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Sample records for twisted intramolecular charge

  1. Hydrogen bond strengthening induces fluorescence quenching of PRODAN derivative by turning on twisted intramolecular charge transfer

    Science.gov (United States)

    Yang, Yonggang; Li, Donglin; Li, Chaozheng; Liu, YuFang; Jiang, Kai

    2017-12-01

    Researchers have proposed different effective mechanisms of hydrogen bonding (HB) on the fluorescence of 6-propionyl-2-dimethylaminonaphthalene (PRODAN) and its derivatives. Herein, excited state transition and dynamics analysis confirm that the fluorescence of PD (a derivative of PRODAN with ethyl replaced by 3-hydroxy-2,2-dimethylpropan) emits from the planar intramolecular charge transfer (PICT) state rather than twist ICT (TICT) state, because the fluorescence emission and surface hopping from the TICT state to the twist ground (T-S0) state is energy forbidden. Nevertheless, the strengthening of intramolecular-HB (intra-HB) and intermolecular-HB (inter-HB) of PD-(methanol)2 smooth the pathway of surface hopping from TICT to T-S0 state and the external conversion going to planar ground state by decreasing the energy difference of the two states. This smoothing changes the fluorescence state of PD-(methanol)2 to the TICT state in which fluorescence emission does not occur but surface hopping, leading to the partial fluorescence quenching of PD in methanol solvent. This conclusion is different from previous related reports. Moreover, the inter-HB strengthening of PD-methanol in PICT state induces the cleavage of intra-HB and a fluorescence red-shift of 54 nm compared to PD. This red-shift increases to 66 nm for PD-(methanol)2 for the strengthening of the one intra-HB and two inter-HBs. The dipole moments of PD-methanol and PD-(methanol)2 respectively increase about 10.3D and 8.1D in PICT state compared to PD. The synergistic effect of intra-HB and inter-HB induces partial quenching of PD in methanol solvent by turning on the TICT state and fluorescence red-shift. This work gives a reasonable description on the fluorescence red-shift and partial quenching of PD in methanol solvent, which will bring insight into the study of spectroscopic properties of molecules owning better spectral characteristics.

  2. Direct Observation of a Photochemical Alkyne-Allene Reaction and of a Twisted and Rehybridized Intramolecular Charge-Transfer State in a Donor-Acceptor Dyad.

    Science.gov (United States)

    Dereka, Bogdan; Svechkarev, Denis; Rosspeintner, Arnulf; Tromayer, Maximilian; Liska, Robert; Mohs, Aaron M; Vauthey, Eric

    2017-11-22

    The excited-state dynamics of an aniline-triazine electron donor-acceptor dyad with an alkyne spacer has been investigated using a combination of ultrafast broadband mid-IR and visible transient absorption and fluorescence spectroscopies. The transient IR data reveal the occurrence of an efficient alkyne to allene isomerization of the spacer with a time constant increasing from a few hundreds of femtoseconds to a few picoseconds with solvent viscosity. This process is faster than the vibrational cooling of the Franck-Condon excited state, indicative of nonequilibrium dynamics. The transient electronic absorption and fluorescence data evidence that this transformation is accompanied by a charge separation between the donor and the acceptor subunits. The allene character of the spacer implies an orthogonal orientation of the donor and acceptor moieties, similar to that proposed for twisted intramolecular charge-transfer states. Such states are often invoked in the excited-state dynamics of donor-acceptor dyads, but their involvement could never be unambiguously evidenced spectroscopically. The alkyne-allene isomerization involves not only a torsional motion but also a bending of the molecule due to the sp to sp 2 rehybridization of one of the alkyne carbon atoms. This twisted and rehybridized intramolecular charge transfer ("TRICT") state decays back to the planar and linear alkyne ground state on a time scale decreasing from a few hundred to ten picoseconds upon going from weakly to highly polar solvents. The different solvent dependencies reveal that the dynamics of the allene buildup are controlled by the structural changes, whereas the decay is limited by the charge recombination step.

  3. Twisted intramolecular charge transfer investigation of semi organic L-Glutamic acid hydrochloride single crystal for organic light-emitting and optical limiting applications

    Science.gov (United States)

    Joy, Lija K.; George, Merin; Alex, Javeesh; Aravind, Arun; Sajan, D.; Vinitha, G.

    2018-03-01

    Single crystals of L-Glutamic acid hydrochloride (LGHCl) were grown by slow evaporation solution technique and good crystalline perfection was confirmed by Powder X-ray diffraction studies. The complete vibrational studies of the compound were analyzed by FT-IR, FT-Raman and UV-visible spectra combined with Normal Coordinate Analysis (NCA) following the scaled quantum mechanical force field methodology and density functional theory (DFT). Twisted Intramolecular Charge Transfer (ICT) occurs due to the presence of strong ionic intra-molecular Nsbnd H⋯O hydrogen bonding was confirmed by Hirshfeld Surface analysis. The existence of intermolecular Nsbnd H⋯Cl hydrogen bonds due to the interaction between the lone pair of oxygen with the antibonding orbital was established by NBO analysis. The Z-scan result indicated that the title molecule exhibits saturable absorption behavior. The attractive third-order nonlinear properties suggest that LGHCl can be a promising candidate for the design and development devices for optical limiting applications. LGHCL exhibits distinct emission in the blue region of the fluorescence lifetime which proves to be a potential candidate for blue- Organic light-emitting diodes (OLEDs) fabrication.

  4. Twisted intra-molecular charge transfer investigations of semiorganic triglycine phosphate single crystal for non linear optical applications

    Science.gov (United States)

    Meera, M. R.; Joselin Beaula, T.; Rayar, S. L.; Bena Jothy, V.

    2017-09-01

    NLO materials are gaining importance in technologies such as optical communication, optical computing and dynamic image processing. Many NLO crystals grown by mixing amino acids with various organic and inorganic acids have been reported in the literature. Hence, glycine mixed semi-organic material will be of special interest as a fundamental building block to develop many complex crystals with improved NLO properties. A semi organic Single crystal of Triglycine Phosphate (TGP) which was grown and spectral analysis have been using FTIR and Raman spectral analysis. Natural Bond Orbital Analysis and the atomic natural charges are also predicted. HOMO LUMO energy gap value suggests the possibility of charge transfer within the molecule.

  5. Evaluation of intramolecular charge transfer state of 4-N, N ...

    Indian Academy of Sciences (India)

    intermediate charge transfer (TICT) model.2 Evidence suggests that the intramolecular TICT process from a donor to an acceptor could be achieved by a twist- ing motion of the donor moiety that promotes initially generated locally excited (LE) state to an energeti- cally relaxed charge transfer state (CT).2–6,8,13 Besides.

  6. Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond. Dipak K. Palit Radaition & Photochemistry Division Bhabha Atomic Research Centre Mumbai 400 085, India.

  7. Extensive reduction in back electron transfer in twisted intramolecular charge-transfer (TICT) coumarin-dye-sensitized TiO(2) nanoparticles/film: a femtosecond transient absorption study.

    Science.gov (United States)

    Debnath, Tushar; Maity, Partha; Lobo, Hyacintha; Singh, Balvant; Shankarling, Ganapati S; Ghosh, Hirendra N

    2014-03-17

    We report the synthesis, characterization, and optical and electrochemical properties of two structurally similar coumarin dyes (C1 and C2). These dyes have been deployed as sensitizers in TiO2 nanoparticles and thin films, and the effect of molecular structure on interfacial electron-transfer dynamics has been studied. Steady-state optical absorption, emission, and time-resolved emission studies on both C1 and C2, varying the polarity of the solvent and the solution pH, suggest that both photoexcited dyes exist in a locally excited (LE) state in solvents of low polarity. In highly polar solvents, however, C1 exists in an intramolecular charge-transfer (ICT) state, whereas C2 exists in both ICT and twisted intramolecular charge-transfer (TICT) states, their populations depending on the degree of polarity of the solvent and the pH of the solution. We have employed femtosecond transient absorption spectroscopy to monitor the charge-transfer dynamics in C1- and C2-sensitized TiO2 nanoparticles and thin films. Electron injection has been confirmed by direct detection of electrons in the conduction band of TiO2 nanoparticles and of radical cations of the dyes in the visible and near-IR regions of the transient absorption spectra. Electron injection in both the C1/TiO2 and C2/TiO2 systems has been found to be pulse-width limited (<100 fs); however, back-electron-transfer (BET) dynamics has been found to be slower in the C2/TiO2 system than in the C1/TiO2 system. The involvement of TICT states in C2 is solely responsible for the higher electron injection yield as well as the slower BET process compared to those in the C1/TiO2 system. Further pH-dependent experiments on C1- and C2-sensitized TiO2 thin films have corroborated the participation of the TICT state in the slower BET process in the C2/TiO2 system. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT.

