell agonist that is significantly weaker than α-galactosylceramide (α-GalCer), the most potent known NKT agonist. For GalA-GSL, a shorter fatty acyl chain, an absence of the 4-OH on the sphingosine tail and a 6′-COOH group on the galactose moiety account for its observed antigenic potency. We further determined the crystal structure of mCD1d in complex with GalA-GSL at 1.8-Å resolution. The overall binding mode of GalA-GSL to mCD1d is similar to that of the short-chain α-GalCer ligand PBS-25, but its sphinganine chain is more deeply inserted into the F′ pocket due to alternate hydrogen-bonding interactions between the sphinganine 3-OH with Asp-80. Subsequently, a slight lateral shift (>1 Å) of the galacturonosyl head group is noted at the CD1 surface compared with the galactose of α-GalCer. Because the relatively short C14 fatty acid of GalA-GSL does not fully occupy the A′ pocket, a spacer lipid is found that stabilizes this pocket. The lipid spacer was identified by GC/MS as a mixture of saturated and monounsaturated palmitic acid (C16). Comparison of available crystal structures of α-anomeric glycosphingolipids now sheds light on the structural basis of their differential antigenic potency and has led to the design and synthesis of NKT cell agonists with enhanced cell-based stimulatory activities compared with α-GalCer. PMID:16537470

  9. Quadratic Finite Element Method for 1D Deterministic Transport

    SciTech Connect

    Tolar, Jr., D R; Ferguson, J M

    2004-01-06

    In the discrete ordinates, or SN, numerical solution of the transport equation, both the spatial ({und r}) and angular ({und {Omega}}) dependences on the angular flux {psi}{und r},{und {Omega}}are modeled discretely. While significant effort has been devoted toward improving the spatial discretization of the angular flux, we focus on improving the angular discretization of {psi}{und r},{und {Omega}}. Specifically, we employ a Petrov-Galerkin quadratic finite element approximation for the differencing of the angular variable ({mu}) in developing the one-dimensional (1D) spherical geometry S{sub N} equations. We develop an algorithm that shows faster convergence with angular resolution than conventional S{sub N} algorithms.

  10. Electron Energy Levels in the 1D-2D Transition

    NASA Astrophysics Data System (ADS)

    Pepper, Michael; Sanjeev, Kumar; Thomas, Kalarikad; Creeth, Graham; English, David; Ritchie, David; Griffiths, Jonathan; Farrer, Ian; Jones, Geraint

    Using GaAs-AlGaAs heterostructures we have investigated the behaviour of electron energy levels with relaxation of the potential confining a 2D electron gas into a 1D configuration. In the ballistic regime of transport, when the conductance shows quantized plateaux, different types of behaviour are found according to the spins of interacting levels, whether a magnetic field is applied and lifting of the momentum degeneracy with a source-drain voltage. We have observed both crossing and anti-crossing of levels and have investigated the manner in which they can be mutually converted. In the presence of a magnetic field levels can cross and lock together as the confinement is altered in a way which is characteristic of parallel channels. The overall behaviour is discussed in terms of electron interactions and the wavefunction flexibility allowed by the increasing two dimensionality of the electron distribution as the confinement is weakened. Work supported by UK EPSRC.

  11. Directed enzymatic activation of 1-D DNA tiles.

    PubMed

    Garg, Sudhanshu; Chandran, Harish; Gopalkrishnan, Nikhil; LaBean, Thomas H; Reif, John

    2015-02-24

    The tile assembly model is a Turing universal model of self-assembly where a set of square shaped tiles with programmable sticky sides undergo coordinated self-assembly to form arbitrary shapes, thereby computing arbitrary functions. Activatable tiles are a theoretical extension to the Tile assembly model that enhances its robustness by protecting the sticky sides of tiles until a tile is partially incorporated into a growing assembly. In this article, we experimentally demonstrate a simplified version of the Activatable tile assembly model. In particular, we demonstrate the simultaneous assembly of protected DNA tiles where a set of inert tiles are activated via a DNA polymerase to undergo linear assembly. We then demonstrate stepwise activated assembly where a set of inert tiles are activated sequentially one after another as a result of attachment to a growing 1-D assembly. We hope that these results will pave the way for more sophisticated demonstrations of activated assemblies. PMID:25625898

  12. Robust recognition of 1D barcodes using Hough transform

    NASA Astrophysics Data System (ADS)

    Dwinell, John; Bian, Peng; Bian, Long Xiang

    2012-01-01

    In this paper we present an algorithm for the recognition of 1D barcodes using the Hough transform, which is highly robust regarding the typical degraded image. The algorithm addresses various typical image distortions, such as inhomogeneous illumination, reflections, damaged barcode or blurriness etc. Other problems arise from recognizing low quality printing (low contrast or poor ink receptivity). Traditional approaches are unable to provide a fast solution for handling such complex and mixed noise factors. A multi-level method offers a better approach to best manage competing constraints of complex noise and fast decode. At the lowest level, images are processed in gray scale. At the middle level, the image is transformed into the Hough domain. At the top level, global results, including missing information, is processed within a global context including domain heuristics as well as OCR. The three levels work closely together by passing information up and down between levels.

  13. Axion string dynamics I: 2+1D

    NASA Astrophysics Data System (ADS)

    Fleury, Leesa M.; Moore, Guy D.

    2016-05-01

    If the axion exists and if the initial axion field value is uncorrelated at causally disconnected points, then it should be possible to predict the efficiency of cosmological axion production, relating the axionic dark matter density to the axion mass. The main obstacle to making this prediction is correctly treating the axion string cores. We develop a new algorithm for treating the axionic string cores correctly in 2+1 dimensions. When the axionic string cores are given their full physical string tension, axion production is about twice as efficient as in previous simulations. We argue that the string network in 2+1 dimensions should behave very differently than in 3+1 dimensions, so this result cannot be simply carried over to the physical case. We outline how to extend our method to 3+1D axion string dynamics.

  14. Effective theory of black holes in the 1/D expansion

    NASA Astrophysics Data System (ADS)

    Emparan, Roberto; Shiromizu, Tetsuya; Suzuki, Ryotaku; Tanabe, Kentaro; Tanaka, Takahiro

    2015-06-01

    The gravitational field of a black hole is strongly localized near its horizon when the number of dimensions D is very large. In this limit, we can effectively replace the black hole with a surface in a background geometry (e.g. Minkowski or Anti-deSitter space). The Einstein equations determine the effective equations that this `black hole surface' (or membrane) must satisfy. We obtain them up to next-to-leading order in 1/ D for static black holes of the Einstein-(A)dS theory. To leading order, and also to next order in Minkowski backgrounds, the equations of the effective theory are the same as soap-film equations, possibly up to a redshift factor. In particular, the Schwarzschild black hole is recovered as a spherical soap bubble. Less trivially, we find solutions for `black droplets', i.e. black holes localized at the boundary of AdS, and for non-uniform black strings.

  15. A 1-D morphodynamic model of postglacial valley incision

    NASA Astrophysics Data System (ADS)

    Tunnicliffe, Jon F.; Church, Michael

    2015-11-01

    Chilliwack River is typical of many Cordilleran valley river systems that have undergone dramatic Holocene degradation of valley fills that built up over the course of Pleistocene glaciation. Downstream controls on base level, mainly blockage of valleys by glaciers, led to aggradation of significant glaciofluvial and glaciolacustrine valley fills and fan deposits, subsequently incised by fluvial action. Models of such large-scale, long-term degradation present a number of important challenges since the evolution of model parameters, such as the rate of bedload transport and grain size characteristics, are governed by the nature of the deposit. Sediment sampling in the Chilliwack Valley reveals a complex sequence of very coarse to fine textural modes. We present a 1-D numerical morphodynamic model for the river-floodplain system tailored to conditions in the valley. The model is adapted to dynamically adjust channel width to optimize sediment transporting capacity and to integrate relict valley fill material as the channel incises through valley deposits. Sensitivity to model parameters is studied using four principal criteria: profile concavity, rate of downstream grain size fining, bed surface sand content, and the timescale to equilibrium. Model results indicate that rates of abrasion and coarsening of the grain size distributions exert the strongest controls on all of the interrelated model performance criteria. While there are a number of difficulties in satisfying all model criteria simultaneously, results indicate that 1-D models of valley bottom sedimentary systems can provide a suitable framework for integrating results from sediment budget studies and chronologies of sediment evacuation established from dating.

  16. Helicity conservation under quantum reconnection of vortex rings.

    PubMed

    Zuccher, Simone; Ricca, Renzo L

    2015-12-01

    Here we show that under quantum reconnection, simulated by using the three-dimensional Gross-Pitaevskii equation, self-helicity of a system of two interacting vortex rings remains conserved. By resolving the fine structure of the vortex cores, we demonstrate that the total length of the vortex system reaches a maximum at the reconnection time, while both writhe helicity and twist helicity remain separately unchanged throughout the process. Self-helicity is computed by two independent methods, and topological information is based on the extraction and analysis of geometric quantities such as writhe, total torsion, and intrinsic twist of the reconnecting vortex rings. PMID:26764622

  17. Spontaneous formation of organic helical architectures through dynamic covalent chemistry.

    PubMed

    Li, Wenfang; Dong, Zeyuan; Zhu, Junyan; Luo, Quan; Liu, Junqiu

    2014-12-01

    The spontaneous formation of organic helical structures, accompanied with an amplification of chirality, by dynamic covalent bonds between achiral and chiral building blocks is reported. PMID:25325888

  18. Large-scale flow generation by inhomogeneous helicity

    NASA Astrophysics Data System (ADS)

    Yokoi, N.; Brandenburg, A.