    Science.gov (United States)

    Druzhinin, Sergey I; Galievsky, Victor A; Demeter, Attila; Kovalenko, Sergey A; Senyushkina, Tamara; Dubbaka, Srinivas R; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A

    2015-12-10

    From X-ray structure analysis, amino twist angles of 90.0° for 2,4-dimethyl-3-(dimethylamino)benzonitrile (mMMD), 82.7° for 4-(di-tert-butylamino)benzonitrile (DTABN), and 88.7° for 6-cyanobenzoquinuclidine (CBQ) are determined, all considerably larger than the 57.4° of 3,5-dimethyl-4-(dimethylamino)benzonitrile (MMD). This large twist leads to lengthening of the amino-phenyl bond, 143.5 pm (mMMD), 144.1 pm (DTABN), 144.6 pm (CBQ), and 141.4 pm (MMD), as compared with 136.5 pm for the planar 4-(dimethylamino)benzonitrile (DMABN). As a consequence, the electronic coupling between the amino and phenyl subgroups in mMMD, DTABN, CBQ, and MMD is much weaker than in DMABN, as seen from the strongly reduced molar absorption coefficients. The fluorescence spectrum of MMD in n-hexane at 25 °C consists of two emissions, from a locally excited (LE) and an intramolecular charge transfer (ICT) state, with a fluorescence quantum yield ratio Φ'(ICT)/Φ(LE) of 12.8. In MeCN, a single ICT emission is found. With mMMD in n-hexane, in contrast, only LE fluorescence is observed, whereas the spectrum in MeCN originates from the ICT state. These differences are also seen from the half-widths of the overall fluorescence bands, which in n-hexane are larger for MMD than for mMMD, decreasing with solvent polarity for MMD and increasing for mMMD, reflecting the disappearance of LE and the onset of ICT in the overall spectra, respectively. From solvatochromic measurements the dipole moments μe(ICT) of MMD (16 D) and mMMD (15 D) are obtained. Femtosecond excited state absorption (ESA) spectra at 22 °C, together with the dual (LE + ICT) fluorescence, reveal that MMD in n-hexane undergoes a reversible LE ⇄ ICT reaction, with LE as the precursor, with a forward rate constant ka = 5.6 × 10(12) s(-1) and a back-reaction kd ∼ 0.05 × 10(12) s(-1). With MMD in the strongly polar solvent MeCN, ICT is faster: ka = 10 × 10(12) s(-1). In the case of mMMD in n-hexane, the ESA spectra show

  9. Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond

    Indian Academy of Sciences (India)

    Ultrafast Dynamics of Chemical Reactions in Condensed Phase: Intramolecular Energy Transfer, Charge Transfer & Hydrogen Bond · PowerPoint Presentation · Slide 3 · Slide 4 · Slide 5 · Slide 6 · Slide 7 · Slide 8 · Slide 9 · Slide 10 · Slide 11 · Slide 12 · Slide 13 · Slide 14 · Slide 15 · Slide 16 · Slide 17 · Slide 18 · Slide 19.

  10. Effect of structural changes in sesquifulvalene on the intramolecular charge transfer and nonlinear polarizations a theoretical study

    Science.gov (United States)

    Nandi, P. K.; Mandal, K.; Kar, T.

    2003-11-01

    Ab initio HF calculations of the ground state structural parameters, and the time dependent HF (TDHF) calculations of static nonlinear polarizabilities have been performed for a number of sesquifulvalene derivatives. The calculated NLO parameters show a good correlation with the hardness parameters. The nature of hetero-atoms and their positions can strongly influence the intramolecular charge transfer (ICT) interactions and the nonlinear polarizations of sesquifulvalene. Nonlinear polarizabilities in the twisted structures have been found to depend both on the energy barrier to twist and the transition energy corresponding to the twisted ICT (TICT) state characterized by the HOMO → LUMO transition.

  11. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Administrator

    Abstract. Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several.

  12. Excited state intramolecular charge transfer reaction of 4 ...

    Indian Academy of Sciences (India)

    An intramolecular charge transfer (ICT) molecule with an extra hetero atom in its donor moiety has been synthesized in order to investigate how ICT reaction is affected by hetero atom replacement. Photo-physical and photo-dynamical properties of this molecule, 4-(morpholenyl)benzonitrile (M6C), have been studied in 20 ...

  13. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Excited state intramolecular charge transfer reaction of 4-(1-azetidinyl) benzonitrile (P4C) in deuterated and normal methanol, ethanol and acetonitrile has been studied in order to investigate the solvent isotope effects on reaction rates and yields. These quantities (reaction rates and yields) along with several other ...

  14. Effects of acid concentration on intramolecular charge transfer ...

    Indian Academy of Sciences (India)

    of P4C molecule.7 Temperature-assisted aggregation of alcohol has also been observed by following the fluo- rescence response of the same solute.20 Electrolyte- induced modulation of intramolecular charge transfer rate of P4C molecule in pure solvent has been explored and a non-monotonic dependence observed.18.

  15. Influence of Intramolecular Charge Transfer and Nuclear Quantum Effects on Intramolecular Hydrogen Bonds in Azopyrimidines.

    Science.gov (United States)

    Bártová, Kateřina; Čechová, Lucie; Procházková, Eliška; Socha, Ondřej; Janeba, Zlatko; Dračínský, Martin

    2017-10-06

    Intramolecular hydrogen bonds (IMHBs) in 5-azopyrimidines are investigated by NMR spectroscopy and DFT computations that involve nuclear quantum effects. A series of substituted 5-phenylazopyrimidines with one or two hydrogen bond donors able to form IMHBs with the azo group is prepared by azo coupling. The barrier of interconversion between two rotamers of the compounds with two possible IMHBs is determined by variable temperature NMR spectroscopy and it is demonstrated that the barrier is significantly affected by intramolecular charge transfer. Through-hydrogen-bond scalar coupling is investigated in 15 N labeled compounds and the stability of the IMHBs is correlated with experimental NMR parameters and rationalized by path integral molecular dynamics simulations that involve nuclear quantum effects. Detailed information on the hydrogen bond geometry upon hydrogen-to-deuterium isotope exchange is obtained from a comparison of experimental and calculated NMR data.

  16. The role of hydrogen bonding in excited state intramolecular charge transfer.

    Science.gov (United States)

    Chipem, Francis A S; Mishra, Anasuya; Krishnamoorthy, G

    2012-07-07

    Intramolecular charge transfer (ICT) that occurs upon photoexcitation of molecules is a vital process in nature and it has ample applications in chemistry and biology. The ICT process of the excited molecules is affected by several environmental factors including polarity, viscosity and hydrogen bonding. The effect of polarity and viscosity on the ICT processes is well understood. But, despite the fact that hydrogen bonding significantly influences the ICT process, the specific role of hydrogen bonding in the formation and stabilization of the ICT state is not unambiguously established. Some literature reports predicted that the hydrogen bonding of the solvent with a donor promotes the formation of a twisted intramolecular charge transfer (TICT) state. Some other reports stated that it inhibits the formation of the TICT state. Alternatively, it was proposed that the hydrogen bonding of the solvent with an acceptor favors the TICT state. It is also observed that a dynamic equilibrium is established between the free and the hydrogen bonded ICT states. This perspective focuses on the specific role played by hydrogen bonding of the solvent with the donor and the acceptor, and by proton transfer in the ICT process. The utility of such influence in molecular recognition and anion sensing is discussed with a few recent literature examples in the end.

  17. The Nature of the Intramolecular Charge Transfer State in Peridinin

    Science.gov (United States)

    Wagner, Nicole L.; Greco, Jordan A.; Enriquez, Miriam M.; Frank, Harry A.; Birge, Robert R.

    2013-01-01

    Experimental and theoretical evidence is presented that supports the theory that the intramolecular charge transfer (ICT) state of peridinin is an evolved state formed via excited-state bond-order reversal and solvent reorganization in polar media. The ICT state evolves in ICT state are generated via mixing of the “11Bu+” ionic state and the lowest-lying “21Ag–” covalent state. The resulting ICT state is primarily 1Bu+-like in character and exhibits not only a large oscillator strength but an unusually large doubly excited character. In most solvents, two populations exist in equilibrium, one with a lowest-lying ICT ionic state and a second with a lowest-lying “21Ag–” covalent state. The two populations are separated by a small barrier associated with solvent relaxation and cavity formation. PMID:23528091

  18. Intramolecular charge transfer effects on 3-aminobenzoic acid

    Energy Technology Data Exchange (ETDEWEB)

    Stalin, T. [Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram 608 002, Tamil Nadu (India); Rajendiran, N. [Department of Chemistry, Annamalai University, Annamalainagar, Chidambaram 608 002, Tamil Nadu (India)], E-mail: drrajendiran@rediffmail.com

    2006-03-20

    Effect of solvents, buffer solutions of different pH and {beta}-cyclodextrin on the absorption and fluorescence spectra of 3-aminobenzoic acid (3ABA) have been investigated. The solid inclusion complex of 3ABA with {beta}-CD is discussed by UV-Vis, fluorimetry, semiempirical quantum calculations (AM1), FT-IR, {sup 1}H NMR and Scanning Electron Microscope (SEM). The thermodynamic parameters ({delta}H, {delta}G and {delta}S) of the inclusion process are also determined. The experimental results indicated that the inclusion processes is an exothermic and spontaneous. The large Stokes shift emission in solvents with 3ABA are correlated with different solvent polarity scales suggest that, 3ABA molecule is more polar in the S{sub 1} state. Solvent, {beta}-CD studies and excited state dipole moment values confirms that the presence of intramolecular charge transfer (ICT) in 3ABA. Acidity constants for different prototropic equilibria of 3ABA in the S{sub 0} and S{sub 1} states are calculated. {beta}-Cyclodextrin studies shows that 3ABA forms a 1:1 inclusion complex with {beta}-CD. {beta}-CD studies suggest COOH group present in non-polar part and amino group present in hydrophilic part of the {beta}-CD cavity. A mechanism is proposed to explain the inclusion process.