    2016-03-01

    The effect of kinetic helicity (velocity-vorticity correlation) on turbulent momentum transport is investigated. The turbulent kinetic helicity (pseudoscalar) enters the Reynolds stress (mirror-symmetric tensor) expression in the form of a helicity gradient as the coupling coefficient for the mean vorticity and/or the angular velocity (axial vector), which suggests the possibility of mean-flow generation in the presence of inhomogeneous helicity. This inhomogeneous helicity effect, which was previously confirmed at the level of a turbulence- or closure-model simulation, is examined with the aid of direct numerical simulations of rotating turbulence with nonuniform helicity sustained by an external forcing. The numerical simulations show that the spatial distribution of the Reynolds stress is in agreement with the helicity-related term coupled with the angular velocity, and that a large-scale flow is generated in the direction of angular velocity. Such a large-scale flow is not induced in the case of homogeneous turbulent helicity. This result confirms the validity of the inhomogeneous helicity effect in large-scale flow generation and suggests that a vortex dynamo is possible even in incompressible turbulence where there is no baroclinicity effect.

  19. Applying of helicity in an analysis of a severe sandstorm

    NASA Astrophysics Data System (ADS)

    Tao, Jian-hong; Wang, Jin-song; Feng, Jian-ying; Chang, Yue; Liu, Xiao-li

    2005-08-01

    The helicity of a severe sandstorm happened in Northwest China was analyzed by using global reanalysis grid data of NCEP/NCAR for 4 times a day. As an important physical parameter in analyzing and predicting severe convective weather, the helicity also has good indication in the forecasting of sandstorm. The distribution of helicity over the sandstorm area was negative at higher levels and positive at lower levels. There was definite relationship between the evolvement of helicity's negative value at higher levels and the occurrence of sandstorm.

  20. Helical Magnetic Fields from Sphaleron Decay and Baryogenesis

    SciTech Connect

    Copi, Craig J.; Ferrer, Francesc; Vachaspati, Tanmay; Achucarro, Ana

    2008-10-24

    Many models of baryogenesis rely on anomalous particle physics processes to give baryon number violation. By numerically evolving the electroweak equations on a lattice, we show that baryogenesis in these models creates helical cosmic magnetic fields, though the helicity created is smaller than earlier analytical estimates. After a transitory period, electroweak dynamics is found to conserve the Chern-Simons number and the total electromagnetic helicity. We argue that baryogenesis could lead to magnetic fields of nano-Gauss strength today on astrophysical length scales. In addition to being astrophysically relevant, such helical magnetic fields can provide an independent probe of baryogenesis and CP violation in particle physics.

  1. Potential vorticity and helicity in a moist atmosphere

    NASA Astrophysics Data System (ADS)

    Kurgansky, Michael

    2013-04-01

    The helicity balance equation and Ertel's theorem on potential vorticity are applied for an analysis of helical flows of moist unsaturated air and for clarifying the conditions of spontaneous amplification (generation) of helicity due to the atmospheric baroclinicity. Critical comparison is made with the case of dry atmosphere. Spontaneous amplification of helicity owing to the latent heating is also addressed and possible generalization of the proposed methodology onto the case of precipitating atmosphere is highlighted, aiming inter alia at the problem of origination of tornadoes and waterspouts.

  2. Helical structure of Bordetella pertussis fimbriae.

    PubMed Central

    Steven, A C; Bisher, M E; Trus, B L; Thomas, D; Zhang, J M; Cowell, J L

    1986-01-01

    The helical structures of Bordetella pertussis fimbriae of serotypes 2 and 6 were determined by optical diffraction analysis of electron micrographs of negatively stained paracrystalline bundles of purified fimbriae. The fimbrial structure is based on an axial repeat of 13 nm that contains five repeating units in two complete turns of a single-start helix. This structure was confirmed by direct measurements of mass per unit length for individual fimbriae performed by dark-field scanning transmission electron microscopy of unstained specimens. These data further established that the helically repeating unit is a monomer of fimbrial protein (Mr congruent to 22,000 for type 2 and Mr congruent to 21,500 for type 6). Radial density profiles calculated from the scanning transmission electron micrographs showed that the fimbria has peak density at its center, i.e., no axial channel, consistent with the results of conventional negative-staining electron microscopy. The radial profile gives an outermost diameter of approximately 7.5 nm, although the peripheral density is, on average, diffuse, allowing sufficient intercalation between adjacent fimbriae to give a center-to-center spacing of approximately 5.5 nm in the paracrystals. Despite serological and biochemical differences between type 2 and type 6 fimbriae, the packing arrangements of their fimbrial subunits are identical. From this observation, we infer that the respective subunits may have in common conserved regions whose packing dictates the helical geometry of the fimbria. It is plausible that a similar mechanism may underlie the phenomenon of phase variations in other systems of bacterial fimbriae. Images PMID:2875062

  3. Crater Chains

    NASA Technical Reports Server (NTRS)

    2003-01-01

    [figure removed for brevity, see original site]

    The large crater at the top of this THEMIS visible image has several other craters inside of it. Most noticeable are the craters that form a 'chain' on the southern wall of the large crater. These craters are a wonderful example of secondary impacts. They were formed when large blocks of ejecta from an impact crashed back down onto the surface of Mars. Secondaries often form radial patterns around the impact crater that generated them, allowing researchers to trace them back to their origin.

    Note: this THEMIS visual image has not been radiometrically nor geometrically calibrated for this preliminary release. An empirical correction has been performed to remove instrumental effects. A linear shift has been applied in the cross-track and down-track direction to approximate spacecraft and planetary motion. Fully calibrated and geometrically projected images will be released through the Planetary Data System in accordance with Project policies at a later time.

    NASA's Jet Propulsion Laboratory manages the 2001 Mars Odyssey mission for NASA's Office of Space Science, Washington, D.C. The Thermal Emission Imaging System (THEMIS) was developed by Arizona State University, Tempe, in collaboration with Raytheon Santa Barbara Remote Sensing. The THEMIS investigation is led by Dr. Philip Christensen at Arizona State University. Lockheed Martin Astronautics, Denver, is the prime contractor for the Odyssey project, and developed and built the orbiter. Mission operations are conducted jointly from Lockheed Martin and from JPL, a division of the California Institute of Technology in Pasadena.

    Image information: VIS instrument. Latitude 19.3, Longitude 347.5 East (12.5 West). 19 meter/pixel resolution.

  4. On the helical motif of the complexes created by association of helix-forming schizophyllan (SPG) and helix-forming polythiophene derivatives.

    PubMed

    Haraguchi, Shuichi; Tsuchiya, Youichi; Shiraki, Tomohiro; Sugikawa, Kouta; Sada, Kazuki; Shinkai, Seiji

    2009-10-26

    pi-Conjugated polymers can finely tune their electrical and optical properties in response to their conformational changes. We believe that a deeper understanding of their higher-order structures will stimulate further development of their applications. We had revealed that one helix-forming natural polysaccharide (SPG) and one polythiophene derivative (PT-1) formed a stable one-dimensional complex and in the polythiophene main chain a helical conformation was induced through the dynamic conformational changes. The objective of our present research is to obtain a better mechanistic understanding on the interaction between SPG and polythiophenes. Here we have used particular left- and right-handed helix-forming polythiophene derivatives (D- and L-POWTs, respectively) and studied their influence on the helical motif of the complexes. We observed that SPG interacts with both D- and L-POWTs through their dynamic conformational changes and both D- and L-POWTs form the right-handed co-helical complexes with SPG according to the inherent helical motif of SPG. In addition, it was confirmed that 1) the complexes do not coagulate in aqueous solution, and 2) the exchange in the helical motif can occur only when the polymers experience the denature-renature process. We believe, therefore, that the mechanism of the helical induction of the SPG/POWT complexes is very unique, being different from conventional equilibrium reactions. PMID:19760718

  5. Vibrational analysis of amino acids and short peptides in hydrated media. II. Role of KLLL repeats to induce helical conformations in minimalist LK-peptides.

    PubMed

    Guiffo-Soh, Guy; Hernandez, Belén; Coïc, Yves-Marie; Boukhalfa-Heniche, Fatima-Zohra; Ghomi, Mahmoud

    2007-11-01

    Aqueous solution secondary structures of minimalist LK-peptides, with the generic sequence defined as KLL(KLLL)nKLLK, have been analyzed by means of circular dichroism (CD) and Raman scattering techniques. Our discussion in the present paper is mainly focused on four synthetic peptides (from 5 to 19 amino acids), KLLLK, KLLKLLLKLLK, KLLKLLLKLLLKLLK, and KLLKLLLKLLLKLLLKLLK, corresponding to the repeat unit, and to the peptide chains with the values of n = 1-3, respectively. CD and Raman spectra were analyzed in order to study both structural features of the peptide chains and their capability to form aggregates. On the basis of the obtained results it was concluded that the conformational flexibility of the shortest peptides (5-mer and 11-mer) is high enough to adopt random, beta-type, and helical chains in aqueous solution. However, the 11-mer shows a clear tendency to form beta-strands in phosphate buffer. The conformational equilibrium can be completely shifted to beta-type structures upon increasing ionic strength, i.e., in PBS and tris buffers. This equilibrium can also be shifted toward helical chains in the presence of methanol. Finally, the longest peptides (15-mer and 19-mer) are shown to form alpha-helical chains with an amphipathic character in aqueous solution. The possibility of bundle formation between helical chains is discussed over the temperature-dependent H-D exchange on labile hydrogens and particularly by considering the particular behavior of an intense Raman mode at 1127 cm-1 originating from the leucine residue side chain. The conformational dependence of this mode observed upon selective deuteration has never been documented up to now. PMID:17918991

  6. α-Peptide-Oligourea Chimeras: Stabilization of Short α-Helices by Non-Peptide Helical Foldamers.

    PubMed

    Fremaux, Juliette; Mauran, Laura; Pulka-Ziach, Karolina; Kauffmann, Brice; Odaert, Benoit; Guichard, Gilles

    2015-08-17

    Short α-peptides with less than 10 residues generally display a low propensity to nucleate stable helical conformations. While various strategies to stabilize peptide helices have been previously reported, the ability of non-peptide helical foldamers to stabilize α-helices when fused to short α-peptide segments has not been investigated. Towards this end, structural investigations into a series of chimeric oligomers obtained by joining aliphatic oligoureas to the C- or N-termini of α-peptides are described. All chimeras were found to be fully helical, with as few as 2 (or 3) urea units sufficient to propagate an α-helical conformation in the fused peptide segment. The remarkable compatibility of α-peptides with oligoureas described here, along with the simplicity of the approach, highlights the potential of interfacing natural and non-peptide backbones as a means to further control the behavior of α-peptides. PMID:26136402

  7. Triangular Helical Column for Centrifugal Countercurrent Chromatography.

    PubMed

    Ito, Yoichiro; Yu, Henry

    2009-01-01

    Effective column space and stationary phase retention have been improved by changing the configuration of the helical column originally used for toroidal coil countercurrent chromatography. The use of an equilateral triangular core for the helix column doubles effective column space and retains the stationary phase over 40% of the total column capacity without increasing the column pressure. The present results suggest that the stationary phase retention and the peak resolution will be further improved using new column designs fabricated by a new technology called "laser sintering for rapid prototyping." PMID:20046940

  8. Spin transport in helical biological systems

    SciTech Connect

    Díaz, Elena; Gutierrez, Rafael

    2014-08-20

    Motivated by the recent experimental demonstration of spin selective effects in monolayers of double-stranded DNA oligomers, our work presents a minimal model to describe electron transmission through helical fields. Our model highlight that the lack of inversion symmetry due to the chirality of the potential is a key factor which will lead to a high spin-polarization (SP). We also study the stability of the SP against fluctuations of the electronic structure induced by static disorder affecting the on-site energies. In the energy regions where the spin-filtering occurs, our results remain stable against moderate disorders although the SP is slightly reduced.

  9. Spinor helicity structures in higher spin theories

    NASA Astrophysics Data System (ADS)

    Ananth, Sudarshan

    2012-11-01

    It is shown that the coefficient of the cubic interaction vertex, in higher spin Lagrangians, has a very simple form when written in terms of spinor helicity products. The result for a higher-spin field, of spin λ, is equal to the corresponding Yang-Mills coefficient raised to the power λ. Among other things, this suggests perturbative ties, similar to the KLT relations, between higher spin theories and pure Yang-Mills. This result is obtained in four-dimensional flat spacetime.

  10. Landau theory for helical nematic phases

    NASA Astrophysics Data System (ADS)

    Kats, E. I.; Lebedev, V. V.

    2014-09-01

    We propose Landau phenomenology for the phase transition from the conventional nematic into the conical helical orientationally non-uniform structure recently identified in liquid crystals formed by "banana"-shaped molecules. The mean field predictions are mostly in agreement with experimental data. Based on the analogy with de Gennes model, we argue that fluctuations of the order parameter turn the transition to the first order phase transition rather than continuous one predicted by the mean-field theory. This conclusion is in agreement with experimental observations. We discuss the new Goldstone mode to be observed in the low-temperature phase.

  11. Conceptual Design for Superconducting Planar Helical Undulator

    NASA Astrophysics Data System (ADS)

    Sasaki, Shigemi

    2004-05-01

    A preliminary consideration was made on a short-period superconducting planar helical undulator (SCHU) for circularly polarized radiation. The SCHU consists of coils and iron poles/yokes. There is no magnetic structure in the horizontal plane of the electron orbit. The SCHU would provide the large horizontal aperture needed to allow injection into the storage ring. The expected field strength is at least 30% larger than that by an APPLE-type permanent-magnet device with the same gap and the same period.

  12. Helicon wave excitation with helical antennas

    SciTech Connect

    Light, M.; Chen, F.F.

    1995-04-01

    Components of the wave magnetic field in a helicon discharge have been measured with a single-turn, coaxial magnetic probe. Left- and right-handed helical antennas, as well as plane-polarized antennas, were used; and the results were compared with the field patterns computed for a nonuniform plasma. The results show that the right-hand circularly polarized mode is preferentially excited with all antennas, even those designed to excite the left-hand mode. For right-hand excitation, the radial amplitude profiles are in excellent agreement with computations. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  13. Helical Disruptions in Small Loops of DNA

    NASA Astrophysics Data System (ADS)

    Zoli, Marco

    2015-01-01

    The thermodynamical stability of DNA minicircles is investigated by means of path integral techniques. Hydrogen bonds between base pairs on complementary strands can be broken by thermal fluctuations and temporary fluctuational openings along the double helix are essential to biological functions such as transcription and replication of the genetic information. Helix unwinding and bubble formation patterns are computed in circular sequences with variable radius in order to analyze the interplay between molecule size and appearance of helical disruptions. The latter are found in minicircles with < 100 base pairs and appear as a strategy to soften the stress due to the bending and torsion of the helix.

  14. Influence of Ag+ interaction on 1D droplet array spacing and the repulsive forces between stimuli-responsive nanoemulsion droplets.

    PubMed

    Mahendran, V; Philip, John

    2014-09-01

    This paper reports results on the effect of interaction of Ag(+) on 1D droplet array spacing and the repulsive forces between stimuli-responsive nanoemulsion droplets, stabilized with an anionic surfactant--sodium dodecyl sulfate--and a diblock polymer--poly(vinyl alcohol)-vinyl acetate. The repulsive interaction is probed by measuring the in-situ equilibrium force-distance in the presence of Ag(+) using the magnetic chaining technique. At a constant static magnetic field, emulsion droplets form 1D array that diffract visible light. A large blue-shift in the diffracted light is observed in the presence of interacting Ag(+) because of the reduction in the interdroplet spacing within the 1D array. The in-situ equilibrium force-distance measurement results show that the onset of repulsions and magnitude of repulsive forces are strongly influenced by the presence of Ag(+) in ppb levels. This suggests that the Ag(+) ions screen the surface charges through the formation of both Stern and diffuse electric double layer and produces a dramatic blue-shift in surfactant-stabilized emulsion, whereas a dramatic conformational change in the adsorbed polymer layer causes a reduction in the 1D array spacing in the diblock polymer stabilized emulsion. The force-distance results are compared with the predictions of electrical double-layer and repulsive steric forces. The droplet array shows an excellent selectivity to Ag(+) due to the strong interaction of Ag(+) with the stabilizing moieties at the oil-water interface. The possible mechanisms of interaction of Ag(+) with surfactant and polymer are discussed. The dramatic decrease in the 1D array spacing in the presence of Ag(+) may find promising practical applications in the development of optical sensors for selective detection of cations with ultrahigh sensitivity. PMID:25105903

  15. Electronic transport in single-helical protein molecules: Effects of multiple charge conduction pathways and helical symmetry

    NASA Astrophysics Data System (ADS)

    Kundu, Sourav; Karmakar, S. N.

    2016-07-01

    We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due to existence of both the multiple charge transfer pathways and helical symmetry, the transport properties are quite rigid under influence of environmental fluctuations which indicates that these biomolecules can serve as better alternatives in nanoelectronic devices than its other biological counterparts e.g., single-stranded DNA.

  16. CURRENT AND KINETIC HELICITY OF LONG-LIVED ACTIVITY COMPLEXES

    SciTech Connect

    Komm, Rudolf; Gosain, Sanjay

    2015-01-01

    We study long-lived activity complexes and their current helicity at the solar surface and their kinetic helicity below the surface. The current helicity has been determined from synoptic vector magnetograms from the NSO/SOLIS facility, and the kinetic helicity of subsurface flows has been determined with ring-diagram analysis applied to full-disk Dopplergrams from NSO/GONG and SDO/HMI. Current and kinetic helicity of activity complexes follow the hemispheric helicity rule with mainly positive values (78%; 78%, respectively, with a 95% confidence level of 31%) in the southern hemisphere and negative ones (80%; 93%, respectively, with a 95% confidence level of 22% and 14%, respectively) in the northern hemisphere. The locations with the dominant sign of kinetic helicity derived from Global Oscillation Network Group (GONG) and SDO/HMI data are more organized than those of the secondary sign even if they are not part of an activity complex, while locations with the secondary sign are more fragmented. This is the case for both hemispheres even for the northern one where it is not as obvious visually due to the large amount of magnetic activity present as compared to the southern hemisphere. The current helicity shows a similar behavior. The dominant sign of current helicity is the same as that of kinetic helicity for the majority of the activity complexes (83% with a 95% confidence level of 15%). During the 24 Carrington rotations analyzed here, there is at least one longitude in each hemisphere where activity complexes occur repeatedly throughout the epoch. These ''active'' longitudes are identifiable as locations of strong current and kinetic helicity of the same sign.

  17. Transport of helical gyrotactic swimmers in channels

    NASA Astrophysics Data System (ADS)

    Alqarni, M. S.; Bearon, R. N.

    2016-07-01

    We develop a mechanistic model that describes the transport of gyrotactic cells with propulsive force and propulsive torque that are not parallel. In sufficiently weak shear this yields helical swimming trajectories, whereas in stronger shear cells can attain a stable equilibrium orientation. We obtain the stable equilibrium solution for cell orientation as a function of the shear strength and determine the feasibility region for equilibrium solutions. We compute numerically the trajectories of cells in two dimensional vertical channel flow where the shear is non-uniform. Depending on the parameter values, we show that helical swimmers may display classical gyrotactic focussing towards the centre of the channel or can display a new phenomenon of focussing away from the centre of the channel. This result can be explained by consideration of the equilibrium solution for cell orientation. In this study we consider only dilute suspensions where there is no feedback from cell swimming on the hydrodynamics, and both cell-wall and cell-cell interactions are neglected.