  19. Dynamics of the excited state intramolecular charge transfer

    International Nuclear Information System (INIS)

    Joo, T.; Kim, C.H.

    2006-01-01

    The 6-dodecanoyl-2-dimethylaminonaphtalene (laurdan), a derivative of 6-propanoyl- 2-dimethylaminonaphthalene (prodan), has been used as a fluorescent probe in cell imaging, especially in visualizing the lipid rafts by the generalized polarization (GP) images, where GP=(I 440 -I 490 )/(I 440 +I 490 ) with I being the fluorescence intensity. The fluorescence spectrum of laurdan is sensitive to its dipolar environment due to the intramolecular charge transfer (ICT) process in S 1 state, which results in a dual emission from the locally excited (LE) and the ICT states. The ICT process and the solvation of the ICT state are very sensitive to the dipolar nature of the environment. In this work, the ICT of laurdan in ethanol has been studied by femtosecond time resolved fluorescence (TRF), especially TRF spectra measurement without the conventional spectral reconstruction method. TRF probes the excited states exclusively, a unique advantage over the pump/probe transient absorption technique, although time resolution of the TRF is generally lower than transient absorption and the TRF spectra measurement was possible only though the spectral reconstruction. Over the years, critical advances in TRF technique have been made in our group to achieve <50 fs time resolution with direct full spectra measurement capability. Detailed ICT and the subsequent solvation processes can be visualized unambiguously from the TRF spectra. Fig. 1 shows the TRF spectra of laurdan in ethanol at several time delays. Surprisingly, two bands at 433 and 476 nm are clearly visible in the TRF spectra of laurdan even at T = 0 fs. As time increases, the band at 476 nm shifts to the red while its intensity increases. The band at 433 nm also shifts slightly to the red, but loses intensity as time increases. The intensity of the 476 nm band reaches maximum at around 5 ps, where it is roughly twice as intense as that at 0 fs, and stays constant until lifetime decay is noticeable. The spectra were fit by

  20. Excited state intramolecular charge transfer reaction in non-aqueous ...

    Indian Academy of Sciences (India)

    is found to produce a linear increase of confined solvent viscosity but leads to a non-monotonic electrolyte concentration ... The observed huge reduction in reaction rate constant is attributed to the effects of decreased solution polarity, enhanced vis- .... twisting mode while reacting inside a confined pool. We have used the ...

  1. Evaluation of intramolecular charge transfer state of 4-N, N ...

    Indian Academy of Sciences (India)

    Ground state optimized structure of DMACA is pla- nar, and almost without any twisting between N,N- dimethylamino group to the phenyl moiety (scheme 1). The ground state dipole-moment of DMACA in vac- uum was found to be 7.4 D. However, we have detected a larger ground state dipole-moment in polar aprotic.

  2. Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads

    KAUST Repository

    Whited, Matthew T.

    2012-01-01

    We report the synthesis and characterization of symmetric BODIPY dyads where the chromophores are attached at the meso position, using either a phenylene bridge or direct linkage. Both molecules undergo symmetry-breaking intramolecular charge transfer in the excited state, and the directly linked dyad serves as a visible-light-absorbing analogue of 9,9′-bianthryl.

  3. Photoinduced intramolecular charge-transfer reactions in 4-amino-3 ...

    Indian Academy of Sciences (India)

    TECS

    primary amino group, shows dual emission in polar solvents. Absorption and emission ... for understanding the primary processes of vision ... demonstrated ICT in some fluoro-substituted amino benzonitrile deriva- tive and very recently Stalin et al. 10–12 reported charge-transfer reaction in p-amino benzoic acid, 3-.

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

    Science.gov (United States)

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

    2016-06-01

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

  5. Charge transport properties of a twisted DNA molecule: A renormalization approach

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, M.L. de; Ourique, G.S.; Fulco, U.L. [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Albuquerque, E.L., E-mail: eudenilson@gmail.com [Departamento de Biofísica e Farmacologia, Universidade Federal do Rio Grande do Norte, 59072-970 Natal-RN (Brazil); Moura, F.A.B.F. de; Lyra, M.L. [Instituto de Física, Universidade Federal de Alagoas, 57072-900 Maceió-AL (Brazil)

    2016-10-20

    In this work we study the charge transport properties of a nanodevice consisting of a finite segment of the DNA molecule sandwiched between two metallic electrodes. Our model takes into account a nearest-neighbor tight-binding Hamiltonian considering the nucleobases twist motion, whose solutions make use of a two-steps renormalization process to simplify the algebra, which can be otherwise quite involved. The resulting variations of the charge transport efficiency are analyzed by numerically computing the main features of the electron transmittance spectra as well as their I × V characteristic curves.

  6. Intra-molecular Charge Transfer and Electron Delocalization in Non-Fullerene Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.; Filatov, Alexander S.; Sharapov, Valerii; Colon, Yamil; Cai, Zhengxu; Jiang, Xuanfeng; Wang, Junpeng; Chen, Wei; de Pablo, Juan; Galli, Giulia; Yu, Luping

    2018-03-28

    Two types of electron acceptors were synthesized by coupling two kinds of electron-rich cores with four equivalent perylene diimides (PDIs) at the a position. With fully aromatic cores, TPB and TPSe have pi-orbitals spread continuously over the whole aromatic conjugated backbone, unlike TPC and TPSi, which contain isolated PDI units due to the use of a tetrahedron carbon or silicon linker. Density functional theory calculations of the projected density of states showed that the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) for TPB are localized in separate regions of space. Further, the LUMO of TPB shows a greater contribution from the orbitals belonging to the connective core of the molecules than that of TPC. Overall, the properties of the HOMO and LUMO point at increased intra-molecular delocalization of negative charge carriers for TPB and TPSe than for TPC and TPSi and hence at a more facile intra-molecular charge transfer for the former. The film absorption and emission spectra showed evidences for the inter -molecular electron delocalization in TPB and TPSe, which is consistent with the network structure revealed by X-ray diffraction studies on single crystals of TPB. These features benefit the formation of charge transfer states and/or facilitate charge transport. Thus, higher electron mobility and higher charge dissociation probabilities under J(sc) condition were observed in blend films of TPB:PTB7-Th and TPSe:PTB7-Th than those in TPC:PTB7Th and TPSi:PTB7-Th blend films. As a result, the J(sc) and fill factor values of 15.02 mA/cm(2), 0.58 and 14.36 mA/cm(2), 0.55 for TPB- and TPSe-based solar cell are observed, whereas those for TPC and TPSi are 11.55 mA/cm2, 0.47 and 10.35 mA/cm(2), 0.42, respectively.

  7. Spectroscopic and theoretical investigations on intramolecular charge transfer phenomenon in 1-3-dioxolane derivative

    Science.gov (United States)

    Zhang, Zhiyong; Zhang, Zhongzhi; Luo, Yijing; Sun, Shanshan; Zhang, Guangqing

    2018-02-01

    High fluorescence quantum yield (FQY) and large Stokes shift (SS) cannot be easily achieved simultaneously by traditional PICT or TICT fluorescent probe. However, an 1-3-dioxolane derivative named 5-methyl-8,9-dihydro-5H-[1,3]dioxolo[4,5-b]carbazol-6(7H)-one (MDDCO) features both high FQY and large SS. The purpose of this study is to search the mechanism behind this phenomenon by theoretical method. Simulated structure changes and charge transfer suggest ICT process in MDDCO is similar to PLICT (Planarized Intramolecular Charge Transfer) process. Calculated UV-Vis spectra and fluorescence spectra show that PLICT-like state (S1 state) of MDDCO leads to large SS. Computed transient-absorption spectra and radiative decay rates indicate that PLICT-like state is key factor for high FQY of MDDCO. These findings suggest that PLICT-like state in 1,3-dioxolane derivatives can achieve both large SS and high FQY, which presents a new method for high-performance fluorescent probe design.