  18. Helicity of the Solar Magnetic Field

    NASA Astrophysics Data System (ADS)

    Tiwari, Sanjiv Kumar

    2009-11-01

    Magnetic helicity is a physical quantity that measures the degree of linkages and twistedness in the field lines. It is given by a volume integral over the scalar product of magnetic field B and its vector potential A. Direct computation of magnetic helicity in the solar atmosphere is not possible due to two reasons. First, we do not have the observations at different heights in the solar atmosphere to compute the volume integral. Second, the vector potential A is non-unique owing to gauge variance. Many researchers incorrectly inferred twist, a component of magnetic helicity, from the force-free parameter α. We clarified the physical meaning of α and its relation with the magnetic helicity. Also, a direct method is proposed for the computation of global α values of sunspots. An analytical bipole was generated to study the effect of polarimetric noise on the estimation of various magnetic parameters. We find that the effect of polarimetric noise, present in the recent vector magnetograms e.g., from Hinode (Solar Optical Telescope/Spectro- Polarimeter (SOT/SP)), on the magnetic parameters like α and magnetic energy, is negligible. We examined the fine structures of local current and α in the sunspots. Local α patches of opposite signs are present in the umbra of each sunspot. The amplitude of the spatial variation of local α in the umbra is typically of the order of the global α of the sunspot. We find that the local α and current are distributed as alternately positive and negative filaments in the penumbra. The amplitude of azimuthal variation of the local α in the penumbra is approximately an order of magnitude larger than that in the umbra. The contributions of the local positive and negative currents and α in the penumbra cancel each other giving almost no contribution for their global values for whole sunspot. We have introduced the concept of signed shear angle (SSA) for sunspots and establish its importance for non force

  19. Quantification of a Helical Origami Fold

    NASA Astrophysics Data System (ADS)

    Dai, Eric; Han, Xiaomin; Chen, Zi

    2015-03-01

    Origami, the Japanese art of paper folding, is traditionally viewed as an amusing pastime and medium of artistic expression. However, in recent years, origami has served as a source of inspiration for innovations in science and engineering. Here, we present the geometric and mechanical properties of a twisting origami fold. The origami structure created by the fold exhibits several interesting properties, including rigid foldibility, local bistability and finely tunable helical coiling, with control over pitch, radius and handedness of the helix. In addition, the pattern generated by the fold closely mimics the twist buckling patterns shown by thin materials, for example, a mobius strip. We use six parameters of the twisting origami pattern to generate a fully tunable graphical model of the fold. Finally, we present a mathematical model of the local bistability of the twisting origami fold. Our study elucidates the mechanisms behind the helical coiling and local bistability of the twisting origami fold, with potential applications in robotics and deployable structures. Acknowledgment to Branco Weiss Fellowship for funding.

  20. Determining How Magnetic Helicity Injection Really Works

    SciTech Connect

    Paul M. Bellan

    2001-10-09

    OAK-B135 The goal of the Caltech program is to determine how helicity injection works by investigating the actual dynamics and topological evolution associated with magnetic relaxation. A new coaxial helicity injection source has been constructed and brought into operation. The key feature of this source is that it has maximum geometric simplicity. Besides being important for fusion research, this work also has astrophysical implications. Photos obtained using high-speed cameras show a clear sequence of events in the formation process. In particular, they show initial merging/reconnection processes, jet-like expansion, kinking, and separation of the plasma from the source. Various diagnostics have been developed, including laser induced fluorescence and soft x-ray detection using high speed diodes. Gas valves have been improved and a patent disclosure relating to puffed gas valves has been filed. Presentations on this work have been given in the form of invited talks at several university physics departments that were previously unfamiliar with laboratory plasma experiments.

  1. Flow around a helically twisted elliptic cylinder

    NASA Astrophysics Data System (ADS)

    Kim, Woojin; Lee, Jungil; Choi, Haecheon

    2016-05-01

    In the present study, we conduct unsteady three-dimensional simulations of flows around a helically twisted elliptic (HTE) cylinder at the Reynolds numbers of 100 and 3900, based on the free-stream velocity and square root of the product of the lengths of its major and minor axes. A parametric study is conducted for Re = 100 by varying the aspect ratio (AR) of the elliptic cross section and the helical spanwise wavelength (λ). Depending on the values of AR and λ, the flow in the wake contains the characteristic wavelengths of λ, 2λ, 6λ, or even longer than 60λ, showing a wide diversity of flows in the wake due to the shape change. The drag on the optimal (i.e., having lowest drag) HTE cylinder (AR = 1.3 and λ = 3.5d) is lower by 18% than that of the circular cylinder, and its lift fluctuations are zero owing to complete suppression of vortex shedding in the wake. This optimal HTE configuration reduces the drag by 23% for Re = 3900 where the wake is turbulent, showing that the HTE cylinder reduces the mean drag and lift fluctuations for both laminar and turbulent flows.

  2. Structural models for non-helical DNA.

    PubMed Central

    Yagil, G; Sussman, J L

    1986-01-01

    Structural modelling techniques are employed to explore the energetic requirements for the transformation of classical B DNA into unwound yet double-stranded DNA structures. Structural idealization using CORELS computer program of Sussman et al. followed by energy minimization using the EREF program of Levitt, leads to two regular non-helical models. In both models, the bases are conventionally paired and stacked, yet there is no net rotation between successive base pairs. One model, N1, has a 1-bp repeating unit; the second, N2, has a 2-bp repeating unit. The dihedral angles of the backbone all have values found either in the B or the Z form of DNA, except for the P-O5'-C5'-C4' angle, which is in the unprecedented g+ or g- domains. The energy difference found between the two N form models and B form DNA are 6.6 and 3.4 kcal/mol/nucleotide for N1 and N2 respectively. These relatively low energy differences encourage the idea that non-helical forms of DNA may contribute to the alternate DNA structures found in S1 nuclease sensitive and other regulatory regions of active genes. PMID:3017709

  3. Cosmic acceleration and the helicity-0 graviton

    SciTech Connect

    Rham, Claudia de; Heisenberg, Lavinia; Gabadadze, Gregory; Pirtskhalava, David

    2011-05-15

    We explore cosmology in the decoupling limit of a nonlinear covariant extension of Fierz-Pauli massive gravity obtained recently in arXiv:1007.0443. In this limit the theory is a scalar-tensor model of a unique form defined by symmetries. We find that it admits a self-accelerated solution, with the Hubble parameter set by the graviton mass. The negative pressure causing the acceleration is due to a condensate of the helicity-0 component of the massive graviton, and the background evolution, in the approximation used, is indistinguishable from the {Lambda}CDM model. Fluctuations about the self-accelerated background are stable for a certain range of parameters involved. Most surprisingly, the fluctuation of the helicity-0 field above its background decouples from an arbitrary source in the linearized theory. We also show how massive gravity can remarkably screen an arbitrarily large cosmological constant in the decoupling limit, while evading issues with ghosts. The obtained static solution is stable against small perturbations, suggesting that the degravitation of the vacuum energy is possible in the full theory. Interestingly, however, this mechanism postpones the Vainshtein effect to shorter distance scales. Hence, fifth force measurements severely constrain the value of the cosmological constant that can be neutralized, making this scheme phenomenologically not viable for solving the old cosmological constant problem. We briefly speculate on a possible way out of this issue.

  4. Single amino acid mutation in alpha-helical peptide affect second harmonic generation hyperpolarizability

    NASA Astrophysics Data System (ADS)

    Wei, Jing; Wang, Jin-Yun; Zhang, Min-Yi; Chai, Guo-Liang; Lin, Chen-Sheng; Cheng, Wen-Dan

    2013-01-01

    We investigate the effect of side chain on the first-order hyperpolarizability in α-helical polyalanine peptide with the 10th alanine mutation (Acetyl(ala)9X(ala)7NH2). Structures of various substituted peptides are optimized by ONIOM (DFT: AM1) scheme, and then linear and nonlinear optical properties are calculated by SOS//CIS/6-31G∗ method. The polarizability and first-order hyperpolarizability increase obviously only when 'X' represents phenylalanine, tyrosine and tryptophan. We also discuss the origin of nonlinear optical response and determine what caused the increase of first-order hyperpolarizability. Our results strongly suggest that side chains containing benzene, phenol and indole have important contributions to first-order hyperpolarizability.

  5. Switchable enantioseparation based on macromolecular memory of a helical polyacetylene in the solid state

    NASA Astrophysics Data System (ADS)

    Shimomura, Kouhei; Ikai, Tomoyuki; Kanoh, Shigeyoshi; Yashima, Eiji; Maeda, Katsuhiro

    2014-05-01

    In the chromatographic separation of enantiomers the order of elution is determined by the strength of diasteromeric interactions between the components of the mixture and a chiral stationary phase. For analytical purposes, it is ideal to have the minor component elute first, whereas in the preparative mode a faster elution of the major component is desirable. Here we describe a stationary phase constructed from a polyacetylene that bears 2,2‧-bisphenol-derived side chains in which chirality can be switched in the solid state prior to use. Both the macromolecular helicity of the polymer backbone and the axial chirality of the side chains can be switched in the solid state by interaction with a chiral alcohol, but importantly are maintained after removal of the chiral alcohol because of a memory effect. The chiral stationary phase thus prepared was used to separate the enantiomers of trans-stilbene oxide with the enantiomer elution order determined by the preseparation treatment.

  6. Crystal Structures of Lys-63-linked tri- and di-ubiquitin Reveal a Highly Extended Chain Architecture

    SciTech Connect

    Weeks, S.; Grasty, K; Hernandez-Cuebas, L; Loll, P

    2009-01-01

    The covalent attachment of different types of poly-ubiquitin chains signal different outcomes for the proteins so targeted. For example, a protein modified with Lys-48-linked poly-ubiquitin chains is targeted for proteasomal degradation, whereas Lys-63-linked chains encode nondegradative signals. The structural features that enable these different types of chains to encode different signals have not yet been fully elucidated. We report here the X-ray crystal structures of Lys-63-linked tri- and di-ubiquitin at resolutions of 2.3 and 1.9 {angstrom}, respectively. The tri- and di-ubiquitin species adopt essentially identical structures. In both instances, the ubiquitin chain assumes a highly extended conformation with a left-handed helical twist; the helical chain contains four ubiquitin monomers per turn and has a repeat length of {approx}110 {angstrom}. Interestingly, Lys-48 ubiquitin chains also adopt a left-handed helical structure with a similar repeat length. However, the Lys-63 architecture is much more open than that of Lys-48 chains and exposes much more of the ubiquitin surface for potential recognition events. These new crystal structures are consistent with the results of solution studies of Lys-63 chain conformation, and reveal the structural basis for differential recognition of Lys-63 versus Lys-48 chains.

  7. Dependence on the dielectric model and pH in a synthetic helical peptide studied by Monte Carlo simulated annealing.

    PubMed

    Okamoto, Y

    1994-04-01

    Monte Carlo simulated annealing is applied to the tertiary structure prediction of a 17-residue synthetic peptide, which is known by experiment to exhibit high helical content at low pH. Two dielectric models are considered: sigmoidal distance-dependent dielectric function and a constant dielectric function (epsilon = 2). Starting from completely random initial conformations, our simulations for both dielectric models at low pH gave many helical conformations. The obtained low-energy conformations are compared with the nuclear Overhauser effect spectroscopy cross-peak data for both main chain and side chains, and it is shown that the results for the sigmoidal dielectric function are in remarkable agreement with the experimental data. The results predict the existence of two disjoint helices around residues 5-9 and 11-16, while nmr experiments imply significant alpha-helix content between residues 5 and 14. Simulations with high pH, on the other hand, hardly gave a helical conformation, which is also in accord with the experiment. These findings indicate that when side chains are charged, electrostatic interactions due to these changes play a major role in the helix stability. Our results are compared with the previous 500 ps molecular dynamics simulations of the same peptide. It is argued that simulated annealing is superior to molecular dynamics in two respects: (1) direct folding of alpha-helix from completely random initial conformations is possible for the former, whereas only unfolding of an alpha-helix can be studied by the latter; (2) while both methods predict high helix content for low pH, the results for high pH agree with experiment (low helix content) only for the former method. PMID:8186363

  8. 3D/1D Analysis of ICRF Antennas

    NASA Astrophysics Data System (ADS)

    Maggiora, Riccardo; Lancellotti, Vito; Vecchi, Giuseppe

    2003-10-01

    An innovative tool has been realized for the 3D/1D simulation of Ion Cyclotron Radio Frequency (ICRF), i.e. accounting for antennas in a realistic 3D geometry and with an accurate 1D plasma model. The approach to the problem is based on an integral-equation formulation for the self-consistent evaluation of the current distribution on the conductors. The environment has been subdivided in two coupled region: the plasma region and the vacuum region. The two problems are linked by means of a magnetic current (electric field) distribution on the aperture between the two regions. In the vacuum region all the calculations are executed in the spatial domain while in the plasma region an extraction in the spectral domain of some integrals is employed that permits to significantly reduce the integration support and to obtain a high numerical efficiency leading to the practical possibility of using a large number of sub-domain (rectangular or triangular) basis functions on each solid conductor of the system. The plasma enters the formalism of the plasma region via a surface impedance matrix; for this reason any plasma model can be used; at present the FELICE code has been adopted, that affords density and temperature profiles, and FLR effects. The source term directly models the TEM mode of the coax feeding the antenna and the current in the coax is determined self-consistently, giving the input impedance/admittance of the antenna itself. Calculation of field distributions (both magnetic and electric), useful for sheath considerations, is included. This tool has been implemented in a suite, called TOPICA, that is modular and applicable to ICRF antenna structures of arbitrary shape. This new simulation tool can assist during the detailed design phase and for this reason can be considered a "Virtual Prototyping Laboratory" (VPL). The TOPICA suite has been tested against assessed codes and against measurements and data of mock-ups and existing antennas. The VPL is being used in

  9. Evidence of α-helical coiled coils and β-sheets in hornet silk.

    PubMed

    Kameda, Tsunenori; Nemoto, Takashi; Ogawa, Tetsuya; Tosaka, Masatoshi; Kurata, Hiroki; Schaper, Andreas K

    2014-03-01

    α-Helical coiled coil and β-sheet complexes are essential structural building elements of silk proteins produced by different species of the Hymenoptera. Beside X-ray scattering at wide and small angles we applied cryo-electron diffraction and microscopy to demonstrate the presence and the details of such structures in silk of the giant hornet Vespa mandarinia japonica. Our studies on the assembly of the fibrous silk proteins and their internal organization in relation to the primary chain structure suggest a 172 Å pitch supercoil consisting of four intertwined alanine-rich α-helical strands. The axial periodicity may adopt even multiples of the pitch value. Coiled coil motifs form the largest portion of the hornet silk structure and are aligned nearly parallel to the cocoon fiber axis in the same way as the membrane-like parts of the cocoon are molecularly orientated in the spinning direction. Supercoils were found to be associated with β-crystals, predominantly localized in the l-serine-rich chain sequences terminating each of the four predominant silk proteins. Such β-sheet blocks are considered resulting from transformation of random coil molecular sequences due to the action of elongational forces during the spinning process. PMID:24345346

  10. Signal transmission through the CXC chemokine receptor 4 (CXCR4) transmembrane helices.

    PubMed

    Wescott, Melanie P; Kufareva, Irina; Paes, Cheryl; Goodman, Jason R; Thaker, Yana; Puffer, Bridget A; Berdougo, Eli; Rucker, Joseph B; Handel, Tracy M; Doranz, Benjamin J

    2016-08-30

    The atomic-level mechanisms by which G protein-coupled receptors (GPCRs) transmit extracellular ligand binding events through their transmembrane helices to activate intracellular G proteins remain unclear. Using a comprehensive library of mutations covering all 352 residues of the GPCR CXC chemokine receptor 4 (CXCR4), we identified 41 amino acids that are required for signaling induced by the chemokine ligand CXCL12 (stromal cell-derived factor 1). CXCR4 variants with each of these mutations do not signal properly but remain folded, based on receptor surface trafficking, reactivity to conformationally sensitive monoclonal antibodies, and ligand binding. When visualized on the structure of CXCR4, the majority of these residues form a continuous intramolecular signaling chain through the transmembrane helices; this chain connects chemokine binding residues on the extracellular side of CXCR4 to G protein-coupling residues on its intracellular side. Integrated into a cohesive model of signal transmission, these CXCR4 residues cluster into five functional groups that mediate (i) chemokine engagement, (ii) signal initiation, (iii) signal propagation, (iv) microswitch activation, and (v) G protein coupling. Propagation of the signal passes through a "hydrophobic bridge" on helix VI that coordinates with nearly every known GPCR signaling motif. Our results agree with known conserved mechanisms of GPCR activation and significantly expand on understanding the structural principles of CXCR4 signaling. PMID:27543332

  11. Dynamic decoupling in the presence of 1D random walk

    NASA Astrophysics Data System (ADS)

    Chakrabarti, Arnab; Chakraborty, Ipsita; Bhattacharyya, Rangeet

    2016-05-01

    In the recent past, many dynamic decoupling sequences have been proposed for the suppression of decoherence of spins connected to thermal baths of various natures. Dynamic decoupling schemes for suppressing decoherence due to Gaussian diffusion have also been developed. In this work, we study the relative performances of dynamic decoupling schemes in the presence of a non-stationary Gaussian noise such as a 1D random walk. Frequency domain analysis is not suitable to determine the performances of various dynamic decoupling schemes in suppressing decoherence due to such a process. Thus, in this work, we follow a time domain calculation to arrive at the following conclusions: in the presence of such a noise, we show that (i) the traditional Carr–Purcell–Meiboom–Gill (CPMG) sequence outperforms Uhrig’s dynamic decoupling scheme, (ii) CPMG remains the optimal sequence for suppression of decoherence due to random walk in the presence of an external field gradient. Later, the theoretical predictions are experimentally verified by using nuclear magnetic resonance spectroscopy on spin 1/2 particles diffusing in a liquid medium.

  12. 1-D Numerical Analysis of RBCC Engine Performance

    NASA Technical Reports Server (NTRS)

    Han, Samuel S.

    1998-01-01

    An RBCC engine combines air breathing and rocket engines into a single engine to increase the specific impulse over an entire flight trajectory. Considerable research pertaining to RBCC propulsion was performed during the 1960's and these engines were revisited recently as a candidate propulsion system for either a single-stage-to-orbit (SSTO) or two-stage-to-orbit (TSTO) launch vehicle. There are a variety of RBCC configurations that had been evaluated and new designs are currently under development. However, the basic configuration of all RBCC systems is built around the ejector scramjet engine originally developed for the hypersonic airplane. In this configuration, a rocket engine plays as an ejector in the air-augmented initial acceleration mode, as a fuel injector in scramjet mode and the rocket in all rocket mode for orbital insertion. Computational fluid dynamics (CFD) is a useful tool for the analysis of complex transport processes in various components in RBCC propulsion systems. The objective of the present research was to develop a transient 1-D numerical model that could be used to predict flow behavior throughout a generic RBCC engine following a flight path.