  8. Photoinduced symmetry-breaking intramolecular charge transfer in a quadrupolar pyridinium derivative.

    Science.gov (United States)

    Carlotti, Benedetta; Benassi, Enrico; Spalletti, Anna; Fortuna, Cosimo G; Elisei, Fausto; Barone, Vincenzo

    2014-07-21

    We report here a joint experimental and theoretical study of a quadrupolar, two-branched pyridinium derivative of interest as a potential non-linear optical material. The spectral and photophysical behaviour of this symmetric system is greatly affected by the polarity of the medium. A very efficient photoinduced intramolecular charge transfer, surprisingly more efficient than in the dipolar asymmetric analogue, is found to occur by femtosecond resolved transient absorption spectroscopy. TD-DFT calculations are in excellent agreement with these experimental findings and predict large charge displacements in the molecular orbitals describing the ground state and the lowest excited singlet state. The theoretical study also revealed that in highly polar media the symmetry of the excited state is broken giving a possible explanation to the fluorescence and transient absorption spectra resembling those of the one-branched analogous compound in the same solvents. The present study may give an important insight into the excited state deactivation mechanism of cationic (donor-π-acceptor-π-donor)(+) quadrupolar compounds characterised by negative solvatochromism, which are expected to show significant two-photon absorption (TPA). Moreover, the water solubility of the investigated quadrupolar system may represent an added value in view of the most promising applications of TPA materials in biology and medicine.

  9. Absence of Intramolecular Singlet Fission in Pentacene-Perylenediimide Heterodimers: The Role of Charge Transfer State.

    Science.gov (United States)

    Wang, Long; Wu, Yishi; Chen, Jianwei; Wang, Lanfen; Liu, Yanping; Yu, Zhenyi; Yao, Jiannian; Fu, Hongbing

    2017-11-16

    A new class of donor-acceptor heterodimers based on two singlet fission (SF)-active chromophores, i.e., pentacene (Pc) and perylenediimide (PDI), was developed to investigate the role of charge transfer (CT) state on the excitonic dynamics. The CT state is efficiently generated upon photoexcitation. However, the resulting CT state decays to different energy states depending on the energy levels of the CT state. It undergoes extremely rapid deactivation to the ground state in polar CH 2 Cl 2 , whereas it undergoes transformation to a Pc triplet in nonpolar toluene. The efficient triplet generation in toluene is not due to SF but CT-mediated intersystem crossing. In light of the energy landscape, it is suggested that the deep energy level of the CT state relative to that of the triplet pair state makes the CT state actually serve as a trap state that cannot undergoes an intramolecular singlet fission process. These results provide guidance for the design of SF materials and highlight the requisite for more widely applicable design principles.

  10. Structural factors influencing the intramolecular charge transfer and photoinduced electron transfer in tetrapyrazinoporphyrazines.

    Science.gov (United States)

    Novakova, Veronika; Hladík, Petr; Filandrová, Tereza; Zajícová, Ivana; Krepsová, Veronika; Miletin, Miroslav; Lenčo, Juraj; Zimcik, Petr

    2014-03-21

    A series of unsymmetrical tetrapyrazinoporphyrazines (TPyzPzs) from the group of azaphthalocyanines with one peripherally attached amino substituent (donor) were synthesized, and their photophysical properties (fluorescence quantum yield and singlet oxygen quantum yield) were determined. The synthesized TPyzPzs were expected to undergo intramolecular charge transfer (ICT) as the main pathway for deactivating their excited states. Several structural factors were found to play a critical role in ICT efficiency. The substituent in the ortho position to the donor center significantly influences the ICT, with tert-butylsulfanyl and butoxy substituents inducing the strongest ICTs, whereas chloro, methyl, phenyl, and hydrogen substituents in this position reduce the efficiency. The strength of the donor positively influences the ICT efficiency and correlates well with the oxidation potential of the amines used as the substituents on the TPyzPz as follows: n-butylamine ICT (with conjugated donors and acceptors) in the TPyzPz also proved to be much stronger than a photoinduced electron transfer in which the donor and the acceptor are connected through an aliphatic linker.

  11. Intramolecular charge separation in spirobifluorene-based donor–acceptor compounds adsorbed on Au and indium tin oxide electrodes

    International Nuclear Information System (INIS)

    Heredia, Daniel; Otero, Luis; Gervaldo, Miguel; Fungo, Fernando; Dittrich, Thomas; Lin, Chih-Yen; Chi, Liang-Chen; Fang, Fu-Chuan; Wong, Ken-Tsung

    2013-01-01

    Surface photovoltage (SPV) measurements were performed with a Kelvin-probe in spirobifluorene-based donor (diphenylamine)–acceptor (dicyano or cyanoacrylic acid moieties) compounds adsorbed from highly diluted solutions onto Au and indium tin oxide electrode surfaces. Strong intramolecular charge separation (negative SPV signals up to more than 0.1 V) due to directed molecule adsorption was observed only for spirobifluorene donor–acceptor compounds with carboxylic acid moiety. SPV signals and onset energies of electronic transitions depended on ambience conditions. - Highlights: ► Fluorene donor–acceptor derivatives were adsorbed at Au and indium tin oxide. ► Surface photovoltage measurements were performed with a Kelvin-probe. ► Strong intra-molecular charge separation was observed. ► SPV signals depended on ambience conditions

  12. Excited state intramolecular charge transfer reaction in nonaqueous electrolyte solutions: temperature dependence.

    Science.gov (United States)

    Pradhan, Tuhin; Gazi, Harun Al Rasid; Biswas, Ranjit

    2009-08-07

    Temperature dependence of the excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) in ethyl acetate (EA), acetonitrile (ACN), and ethanol at several concentrations of lithium perchlorate (LiClO(4)) has been investigated by using the steady state and time resolved fluorescence spectroscopic techniques. The temperature range considered is 267-343 K. The temperature dependent spectral peak shifts and reaction driving force (-DeltaG(r)) in electrolyte solutions of these solvents can be explained qualitatively in terms of interaction between the reactant molecule and ion-atmosphere. Time resolved studies indicate that the decay kinetics of P4C is biexponential, regardless of solvents, LiClO(4) concentrations, and temperatures considered. Except at higher electrolyte concentrations in EA, reaction rates in solutions follow the Arrhenius-type temperature dependence where the estimated activation energy exhibits substantial electrolyte concentration dependence. The average of the experimentally measured activation energies in these three neat solvents is found to be in very good agreement with the predicted value based on data in room temperature solvents. While the rate constant in EA shows a electrolyte concentration induced parabolic dependence on reaction driving force (-DeltaG(r)), the former in ethanol and ACN increases only linearly with the increase in driving force (-DeltaG(r)). The data presented here also indicate that the step-wise increase in solvent reorganization energy via sequential addition of electrolyte induces the ICT reaction in weakly polar solvents to crossover from the Marcus inverted region to the normal region.

  13. Effect of base-pair inhomogeneities on charge transport along the DNA molecule, mediated by twist and radial polarons

    International Nuclear Information System (INIS)

    Palmero, F; Archilla, J F R; Hennig, D; Romero, F R

    2004-01-01

    Some recent results for a three-dimensional, semi-classical, tight-binding model for DNA show that there are two types of polarons, namely radial and twist polarons, which can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA makes it crucial to find out if charge transport also exists in DNA chains with different base pairs. In this paper, we address this problem in its simple case, a homogeneous chain except for a single different base pair, which we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder

  14. Effect of base-pair inhomogeneities on charge transport along the DNA molecule, mediated by twist and radial polarons

    Energy Technology Data Exchange (ETDEWEB)

    Palmero, F [ETS IngenierIa Informatica, Universidad de Sevilla, Avda Reina Mercedes s/n, 41012-Sevilla (Spain); Archilla, J F R [ETS IngenierIa Informatica, Universidad de Sevilla, Avda Reina Mercedes s/n, 41012-Sevilla (Spain); Hennig, D [Freie Universitaet Berlin, Fachbereich Physik, Arnimallee 14, 14195-Berlin (Germany); Romero, F R [Facultad de FIsica, Universidad de Sevilla, Avda Reina Mercedes s/n, 41012-Sevilla (Spain)

    2004-02-01

    Some recent results for a three-dimensional, semi-classical, tight-binding model for DNA show that there are two types of polarons, namely radial and twist polarons, which can transport charge along the DNA molecule. However, the existence of two types of base pairs in real DNA makes it crucial to find out if charge transport also exists in DNA chains with different base pairs. In this paper, we address this problem in its simple case, a homogeneous chain except for a single different base pair, which we call a base-pair inhomogeneity, and its effect on charge transport. Radial polarons experience either reflection or trapping. However, twist polarons are good candidates for charge transport along real DNA. This transport is also very robust with respect to weak parametric and diagonal disorder.

  15. Ultrafast intramolecular charge transfer with N-(4-cyanophenyl)carbazole. Evidence for a LE precursor and dual LE + ICT fluorescence.

    Science.gov (United States)

    Galievsky, Victor A; Druzhinin, Sergey I; Demeter, Attila; Mayer, Peter; Kovalenko, Sergey A; Senyushkina, Tamara A; Zachariasse, Klaas A

    2010-12-09

    The photophysics of N-(4-cyanophenyl)carbazole (NP4CN) was investigated by using absorption and fluorescence spectra, picosecond fluorescence decays, and femtosecond transient absorption. In the nonpolar n-hexane as well as in the polar solvent acetonitrile (MeCN), a locally excited (LE) state is detected, as a precursor for the intramolecular charge transfer (ICT) state. A LE → ICT reaction time τ(2) at 22 °C of 0.95 ps in ethyl cyanide (EtCN) and 0.32 ps in MeCN is determined from the decay of the LE excited state absorption (ESA) maximum around 620 nm. In the ESA spectrum of NP4CN in n-hexane at a pump-probe delay time of 100 ps, an important contribution of the LE band remains alongside the ICT band, in contrast to what is observed in EtCN and MeCN. This shows that a LE ⇄ ICT equilibrium is established in this solvent and the ICT reaction time of 0.5 ps is equal to the reciprocal of the sum of the forward and backward ICT rate constants 1/(k(a) + k(d)). In the photostationary S(0) → S(n) absorption spectrum of NP4CN in n-hexane and MeCN, an additional CT absorption band appears, absent in the sum of the spectra of its electron donor (D) and acceptor (A) subgroups carbazole and benzonitrile. This CT band is located at an energy of ∼4000 cm(-1) lower than for N-phenylcarbazole (NPC), due to the larger electron affinity of the benzonitrile moiety of NP4CN than the phenyl subunit of NPC. The fluorescence spectrum of NP4CN in n-hexane at 25 °C mainly consists of a structured LE emission, with a small ICT admixture, indicating that a LE → ICT reaction just starts to occur under these conditions. In di-n-pentyl ether (DPeE) and di-n-butyl ether (DBE), a LE emission is found upon cooling at the high-energy edge of the ICT fluorescence band, caused by the onset of dielectric solvent relaxation. This is not the case in more polar solvents, such as diethyl ether (DEE) and MeCN, in which a structureless ICT emission band fully overlaps the strongly quenched LE

  16. N=2 Sigma Model with Twisted Mass and Superpotential Central Charges and Solitons

    CERN Document Server

    Losev, A S

    2003-01-01

    We consider supersymmetric sigma models on the Kahler target spaces, with twisted mass. The Kahler spaces are assumed to have holomorphic Killing vectors. Introduction of a superpotential of a special type is known to be consistent with N=2 superalgebra (Alvarez-Gaume and Freedman). We show that the algebra acquires central charges in the anticommutators {Q_L, Q_L} and {Q_R, Q_R}. These central charges have no parallels, and they can exist only in two dimensions. The central extension of the N=2 superalgebra we found paves the way to a novel phenomenon -- spontaneous breaking of a part of supersymmetry. In the general case 1/2 of supersymmetry is spontaneously broken (the vacuum energy density is positive), while the remaining 1/2 is realized linearly. In the model at hand the standard fermion number is not defined, so that the Witten index as well as the Cecotti-Fendley-Intriligator-Vafa index are useless. We show how to construct an index for counting short multiplets in internal algebraic terms which is we...

  17. Characterization by time-resolved UV/Vis and infrared absorption spectroscopy of an intramolecular charge-transfer state in an organic electron-donor-bridge-acceptor system

    NARCIS (Netherlands)

    Hviid, L.; Verhoeven, J.W.; Brouwer, A.M.; Paddon-Row, M.N.; Yang, J.

    2004-01-01

    A long-lived intramolecular charge-separated state in an electron-donor-acceptor molecule is characterized by time-resolved visible and infrared absorption spectroscopy. Bands that can be assigned to the negatively charged acceptor chromophore can be clearly observed in the time-resolved IR

  18. The low-lying πσ* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne

    International Nuclear Information System (INIS)

    Lee, Jae-Kwang; Fujiwara, Takashige; Kofron, William G.; Zgierski, Marek Z.; Lim, Edward C.

    2008-01-01

    Electronic absorption spectra of the low-lying ππ* and πσ* states of several aminobenzonitriles and 4-dimethylaminobenzethyne have been studied by time-resolved transient absorption and time-dependent density functional theory calculation. In acetonitrile, the lifetime of the πσ*-state absorption is very short (picoseconds or subpicosecond) for molecules that exhibit intramolecular charge transfer (ICT), and very long (nanoseconds) for those that do not. Where direct comparison of the temporal characteristics of the πσ*-state and the ICT-state transients could be made, the formation rate of the ICT state is identical to the decay rate of the πσ* state within the experimental uncertainty. These results are consistent with the πσ*-mediated ICT mechanism, L a (ππ*)→πσ*→ICT, in which the decay rate of the πσ* state is determined by the rate of the solvent-controlled πσ*→ICT charge-shift reaction. The ππ*→πσ* state crossing does not occur in 3-dimethylaminobenzonitrile or 2-dimethylaminobenzonitrile, as predicted by the calculation, and 4-aminobenzonitrile and 4-dimethylaminobenzethyne does not exhibit the ICT reaction, consistent with the higher energy of the ICT state relative to the πσ* state

  19. Restriction of molecular twisting on a gold nanoparticle surface.

    Science.gov (United States)

    Debnath, Tushar; Dana, Jayanta; Maity, Partha; Lobo, Hyacintha; Shankarling, Ganapati S; Ghosh, Hirendra N

    2015-04-07

    To understand the photophysical properties of intramolecular charge transfer (ICT) and twisted intramolecular charge transfer (TICT) states on a gold nanoparticle (Au NP) surface, we have designed and synthesized a new coumarin molecule (C3) that exists both as ICT and TICT states in its excited state in a polar environment. On a Au NP surface, an excited C3 molecule only exists as an ICT state owing to restricted molecular rotation of a diethylamino group; as a result, no conversion from the ICT to TICT state was observed. Selection of the preferential state of a molecule with dual emitting states can be helpful for selected biological applications. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Arrays of charged (ń2ă)-twist disclinations in ferroelectric liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Lejček, Lubor

    2001-01-01

    Roč. 51, - (2001), s. 805-818 ISSN 0011-4626 R&D Projects: GA ČR GA202/99/1120 Institutional research plan: CEZ:AV0Z1010914 Keywords : disclinations * ferroelectric liquid crystals * polarization charge Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.345, year: 2001

  1. Charged (ń2ă)-twist disclinations in ferroelectric liquid crystals

    Czech Academy of Sciences Publication Activity Database

    Lejček, Lubor

    2001-01-01

    Roč. 51, č. 6 (2001), s. 581-591 ISSN 0011-4626 R&D Projects: GA ČR GA202/99/1120 Institutional research plan: CEZ:AV0Z1010914 Keywords : disclinations * ferroelectric liquid crystals * polarization charge Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.345, year: 2001

  2. Synthesis, spectral behaviour and photophysics of donor-acceptor kind of chalcones: Excited state intramolecular charge transfer and fluorescence quenching studies

    Science.gov (United States)

    Pannipara, Mehboobali; Asiri, Abdullah M.; Alamry, Khalid A.; Arshad, Muhammad N.; El-Daly, Samy A.

    2015-02-01

    The spectral and photophysical properties of two chalcones containing electron donating and accepting groups with intramolecular charge transfer characteristics were synthesized and characterized by 1H NMR, 13C NMR and X-ray crystallography. Both compounds show very strong solvent polarity dependent changes in their photophysical characteristics, namely, remarkable red shift in the emission spectra with increasing solvent polarity, large change in Stokes shift, significant reduction in the fluorescence quantum yield; indicating that the fluorescence states of these compounds are of intramolecular charge transfer (ICT) character. The solvent effect on the photophysical parameters such as singlet absorption, molar absorptivity, oscillator strength, dipole moment, fluorescence spectra, and fluorescence quantum yield of both compounds have been investigated comprehensively. For both dyes, Lippert-Mataga and Reichardt's correlations were used to estimate the difference between the excited and ground state dipole moments (Δμ). The interactions of dyes with colloidal silver nanoparticles (Ag NPs) were also studied in ethanol using steady state fluorescence quenching measurements. The fluorescence quenching data reveal that dynamic quenching and energy transfer play a major role in the fluorescence quenching of dyes by Ag NPs.