  13. Spectral functions of 1D Peierls and Mott insulators

    NASA Astrophysics Data System (ADS)

    Voit, Johannes

    1998-03-01

    We construct the spectral function of the Luther-Emery model which describes one-dimensional Peierls and Mott insulators with a spin resp. charge gap, using symmetries and known limits and equivalences to other models. For the Peierls insulator, we find a true singularity with interaction dependent exponents on the gapped spin dispersion and a finite maximum depending on the magnitude of the spin gap, on a charge dispersion shifted by Δ_σ, as well as strong shadow bands with the same functional form as the main bands. For 1D Mott insulators, one or two singularities with universal inverse-square-root singularities are found depending on whether the charge velocity is larger or smaller than the spin velocity. The shadow band has a single singularity on the renormalized charge dispersion. These results could apply to the description of photoemission experiments in systems like K_0.3 Mo O_3, TTF-TCNQ, or Sr Cu O_2.

  14. 1D X-ray Beam Compressing Monochromators

    SciTech Connect

    Korytar, D.; Dobrocka, E.; Konopka, P.; Zaprazny, Z.; Ferrari, C.; Mikulik, P.; Vagovic, P.; Ac, V.; Erko, A.; Abrosimov, N.

    2010-04-06

    A total beam compression of 5 and 10 corresponding to the asymmetry angles of 9 deg. and 12 deg. is achieved with V-5 and V-10 monochromators, respectively, in standard single crystal pure germanium (220) X-ray beam compressing (V-shaped) monochromators for CuKalpha{sub 1} radiation. A higher 1D compression of X-ray beam is possible using larger angles of asymmetry, however it is achieved at the expense of the total intensity, which is decreased due to the refraction effect. To increase the monochromator intensity, several ways are considered both theoretically and experimentally. Linearly graded germanium rich Ge{sub x}Si{sub (1-x)} single crystal was used to prepare a V-21 single crystal monochromator with 15 deg. asymmetry angles (compression factor of 21). Its temperature gradient version is discussed for CuKalpha{sub 1} radiation. X-ray diffraction measurements on the graded GeSi monochromator showed more than 3-times higher intensity at the output compared with that of a pure Ge monochromator.

  15. Graphs on uniform points in [0,1]d

    NASA Astrophysics Data System (ADS)

    Appel, Martin J. B.; Russo, Ralph P.; Yang, King J.

    1995-06-01

    Statistical problems in pattern or structure recognition for a random multidimensional point set may be addressed by variations on the random graph model of Erdos and Renyui. The imposition of graph structure with a variable edge criterion on a large random point set allows a search for signature quantities or behavior under the given distributional hypothesis. The work is motivated by the question of how to make statistical inferences from sensed mine field data. This article describes recent results obtained in the following special cases. On independent random points U1,...,Un distributed uniformly on [0,1]d, a random graph Gn(x) is constructed in which two distinct such points are joined by an edge if the l(infinity )-distance between them is at most some prescribed value 0 = 2.

  16. 1-D Modeling of Massive Particle Injection (MPI) in Tokamaks

    NASA Astrophysics Data System (ADS)

    Wu, W.; Parks, P. B.; Izzo, V. A.

    2008-11-01

    A 1-D Fast Current Quench (FCQ) model is developed to study current evolution and runaway electron suppression under massive density increase. The model consists of coupled toroidal electric field and energy equations, and it is solved numerically for DIII-D and ITER operating conditions. Simulation results suggest that fast shutdown by D2 liquid jet/pellet injection is in principle achievable for the desired plasma cooling time (˜15 ms for DIII-D and ˜50 ms for ITER) under ˜150x or higher densification. The current density and pressure profile are practically unaltered during the initial phase of jet propagation when dilution cooling dominates. With subsequent radiation cooling, the densified discharge enters the strongly collisional regime where Pfirsch-Schluter thermal diffusion can inhibit current contraction on the magnetic axis. Often the 1/1 kink instability, addressed by Kadomtsev's magnetic reconnection model, can be prevented. Our results are compared with NIMROD simulations in which the plasma is suddenly densified by ˜100x and experiences instantaneous dilution cooling, allowing for use of actual (lower) Lundquist numbers.

  17. Effective-range signatures in quasi-1D matter waves: sound velocity and solitons

    NASA Astrophysics Data System (ADS)

    Sgarlata, F.; Mazzarella, G.; Salasnich, L.

    2015-06-01

    We investigate ultracold and dilute bosonic atoms under strong transverse harmonic confinement using a 1D modified Gross-Pitaevskii equation (1D MGPE), which accounts for the energy dependence of the two-body scattering amplitude within an effective-range expansion. We study sound waves and solitons of the quasi-1D system, comparing the 1D MGPE results with the 1D GPE ones. We find that when the finite-size nature of the interaction is taken into account, the speed of sound and the density profiles of both dark and bright solitons show relevant quantitative changes with respect to predictions given by the standard 1D GPE.

  18. Manifestation of helicity in one-dimensional iodobismuthate.

    PubMed

    Pandey, Souvik; Andrews, Alex P; Venugopal, Ajay

    2016-06-01

    We report here, the first example of an inorganic-organic hybrid material incorporating a helical iodobismuthate [BiI4]∞ templated by 2,6-diisopropylanilinium cations. The realisation of the helical iodobismuthate opens up the possibility of a wide range of physical properties among hybrid materials. PMID:27163408

  19. Numerical Simulations of Helicity Condensation in the Solar Corona

    NASA Technical Reports Server (NTRS)

    Zhao, L.; DeVore, C. R.; Antiochos, S. K.; Zurbuchen, T. H.

    2015-01-01

    The helicity condensation model has been proposed by Antiochos (2013) to explain the observed smoothness of coronal loops and the observed buildup of magnetic shear at filament channels. The basic hypothesis of the model is that magnetic reconnection in the corona causes the magnetic stress injected by photospheric motions to collect only at those special locations where prominences form. In this work we present the first detailed quantitative MHD simulations of the reconnection evolution proposed by the helicity condensation model. We use the well-known ansatz of modeling the closed corona as an initially uniform field between two horizontal photospheric plates. The system is driven by applying photospheric rotational flows that inject magnetic helicity into the system. The flows are confined to a finite region on the photosphere so as to mimic the finite flux system of, for example, a bipolar active region. The calculations demonstrate that, contrary to common belief, coronal loops having opposite helicity do not reconnect, whereas loops having the same sense of helicity do reconnect. Furthermore, we find that for a given amount of helicity injected into the corona, the evolution of the magnetic shear is insensitive to whether the pattern of driving photospheric motions is fixed or quasi-random. In all cases, the shear propagates via reconnection to the boundary of the flow region while the total magnetic helicity is conserved, as predicted by the model. We discuss the implications of our results for solar observations and for future, more realistic simulations of the helicity condensation process.

  20. Patterned helical metallic ribbon for continuous edge winding applications

    DOEpatents

    Liebermann, Howard H.; Frischmann, Peter G.; Rosenberry, Jr., George M.

    1983-04-19

    Metallic ribbon having cutout patterns therein is provided in continuous helical form. The cutout patterns may be situated to intersect either or both of the ribbon edges or may be situated entirely within the ribbon. The helical ribbon with the cutout patterns may additionally have a nesting, or self-stacking, feature.

  1. The magnetic helicity spectrum from solar vector magnetograms

    NASA Astrophysics Data System (ADS)

    Brandenburg, Axel; Zhang, Hongqi; Sokoloff, Dmitry

    2016-05-01

    The gauge-invariant (or relative) magnetic helicity is often measured to characterize the degree of magnetic complexity of active regions. However, magnetic helicity is expected to have different signs on different length scales that can be identified with the large- and small-scale fields used in dynamo theory. To address this, it is important to determine magnetic helicity spectra as functions of wavenumber. These spectra are defined such that the integral over all wavenumbers gives the usual magnetic helicity density in a particular patch of interest. Using vector magnetograms from the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory for active region NOAA 11515, which was on the southern hemisphere, we show that the magnetic helicity spectrum has positive sign on scales below 30 Mm, but negative sign on larger scales. This active region was rather complex and its magnetic helicity was within 26% of its theoretical maximum value. This is much more than that of NOAA 11158, which was also rather complex, but only within 5% of its theoretical maximum value. Since the contribution of larger length scales turned out to be important in the case of NOAA 11515, its total magnetic helicity is dominated by the negative values from large length scales, which explains the unusual sign for the southern hemisphere. Measuring magnetic helicity spectra with DKIST may become an important tool to learn about the workings of the underlying dynamo.

  2. Helical channel design and technology for cooling of muon beams

    SciTech Connect

    Yonehara, K; Derbenev, Y.S.; Johnson, R.P.; /MUONS Inc., Batavia

    2010-08-01

    Novel magnetic helical channel designs for capture and cooling of bright muon beams are being developed using numerical simulations based on new inventions such as helical solenoid (HS) magnets and hydrogen-pressurized RF (HPRF) cavities. We are close to the factor of a million six-dimensional phase space (6D) reduction needed for muon colliders. Recent experimental and simulation results are presented.

  3. Helical dipole magnets for polarized protons in RHIC

    SciTech Connect

    Syphers, M.; Courant, E.; Fischer, W.

    1997-07-01

    Superconducting helical dipole magnets will be used in the Brookhaven Relativistic Heavy Ion Collider (RHIC) to maintain polarization of proton beams and to perform localized spin rotations at the two major experimental detector regions. Requirements for the helical dipole system are discussed, and magnet prototype work is reported.

  4. Helical Channel Design and Technology for Cooling of Muon Beams

    NASA Astrophysics Data System (ADS)

    Yonehara, K.; Derbenev, Y. S.; Johnson, R. P.