  3. Strategies to enhance the excitation energy-transfer efficiency in a light-harvesting system using the intra-molecular charge transfer character of carotenoids

    Energy Technology Data Exchange (ETDEWEB)

    Yukihira, Nao [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Sugai, Yuko [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Fujiwara, Masazumi [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan; Kosumi, Daisuke [Institute of Pulsed Power Science; Kumamoto University; Kumamoto; Japan; Iha, Masahiko [South Product Co. Ltd.; Uruma-shi; Japan; Sakaguchi, Kazuhiko [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Katsumura, Shigeo [Department of Chemistry; Graduate School of Science; Osaka City University; Osaka 558-8585; Japan; Gardiner, Alastair T. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Cogdell, Richard J. [Glasgow Biomedical Research Centre; University of Glasgow; 126 University Place; Glasgow, G12 8QQ; UK; Hashimoto, Hideki [Department of Applied Chemistry for Environment; School of Science and Technology; Kwansei Gakuin University; Sanda; Japan

    2017-01-01

    Fucoxanthin is a carotenoid that is mainly found in light-harvesting complexes from brown algae and diatoms. Due to the presence of a carbonyl group attached to polyene chains in polar environments, excitation produces an excited intra-molecular charge transfer. This intra-molecular charge transfer state plays a key role in the highly efficient (~95%) energy-transfer from fucoxanthin to chlorophyllain the light-harvesting complexes from brown algae. In purple bacterial light-harvesting systems the efficiency of excitation energy-transfer from carotenoids to bacteriochlorophylls depends on the extent of conjugation of the carotenoids. In this study we were successful, for the first time, in incorporating fucoxanthin into a light-harvesting complex 1 from the purple photosynthetic bacterium,Rhodospirillum rubrumG9+ (a carotenoidless strain). Femtosecond pump-probe spectroscopy was applied to this reconstituted light-harvesting complex in order to determine the efficiency of excitation energy-transfer from fucoxanthin to bacteriochlorophyllawhen they are bound to the light-harvesting 1 apo-proteins.

  4. Effects of Molecular Structure on Intramolecular Charge Carrier Transport in Dithieno [3,2-b: 2,3-d] Pyrrole-Based Conjugated Copolymers

    Directory of Open Access Journals (Sweden)

    Yoshihito Honsho

    2012-01-01

    Full Text Available Intramolecular mobility of positive charge carriers in conjugated polymer films based on dithieno [2,3-b: 2,3-d] pyrrole (DTP is studied by time-resolved microwave conductivity (TRMC. A series of DTP homopolymer and copolymers combined with phenyl, 2,2-biphenyl, thiophene, 2,2-bithiophene, and 9,9-dioctylfluorene were synthesized by Suzuki-Miyaura and Yamamoto coupling reactions. Polymers containing DTP unit are reported to show high value of hole mobility measured by FET method, and this type of polymers is expected to have stable HOMO orbitals which are important for hole transportation. Among these copolymers, DTP coupled with 9,9-dioctylfluorene copolymer showed the highest charge carrier mobility as high as 1.7 cm2/Vs, demonstrating an excellent electrical property on rigid copolymer backbones.

  5. Fluorescence and Intramolecular Energy Transfer in Polyphenylene Dendrimers

    NARCIS (Netherlands)

    Liu, Daojun; Feyter, Steven De; Cotlet, Mircea; Stefan, Alina; Wiesler, Uwe-Martin; Herrmann, Andreas; Grebel-Koehler, Dörthe; Qu, Jianqiang; Müllen, Klaus; Schryver, Frans C. De

    2003-01-01

    The fluorescence of polyphenylene dendrimers and the intramolecular energy transfer in polyphenylene dendrimers containing a perylenediimide core have been investigated in this paper. Polyphenylene dendrimers composed of tens or hundreds of out-of-plane twisted phenyl units exhibit strong

  6. Cold-fluid theory of equilibrium and stability of a high-intensity periodically twisted ellipse-shaped charged-particle beam

    Directory of Open Access Journals (Sweden)

    Jing Zhou

    2006-03-01

    Full Text Available It is shown that there exists an exact paraxial cold-fluid equilibrium of a high-intensity, space-charge-dominated charged-particle beam with a periodically twisted elliptic cross section in a nonaxisymmetric periodic magnetic field. Generalized envelope equations, which determine the beam envelopes, ellipse orientation, density, and internal flow velocity profiles, are derived. Nonrelativistic and relativistic examples of such beam equilibria are presented. The equilibrium and stability of such beams are demonstrated by self-consistent particle-in-cell (PIC simulations.

  7. Morphological transition of the host-structure influences solvent-relaxation: A wavelength-selective fluorescence exploration through environment-sensitive intramolecular charge transfer photophysics

    Science.gov (United States)

    Paul, Bijan Kumar; Guchhait, Nikhil

    2011-10-01

    Here, we report the modulation of photo-induced intramolecular charge transfer (ICT) photophysics of N,N-dimethylaminonaphthyl-acrylo-nitrile (DMANAN) associated with sphere-to-rod structural transition of SDS micelles induced by increasing ionic strength of the medium. Emphasis is rendered on the exploration of solvent-relaxation associated with this transition on the basis of wavelength-selective fluorescence technique which includes monitoring of red-edge excitation shift (REES) and excitation/emission anisotropy profiles. Based on micropolarity determination and organization of solvent water around the probe microenvironment we argue that the present results advocate for rod-shaped micelles to be a better mimic for membrane bilayers than spherical micelles.

  8. Twisted light

    CSIR Research Space (South Africa)

    Forbes, A

    2010-12-01

    Full Text Available Research at the Mathematical Optics Group uses "twisted" light to study new quatum-based information security systems. In order to understand the structure of "twisted" light, it is useful to start with an ordinary light beam with zero twist, namely...

  9. Fluorescent Chemosensors with Varying Degrees of Intramolecular Charge Transfer for Detection of a Nerve Agent Mimic in Solutions and in Vapor.

    Science.gov (United States)

    Cai, Yuan-Chao; Li, Chen; Song, Qin-Hua

    2017-06-23

    Nerve agents are highly toxic organophosphorus compounds, and their possible use in terrorist attacks has led to increasing interest in the development of reliable and accurate methods to detect these lethal chemicals. In this paper, we have prepared six 6-aminoquinolines with various N-substituents as chemosensors for a nerve-agent mimic diethylchlorophosphate (DCP). The chemosensors with the nucleophilic pyridine-N atom as the active site detect DCP via a catalytic hydrolysis approach to form the protonated sensor. The nucleophilicity of the pyridine-N atom depends on the donating ability of the 6-amine group, which affects the intramolecular charge-transfer (ICT) character of sensors and the protonated sensors, leading to different fluorescence-response modes. The effects of the ICT character on the sensing property have been clarified. Among these charge transfer sensors, the sensor 3 displays ratiometric fluorescence response to DCP and a low limit of detection (8 nM). Furthermore, a facile testing strip with 3 has been fabricated with poly(ethylene oxide) for real-time selective monitoring of DCP vapor.

  10. A Reversible, Charge-Induced Intramolecular C4a-S-Cysteinyl-Flavin in Choline Oxidase Variant S101C.

    Science.gov (United States)

    Su, Dan; Yuan, Hongling; Gadda, Giovanni

    2017-12-26

    Choline oxidase serves as a paradigm for alcohol oxidation catalyzed by flavin-dependent enzymes. In its active site, S101 is 4 Å from the flavin C4a atom on an extended loop. Enzyme variants substituted at S101 were generated in a previous study and investigated mechanistically [Yuan, H., and Gadda, G. (2011) Biochemistry 50, 770-779]. In this study, the typical ultraviolet-visible (UV-vis) absorption spectrum of oxidized flavin was observed for the S101C enzyme in HEPES, TES, or sodium phosphate, whereas an absorption spectrum suggesting the presence of a C4a-flavin adduct with cysteine was obtained in Tris-HCl at pH 8.0. pH titrations of the UV-vis absorption spectrum of the wild-type, S101A, S101C, and H99N enzymes in the presence and absence of Tris allowed for the determination of two pK a values that define a pH range in which the C4a-S-cysteinyl flavin is stabilized. Inhibition studies and stopped-flow kinetics demonstrated that binding of protonated Tris in the active site of the S101C enzyme is required to form the C4a-S-cysteinyl flavin. Deuterium kinetic isotope effects and proton inventories of the S101C enzyme mixed in a stopped-flow spectrophotometer with Tris established a mechanism for the reversible formation of the C4a-S-cysteinyl flavin. This study provides a detailed mechanistic analysis of the reversible formation of a bicovalent C4a-S-cysteinyl-8α-N 3 -histidyl flavin in choline oxidase, identifying an optimal pH range and a mechanistic rationale for the stabilization of de novo C4a-S-cysteinyl-flavins. Moreover, it presents an example of an intramolecular reaction of an enzyme-bound flavin without a substrate.

  11. Failures of TDDFT in describing the lowest intramolecular charge-transfer excitation in para-nitroaniline

    DEFF Research Database (Denmark)

    Eriksen, Janus J.; Sauer, Stephan P. A.; Mikkelsen, Kurt Valentin

    2013-01-01

    We investigate the failure of Time{Dependent Density Functional Theory (TDDFT) with the CAM{B3LYP exchange{correlation (xc) functional coupled to the Polarizable Embedding (PE) scheme (PE-CAM-B3LYP) in reproducing the solvatochromic shift of the lowest intense charge{transfer excitation in para{n...

  12. An intramolecular charge transfer state of carbonyl carotenoids: implications for excited state dynamics of apo-carotenals and retinal

    Czech Academy of Sciences Publication Activity Database

    Polívka, Tomáš; Kaligotla, S.; Chábera, P.; Frank, H.A.

    2011-01-01

    Roč. 13, č. 22 (2011), s. 1463-9076 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z50510513 Keywords : carotenoid * retinal * excited-state dynamics * charge-transfer state Subject RIV: BO - Biophysics Impact factor: 3.573, year: 2011

  13. A novel chalcone-analogue as an optical sensor based on ground and excited states intramolecular charge transfer: A combined experimental and theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Fayed, Tarek A. [Chemistry Department, Faculty of Science, Tanta University, 31527-Tanta (Egypt)], E-mail: tfayed2003@yahoo.co.uk

    2006-05-31

    Steady-state absorption and emission spectroscopic techniques as well as semiempirical quantum calculations at the AM1 and ZINDO/S levels have been used to investigate the intramolecular charge transfer (ICT) behaviour of a novel chalcone namely; 1-(2-pyridyl)-5-(4-dimethylaminophenyl)-penta-2,4-diene-1-one, DMAC. The ground state DMAC has a significant ICT character and a great sensitivity to the hydrogen bond donating ability of the medium as reflected from the change of the absorption spectra in pure and mixed organic solvents. On the other hand, its excited singlet state exhibits high ICT characters as manifested by the drastic solvatochromic effects. These results are consistent with the data of charge density calculations in both the ground and excited state, which indicates enhancement of the charge transfer from the dimethyl-amino group to the carbonyl oxygen upon excitation. Also, the dipole moment calculations indicates a highly dipolar excited singlet state ({delta}{mu} {sub eg} = 15.5 D). The solvent dependence of the fluorescence quantum yield of DMAC was interpreted on the basis of positive and negative solvatokinetic as well as the hydrogen bonding effects. Incorporation of the 2-pyridyl group in the chemical structure of the present DMAC led to design of a potential optical sensor for probing acidity of the medium and metal cations such as Zn{sup 2+}, Cd{sup 2+} and Hg{sup 2+}. This was concluded from the high acidochromic and metallochromic behaviour of DMAC on adding such cations to its acetonitrile solutions.

  14. Two states are not enough: quantitative evaluation of the valence-bond intramolecular charge-transfer model and its use in predicting bond length alternation effects.

    Science.gov (United States)

    Jarowski, Peter D; Mo, Yirong

    2014-12-15

    The structural weights of the canonical resonance contributors used in the Two-state valence-bond charge-transfer model, neutral (N, R1) and ionic (VB-CT, R2), to the ground states and excited states of a series of linear dipolar intramolecular charge-transfer chromophores containing a buta-1,3-dien-1,4-diyl bridge have been computed by using the block-localized wavefunction (BLW) method at the B3LYP/6-311+G(d) level to provide the first quantitative assessment of this simple model. Ground- and excited-state analysis reveals surprisingly low ground-state structural weights for the VB-CT resonance form using either this Two-state model or an expanded Ten-state model. The VB-CT state is found to be more prominent in the excited state. Individual resonance forms were structurally optimized to understand the origins of the bond length alternation (BLA) of the bridging unit. Using a Wheland energy-based weighting scheme, the weighted average of the optimized bond lengths with the Two-state model was unable to reproduce the BLA features with values 0.04 to 0.02 Å too large compared to the fully delocalized (FD) structure (BLW: ca. -0.13 to -0.07 Å, FD: ca. -0.09 to -0.05 Å). Instead, an expanded Ten-state model fit the BLA values of the FD structure to within only 0.001 Å of FD. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Selective fluorescent probes based on C dbnd N isomerization and intramolecular charge transfer (ICT) for zinc ions in aqueous solution

    Science.gov (United States)

    Li, Lei; Liu, Feng; Li, Hong-Wei

    2011-09-01

    As the second most abundant transition-metal ion in the human body, Zn 2+ plays crucial roles in many important biological processes; while in the environment, an excessive concentration of Zn 2+ may reduce the soil microbial activity resulting in phytotoxic effects. Therefore, developing effective and sensitive detection method for Zn 2+ has become crucially important and necessary both in life and environment science. Two new fluorescence probes, 2-((2-hydroxynaphthalen-1-yl)methyleneamino)-3-(1H-imidazol-5-yl) propanoic acid ( 2) and 2-hydroxy-2-((2-hydroxynaphthalen-1-yl) methyleneamino) acetic acid ( 3), were easily prepared by a one step reaction between 2-hydroxy-1-naphthaldehyde with histidine and serine, respectively, in ethanol. The optical properties of them were investigated by fluorescence spectra, which displayed specific and sensitive recognition to Zn 2+ and especially avoided the interference of Cd 2+ when they were tested against a range of physiological and environmentally relevant metal ions in aqueous solution. The responsive mechanism of the two probes to Zn 2+ were involved both the C dbnd N isomerization and ICT, which were clarified by NBO charge analysis and the HOMO-LUMO energy gap calculation by using B3LYP/6-31G density functional theory.

  16. Selective Complexation of Cyanide and Fluoride Ions with Ammonium Boranes: A Theoretical Study on Sensing Mechanism Involving Intramolecular Charge Transfer and Configurational Changes.

    Science.gov (United States)

    Bhat, Haamid R; Jha, Prakash C

    2017-05-18

    The anion binding selectivity and the recognition mechanism of two isomeric boranes, namely, 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] + , 1, where "Mes" represents mesitylene and "Me" represents methyl) and 2-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline ([o-(Mes 2 B)C 6 H 4 (NMe 3 )] + , 2) has been investigated using density functional theory (DFT) and time dependent-density functional theory (TD-DFT) methods. Natural population analysis indicates that the central boron atoms in 1 and 2 are the most active centers for nucleophilic addition of anions. The negative magnitude of free energy changes (ΔG) reveals that out of CN - , F - , Cl - , Br - , NO 3 - , and HSO 4 - only the binding of CN - and F - with 1 and 2 is thermodynamically feasible and spontaneous. In addition, the calculated binding energies reveal that the CN - is showing lesser binding affinity than F - both with 1 and 2, while other ions, viz. NO 3 - , HSO 4 - , Br - , and Cl - , either do not bind at all or show very insignificant binding energy. The first excited states (S 1 ) of 1 and 2 are shown to be the local excited states with π → σ* transition by frontier molecular orbital analysis, whereas fourth excited states (S 4 ) of 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline cyanide ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] CN, 1CN, the cyano form of 1) and 4-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline fluoride ([p-(Mes 2 B)C 6 H 4 (NMe 3 )] F, 1F, the fluoro form of 1) and fifth excited state (S 5 ) of 2-[bis(2,4,6-trimethylphenyl)boranyl]-N,N,N-trimethylaniline fluoride ([o-(Mes 2 B)C 6 H 4 (NMe 3 )] F, 2F, the fluoro form of 2) are charge separation states that are found to be responsible for the intramolecular charge transfer (ICT) process. The synergistic effect of ICT and partial configuration changes induce fluorescence quenching in 1CN, 1F, and 2F after a significant internal conversion (IC) from S 4 and

  17. Oliver Twist

    NARCIS (Netherlands)

    Dickens, Charles

    2005-01-01

    Oliver Twist is one of Dickens's most popular novels, with many famous film, television and musical adaptations. It is a classic story of good against evil, packed with humour and pathos, drama and suspense, in which the orphaned Oliver is brought up in a harsh workhouse, and then taken in and

  18. Hydrogen bonds and twist in cellulose microfibrils.

    Science.gov (United States)

    Kannam, Sridhar Kumar; Oehme, Daniel P; Doblin, Monika S; Gidley, Michael J; Bacic, Antony; Downton, Matthew T

    2017-11-01

    There is increasing experimental and computational evidence that cellulose microfibrils can exist in a stable twisted form. In this study, atomistic molecular dynamics (MD) simulations are performed to investigate the importance of intrachain hydrogen bonds on the twist in cellulose microfibrils. We systematically enforce or block the formation of these intrachain hydrogen bonds by either constraining dihedral angles or manipulating charges. For the majority of simulations a consistent right handed twist is observed. The exceptions are two sets of simulations that block the O2-O6' intrachain hydrogen bond, where no consistent twist is observed in multiple independent simulations suggesting that the O2-O6' hydrogen bond can drive twist. However, in a further simulation where exocyclic group rotation is also blocked, right-handed twist still develops suggesting that intrachain hydrogen bonds are not necessary to drive twist in cellulose microfibrils. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Intra-molecular mobility of charge carriers along oligogermane backbones studied by flash photolysis time-resolved microwave conductivity and transient optical spectroscopy techniques