    2010-11-01

    Novel magnetic helical channel designs for capture and cooling of bright muon beams are being developed using numerical simulations based on new inventions such as helical solenoid (HS) magnets and hydrogen-pressurized RF (HPRF) cavities. We are close to the factor of a million six-dimensional phase space (6D) reduction needed for muon colliders. Recent experimental and simulation results are presented.

  5. Experimental investigation of solar powered diaphragm and helical pumps

    Technology Transfer Automated Retrieval System (TEKTRAN)

    For several years, many types of solar powered water pumping systems were evaluated, and in this paper, diaphragm and helical solar photovoltaic (PV) powered water pumping systems are discussed. Data were collected on diaphragm and helical pumps which were powered by different solar PV arrays at mul...

  6. Helical Channel Design and Technology for Cooling of Muon Beams

    SciTech Connect

    Yonehara, K.; Derbenev, Y. S.; Johnson, R. P.

    2010-11-04

    Novel magnetic helical channel designs for capture and cooling of bright muon beams are being developed using numerical simulations based on new inventions such as helical solenoid (HS) magnets and hydrogen-pressurized RF (HPRF) cavities. We are close to the factor of a million six-dimensional phase space (6D) reduction needed for muon colliders. Recent experimental and simulation results are presented.

  7. Mechanical properties of carbon nanotube ropes with hierarchical helical structures

    NASA Astrophysics Data System (ADS)

    Zhao, Zi-Long; Zhao, Hong-Ping; Wang, Jian-Shan; Zhang, Zhong; Feng, Xi-Qiao

    2014-11-01

    Hierarchical helical structures widely exist in both artificial and biological materials. Such nanomaterials as carbon nanotube ropes with hierarchical helical structures hold a promise for potential applications, for instance, in aerospace and medical engineering. In the present paper, a bottom-up theoretical model is established to investigate the mechanical properties of this kind of novel nanomaterials. The geometry of a rope with a hierarchy of chirality is first formulated. On the basis of the analysis of the internal forces and deformations of a single helical ply, a theoretical model is provided to predict the mechanical responses of multi-level helical materials. The effect of hierarchical helical structures is revealed by comparing the properties between a carbon nanotube rope with two-level helical structure and its counterpart bundle consisting of straight carbon nanotubes. The dependence of the mechanical properties of materials on the initial helical angles, fiber numbers, and handednesses at different structural levels are examined. Carbon nanotube ropes are found with higher deformation ability and elastic property which can be easily tuned via their microstructural parameters. This work helps understand the behavior of chiral materials and also provides inspirations for optimal design of advanced nanomaterials with hierarchical helical structures.

  8. Hierarchically controlled helical graphite films prepared from iodine-doped helical polyacetylene films using morphology-retaining carbonization.

    PubMed

    Matsushita, Satoshi; Kyotani, Mutsumasa; Akagi, Kazuo

    2011-11-01

    One-handed helical graphite films with a hierarchically controlled morphology were prepared from iodine-doped helical polyacetylene (H-PA) films using the recently developed morphology-retaining carbonization method. Results from scanning electron microscopy indicate that the hierarchical helical morphology of the H-PA film remains unchanged even after carbonization at 800 °C. The weight loss of the film due to carbonization was very small; only 10-29% of the weight of the film before doping was lost. Furthermore, the graphite film prepared by subsequent heating at 2600 °C retained the same morphology as that of the original H-PA film and that of the helical carbon film prepared at 800 °C. The screwed direction, twisted degree, and vertical or horizontal alignment of the helical graphite film were well controlled by changing the helical sense, helical pitch, and orientation state of the chiral nematic liquid crystal (N*-LC) used as an asymmetric LC reaction field. X-ray diffraction and Raman scattering measurements showed that graphitic crystallization proceeds in the carbon film during heat treatment at 2600 °C. Transmission electron microscopy measurements indicate that ultrasonication of the helical graphite film in ethanol for several hours gives rise to a single helical graphite fibril. The profound potentiality of the present graphite films is exemplified in their electrical properties. The horizontally aligned helical graphite film exhibits an enhancement in electrical conductivity and an evolution of electrical anisotropy in which conductivity parallel to the helical axis of the fibril bundle is higher than that perpendicular to the axis. PMID:21970653

  9. On the viscosity influence on a helical vortex flament evolution

    NASA Astrophysics Data System (ADS)

    Agafontseva, M. V.; Kuibin, P. A.

    2015-01-01

    Helical vortices whose parameters have a strong influence on the efficiency of the apparatus is often occur in technical devices using swirling flow (cyclones, separators, etc.). To date the internal structure of such vortices is poorly understood. In [1] a model of helical vortex with uniform vorticity distribution in the core is proposed. Vortices arising in real flow always have a smooth vorticity distribution due to the viscosity action. The problem on steady moving helical vortices with the vortex core of small size in an inviscid fluid was solved in [2]. The non-orthogonal `helical' coordinate system was introduced that allowed author to reduce the problem to two dimensional one. However, the velocity of the vortex motion was written only in the form of a quadratures computation of which is difficult. This paper presents first attempt for research on the diffusion and dynamics of a viscous helical vortex.

  10. Hierarchical Helical Order in the Twisted Growth of Plant Organs

    NASA Astrophysics Data System (ADS)

    Wada, Hirofumi

    2012-09-01

    The molecular and cellular basis of left-right asymmetry in plant morphogenesis is a fundamental issue in biology. A rapidly elongating root or hypocotyl of twisting mutants of Arabidopsis thaliana exhibits a helical growth with a handedness opposite to that of the underlying cortical microtubule arrays in epidermal cells. However, how such a hierarchical helical order emerges is currently unknown. We propose a model for investigating macroscopic chiral asymmetry in Arabidopsis mutants. Our elastic model suggests that the helical pattern observed is a direct consequence of the simultaneous presence of anisotropic growth and tilting of cortical microtubule arrays. We predict that the root helical pitch angle is a function of the microtubule helical angle and elastic moduli of the tissues. The proposed model is versatile and is potentially important for other biological systems ranging from protein fibrous structures to tree trunks.

  11. Determining how magnetic helicity injection really works. Annual progress report

    SciTech Connect

    Bellan, P.M.

    1998-10-21

    Magnetic helicity injection is the essential process underlying both spheromak formation and helicity injection toroidal current drive in tokamaks (e.g., HIT and NSTX). The dynamical details of the helicity injection process are poorly understood because existing models avoid a dynamic description. In particular, Taylor relaxation, the main model motivating helicity injection efforts, is an argument that predicts the state to which a turbulent magnetic configuration relaxes after all dynamics are over. The goal of the Caltech experiment is to investigate the actual dynamics and topological evolution associated with relaxation and so determine how helicity injection really works. Although the global relaxation model (i.e., Taylor model) typically invokes axisymmetry, simple physical arguments (Cowling`s theorem) show that the detailed dynamics must involve topologically complex, non-axisymmetric processes. Progress for this project is given here.

  12. Hierarchically arranged helical fibre actuators driven by solvents and vapours

    NASA Astrophysics Data System (ADS)

    Chen, Peining; Xu, Yifan; He, Sisi; Sun, Xuemei; Pan, Shaowu; Deng, Jue; Chen, Daoyong; Peng, Huisheng

    2015-12-01

    Mechanical responsiveness in many plants is produced by helical organizations of cellulose microfibrils. However, simple mimicry of these naturally occurring helical structures does not produce artificial materials with the desired tunable actuations. Here, we show that actuating fibres that respond to solvent and vapour stimuli can be created through the hierarchical and helical assembly of aligned carbon nanotubes. Primary fibres consisting of helical assemblies of multiwalled carbon nanotubes are twisted together to form the helical actuating fibres. The nanoscale gaps between the nanotubes and micrometre-scale gaps among the primary fibres contribute to the rapid response and large actuation stroke of the actuating fibres. The compact coils allow the actuating fibre to rotate reversibly. We show that these fibres, which are lightweight, flexible and strong, are suitable for a variety of applications such as energy-harvesting generators, deformable sensing springs and smart textiles.

  13. Accumulation of heavy particles around a helical vortex filament

    NASA Astrophysics Data System (ADS)

    IJzermans, Rutger H. A.; Hagmeijer, Rob; van Langen, Pieter J.

    2007-10-01

    The motion of small heavy particles near a helical vortex filament in incompressible flow is investigated. Both the configurations of a helical vortex filament in free space and a helical vortex filament in a concentric pipe are considered, and the corresponding helically symmetric velocity fields are expressed in terms of a stream function. Particle motion is assumed to be driven by Stokes drag, and the flow fields are assumed to be independent from the motion of particles. Numerical results show that heavy particles may be attracted to helical trajectories. The stability of these attraction trajectories is demonstrated by linear stability analysis. In addition, the correlation between the attraction trajectories and the streamline topologies is investigated.

  14. Hierarchically arranged helical fibre actuators driven by solvents and vapours.

    PubMed

    Chen, Peining; Xu, Yifan; He, Sisi; Sun, Xuemei; Pan, Shaowu; Deng, Jue; Chen, Daoyong; Peng, Huisheng

    2015-12-01

    Mechanical responsiveness in many plants is produced by helical organizations of cellulose microfibrils. However, simple mimicry of these naturally occurring helical structures does not produce artificial materials with the desired tunable actuations. Here, we show that actuating fibres that respond to solvent and vapour stimuli can be created through the hierarchical and helical assembly of aligned carbon nanotubes. Primary fibres consisting of helical assemblies of multiwalled carbon nanotubes are twisted together to form the helical actuating fibres. The nanoscale gaps between the nanotubes and micrometre-scale gaps among the primary fibres contribute to the rapid response and large actuation stroke of the actuating fibres. The compact coils allow the actuating fibre to rotate reversibly. We show that these fibres, which are lightweight, flexible and strong, are suitable for a variety of applications such as energy-harvesting generators, deformable sensing springs and smart textiles. PMID:26367106

  15. Structure-based design of novel Chlamydomonas reinhardtii D1-D2 photosynthetic proteins for herbicide monitoring

    PubMed Central

    Rea, Giuseppina; Polticelli, Fabio; Antonacci, Amina; Scognamiglio, Viviana; Katiyar, Prashant; Kulkarni, Sudhir A; Johanningmeier, Udo; Giardi, Maria Teresa

    2009-01-01

    The D1-D2 heterodimer in the reaction center core of phototrophs binds the redox plastoquinone cofactors, QA and QB, the terminal acceptors of the photosynthetic electron transfer chain in the photosystem II (PSII). This complex is the target of the herbicide atrazine, an environmental pollutant competitive inhibitor of QB binding, and consequently it represents an excellent biomediator to develop biosensors for pollutant monitoring in ecosystems. In this context, we have undertaken a study of the Chlamydomonas reinhardtii D1-D2 proteins aimed at designing site directed mutants with increased affinity for atrazine. The three-dimensional structure of the D1 and D2 proteins from C. reinhardtii has been homology modeled using the crystal structure of the highly homologous Thermosynechococcus elongatus proteins as templates. Mutants of D1 and D2 were then generated in silico and the atrazine binding affinity of the mutant proteins has been calculated to predict mutations able to increase PSII affinity for atrazine. The computational approach has been validated through comparison with available experimental data and production and characterization of one of the predicted mutants. The latter analyses indicated an increase of one order of magnitude of the mutant sensitivity and affinity for atrazine as compared to the control strain. Finally, D1-D2 heterodimer mutants were designed and selected which, according to our model, increase atrazine binding affinity by up to 20 kcal/mol, representing useful starting points for the development of high affinity biosensors for atrazine. PMID:19693932

  16. Dimensional phase transition from an array of 1D Luttinger liquids to a 3D Bose-Einstein condensate.

    PubMed

    Vogler, Andreas; Labouvie, Ralf; Barontini, Giovanni; Eggert, Sebastian; Guarrera, Vera; Ott, Herwig

    2014-11-21

    We study the thermodynamic properties of a 2D array of coupled one-dimensional Bose gases. The system is realized with ultracold bosonic atoms loaded in the potential tubes of a two-dimensional optical lattice. For negligible coupling strength, each tube is an independent weakly interacting 1D Bose gas featuring Tomonaga Luttinger liquid behavior. By decreasing the lattice depth, we increase the coupling strength between the 1D gases and allow for the phase transition into a 3D condensate. We extract the phase diagram for such a system and compare our results with theoretical predictions. Because of the high effective mass across the periodic potential and the increased 1D interaction strength, the phase transition is shifted to large positive values of the chemical potential. Our results are prototypical to a variety of low-dimensional systems, where the coupling between the subsystems is realized in a higher spatial dimension such as coupled spin chains in magnetic insulators. PMID:25479499

  17. Insulin-induced tyrosine dephosphorylation of paxillin and focal adhesion kinase requires active phosphotyrosine phosphatase 1D.

    PubMed Central

    Ouwens, D M; Mikkers, H M; van der Zon, G C; Stein-Gerlach, M; Ullrich, A; Maassen, J A

    1996-01-01

    Insulin stimulation of fibroblasts rapidly induces the tyrosine dephosphorylation of proteins of 68 kDa and 125 kDa, in addition to the tyrosine phosphorylation of the insulin receptor beta-chain, insulin receptor substrates 1 and 2, and Shc. Using specific antibodies, the 68 kDa and 125 kDa proteins were identified as paxillin and focal adhesion kinase (pp125FAK) respectively. We have examined whether dephosphorylation of paxillin and pp125FAK requires interaction of the cells with the extracellular matrix. For this, cells were grown on poly(L-lysine) plates, and the tyrosine phosphorylation of pp125FAK and paxillin was increased by addition of lysophosphatidic acid. Under these conditions, insulin still induced the complete dephosphorylation of pp125FAK and paxillin, indicating that this process can occur independently of the interaction of integrins with extracellular matrix proteins. We also studied whether dephosphorylation of pp125FAK and paxillin results from the action of a phosphotyrosine phosphatase. It was found that phenylarsine oxide, a phosphotyrosine phosphatase inhibitor, prevented the insulin-induced dephosphorylation of pp125FAK and paxillin. Furthermore, this insulin-induced dephosphorylation was also impaired in cells expressing a dominant-negative mutant of phosphotyrosine phosphatase 1D (PTP 1D). Thus we have identified paxillin as a target for dephosphorylation by insulin. In addition, we have obtained evidence that the insulin-mediated dephosphorylation of paxillin and pp125FAK requires active PTP 1D. PMID:8809054

  18. Correlation between inter-spin interaction and molecular dynamics of organic radicals in organic 1D nanochannels

    NASA Astrophysics Data System (ADS)

    Kobayashi, Hirokazu

    2015-12-01

    One-dimensional (1D) molecular chains of 4-substituted-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-X-TEMPO) radicals were constructed in the crystalline 1D nanochannels of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) used as a template. The ESR spectra of CLPOT inclusion compounds (ICs) using 4-X-TEMPO were examined on the basis of spectral simulation using EasySpin program package for simulating and fitting ESR spectra. The ESR spectra of [(CLPOT)2-(TEMPO)1.0] IC were isotropic in the total range of temperatures. The peak-to-peak line width (ΔBpp) became monotonically narrower from 2.8 to 1.3 mT with increase in temperature in the range of 4.2-298 K. The effect of the rotational diffusion motion of TEMPO radicals in the CLPOT nanochannels for the inter-spin interaction of the [(CLPOT)2-(TEMPO)1.0] IC was found to be smaller than the case of [(TPP)2-(TEMPO)1.0] IC (TPP = tris(o-phenylenedioxy)cyclotriphosphazene) reported in our previous study. The ΔBpp of the [(CLPOT)2-(TEMPO)1.0] IC in the whole range of temperatures was much narrower than the estimation to be based on the Van Vleck's formula for the second moment of the rigid lattice model where the electron spin can be considered as fixed; 11 mT of Gaussian line-width component. This suggests the possibility of exchange narrowing in the 1D organic-radical chains of the [(CLPOT)2-(TEMPO)1.0] IC. On the other hand, the ESR spectra of [(CLPOT)2-(MeO-TEMPO)0.41] IC (MeO-TEMPO = 4-methoxy-TEMPO) were reproduced by a superposition of major broad isotropic adsorption line and minor temperature-dependent modulated triplet component. This suggests that the IC has the part of 1D organic-radical chains and MeO-TEMPO molecules isolated in the CLPOT nanochannels.

  19. Correlation between inter-spin interaction and molecular dynamics of organic radicals in organic 1D nanochannels

    SciTech Connect

    Kobayashi, Hirokazu

    2015-12-31

    One-dimensional (1D) molecular chains of 4-substituted-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-X-TEMPO) radicals were constructed in the crystalline 1D nanochannels of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) used as a template. The ESR spectra of CLPOT inclusion compounds (ICs) using 4-X-TEMPO were examined on the basis of spectral simulation using EasySpin program package for simulating and fitting ESR spectra. The ESR spectra of [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC were isotropic in the total range of temperatures. The peak-to-peak line width (ΔB{sub pp}) became monotonically narrower from 2.8 to 1.3 mT with increase in temperature in the range of 4.2–298 K. The effect of the rotational diffusion motion of TEMPO radicals in the CLPOT nanochannels for the inter-spin interaction of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC was found to be smaller than the case of [(TPP){sub 2}−(TEMPO){sub 1.0}] IC (TPP = tris(o-phenylenedioxy)cyclotriphosphazene) reported in our previous study. The ΔB{sub pp} of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC in the whole range of temperatures was much narrower than the estimation to be based on the Van Vleck’s formula for the second moment of the rigid lattice model where the electron spin can be considered as fixed; 11 mT of Gaussian line-width component. This suggests the possibility of exchange narrowing in the 1D organic-radical chains of the [(CLPOT){sub 2}-(TEMPO){sub 1.0}] IC. On the other hand, the ESR spectra of [(CLPOT){sub 2}-(MeO-TEMPO){sub 0.41}] IC (MeO-TEMPO = 4-methoxy-TEMPO) were reproduced by a superposition of major broad isotropic adsorption line and minor temperature-dependent modulated triplet component. This suggests that the IC has the part of 1D organic-radical chains and MeO-TEMPO molecules isolated in the CLPOT nanochannels.

  20. Study on the Keggin zinctungstates based hybrid compound with like DNA spiral chain

    NASA Astrophysics Data System (ADS)

    Li, Liang; Sha, Jing-Quan; Zong, Xi-Ming; Liu, Cui-Juan; Zhang, Qian-Nan; Wang, Dong-Wen; Yang, Xiao-Ning; Wang, Yu

    2014-05-01

    A new compound based on polyoxometalates (POMs) and the quinolone antibacterial pipemidic acid (HPPA), {[Zn(HPPA)2H2O]2[H2ZnW12O40]}ṡ9H2O (1), was hydrothermally synthesized and characterized by elemental analyses, IR and XPRD. Single-crystal X-ray diffraction analysis reveals that the [ clusters and Zn-HPPA complexes constructed both right- and left-double-stranded like DNA helical chains in the title compound, and these helical chains are further connected together forming the fascinating quadruple-stranded helices via sharing the ZnW12 clusters. Note that the compound 1 represents the first example of zinctungstate POMs modified by antibacterial drugs. In addition, the antibacterial properties of the compound 1 were investigated.