    Energy Technology Data Exchange (ETDEWEB)

    Seki, Shu [Division of Applied Chemistry, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)], E-mail: seki@chem.eng.osaka-u.ac.jp; Saeki, Akinori; Acharya, Anjali; Koizumi, Yoshiko; Tagawa, Seiichi [The Institute of Scientific and Industrial Research, Osaka University, 8-1, Mihogaoka, Ibaraki, Osaka 567-0047 (Japan); Mochida, Kunio [Department of Chemistry Faculty of Science, Gakusyuin University, 1-5-1 Mejiro, Tokyo 171-8588 (Japan)

    2008-10-15

    Time-resolved microwave conductivity (TRMC) measurement has been performed for fullerene-doped thin films of oligo (dimethylgermane) at different excitation energies to evaluate the intra-molecular mobility of holes along their Ge backbones. Photo-induced electron transfer reaction between oligogermane and fullerene has been observed in the solution with a variety of solvent polarity using transient optical spectroscopy (TOS). The transient spectrum at 391 nm can be attributed to the radical cation of the oligomer under an excitation at 532-nm light, whereas the same spectrum (391 nm) is the overlapping of absorptions of radical cations and neutral radicals of oligogermanes upon exposure of 355-nm light in polar solvent. A combined TRMC and TOS experiments on the solutions of oligomer confirms the conductive transients originate from the radical cations on the backbone chains.

  20. Discovery of S···C≡N Intramolecular Bonding in a Thiophenylcyanoacrylate-Based Dye: Realizing Charge Transfer Pathways and Dye···TiO 2 Anchoring Characteristics for Dye-Sensitized Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Cole, Jacqueline M. [Cavendish; ISIS; Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439, United States; Department; Blood-Forsythe, Martin A. [Cavendish; Lin, Tze-Chia [Cavendish; Pattison, Philip [Swiss; Gong, Yun [Cavendish; Vázquez-Mayagoitia, Álvaro [Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439, United States; Waddell, Paul G. [Cavendish; Australian Centre for Neutron Scattering, Australian Nuclear Science; Zhang, Lei [Cavendish; Koumura, Nagatoshi [National Institute of Advanced Industrial Science and Technology, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565, Japan; Mori, Shogo [Division

    2017-07-25

    Donor-pi-acceptor dyes containing thiophenyl pi-conjugated units and cyanoacrylate acceptor groups are among the best-performing organic chromophores used in dye-sensitized solar cell (DSC) applications. Yet, the molecular origins of their high photovoltaic output have remained unclear until now. This synchrotron-based X-ray diffraction study elucidates these origins for the high-performance thiophenylcyanoacrylate-based dye MK-2 (7.7% DSC device efficiency) and its molecular building block, MK-44. The crystal structures of MK-2 and MK-44 are both determined, while a high-resolution charge-density mapping of the smaller molecule was also possible, enabling the nature of its bonding to be detailed. A strong S center dot center dot center dot C equivalent to N intramolecular interaction is discovered, which bears a bond critical point, thus proving that this interaction should be formally classified as a chemical bond. A topological analysis of the pi-conjugated portion of MK-44 shows that this S center dot center dot center dot C equivalent to N bonding underpins the highly efficient intramolecular charge transfer(ICT) in thiophenylcyanoacrylate dyes. This manifests as two bipartite ICT pathways bearing carboxylate and nitrile end points. In turn, these pathways dictate a preferred COO/CN anchoring mode for the dye as it adsorbs onto TiO2 surfaces, to form the dye TiO2 interface that constitutes the DSC working electrode. These results corroborate a recent proposal that all cyanoacrylate groups anchor onto TiO2 in this COO/CN binding configuration. Conformational analysis of the MK-44 and MK-2 crystal structures reveals that this S center dot center dot center dot C equivalent to N bonding will persist in MK-2. Accordingly, this newly discovered bond affords a rational explanation for the attractive photovoltaic properties of,MK-2. More generally, this study provides the first unequivocal evidence for an S center dot center dot center dot C equivalent to N

  1. Twist within a somersault.

    Science.gov (United States)

    Mikl, Joanne; Rye, David C

    2016-02-01

    The twisting somersault is a key skill in diving and gymnastics. The components of twist and somersault are defined with respect to anatomical axes, and combinations of multiples of half rotations of twist and somersault define specific twisting somersault skills. To achieve a twisting somersault skill twist must be continuous; otherwise oscillations in twist while somersaulting may be observed. The posture-dependent inertial properties of the athlete and the initial conditions determine if continuous or oscillating twist is observed. The paper derives equations for the amount of somersault required per half twist, or per twist oscillation, without making assumptions about the relative magnitudes of the moments of inertia. From these equations the skills achievable may be determined. The error associated with the common assumption that the medial and transverse principal moments of inertia are equal is explored. It is concluded that the error grows as the number of twists per somersault decreases, when the medial and transverse moments of inertia diverge, and when the longitudinal moment of inertia approaches either the medial or transverse moment of inertia. Inertial property data for an example athlete are used to illustrate the various rotational states that can occur. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Intramolecular charge transfer of 4-(dimethylamino)benzonitrile probed by time-resolved fluorescence and transient absorption: No evidence for two ICT states and a πσ* reaction intermediate

    International Nuclear Information System (INIS)

    Zachariasse, Klaas A.; Druzhinin, Sergey I.; Senyushkina, Tamara; Kovalenko, Sergey A.

    2009-01-01

    For the double exponential fluorescence decays of the locally excited (LE) and intramolecular charge transfer (ICT) states of 4-(dimethylamino)benzonitrile (DMABN) in acetonitrile (MeCN) the same times τ 1 and τ 2 are observed. This means that the reversible LE ICT reaction, starting from the initially excited LE state, can be adequately described by a two state mechanism. The most important factor responsible for the sometimes experimentally observed differences in the nanosecond decay time, with τ 1 (LE) 1 (ICT), is photoproduct formation. By employing a global analysis of the LE and ICT fluorescence response functions with a time resolution of 0.5 ps/channel in 1200 channels reliable kinetic and thermodynamic data can be obtained. The arguments presented in the literature in favor of a πσ* state with a bent CN group as an intermediate in the ICT reaction of DMABN are discussed. From the appearance of an excited state absorption (ESA) band in the spectral region between 700 and 800 nm in MeCN for N,N-dimethylanilines with CN, Br, F, CF 3 , and C(=O)OC 2 H 2 p-substituents, it is concluded that this ESA band cannot be attributed to a πσ * state, as only the C-C≡N group can undergo the required 120 deg. bending.

  3. Intramolecular and nonlinear dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Davis, M.J. [Argonne National Laboratory, IL (United States)

    1993-12-01

    Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

  4. Photophysics of internal twisting

    International Nuclear Information System (INIS)

    Heisel, F.; Miehe, J.A.; Lippert, E.; Rettig, W.; Bonacic-Koutecky, V.

    1987-01-01

    The formation and characteristics of the ''twisted intermolecular charge transfer'' is studied. Basic concepts on dual fluorescence, steady-state fluorescence, kinetic investigations and cage effects are discussed. The theoretical treatment on the electronic structure of the bonded π - donor - π acceptor pairs is outlined. The two-electron, two-orbital model, the ab initio CI models of simple double, charged and dative π - bonds as well as complex dative π - bonds and the origin of the dual fluorescence of 9.9'-Bianthryl are shown. Concerning the stochastic description of chemical reactions, Master equation, Markov, Birth-Death and Diffusion processes, Kramers-Moyal expansion, Langevin equation, Kramers' approach to steady-state rates of reaction and its extension to non-Markovian processes, and also unimolecular reactions in the absence of potential barrier are considered. Experimental results and interpretation on dynamics of DMABN in the excited state, kinetics of other dialkylanilines, extended donor-acceptor systems with anomalous fluorescence and donor-acceptor systems without anomalous fluorescence are given

  5. Twist for Snyder space

    Science.gov (United States)

    Meljanac, Daniel; Meljanac, Stjepan; Mignemi, Salvatore; Pikutić, Danijel; Štrajn, Rina

    2018-03-01

    We construct the twist operator for the Snyder space. Our starting point is a non-associative star product related to a Hermitian realisation of the noncommutative coordinates originally introduced by Snyder. The corresponding coproduct of momenta is non-coassociative. The twist is constructed using a general definition of the star product in terms of a bi-differential operator in the Hopf algebroid approach. The result is given by a closed analytical expression. We prove that this twist reproduces the correct coproducts of the momenta and the Lorentz generators. The twisted Poincaré symmetry is described by a non-associative Hopf algebra, while the twisted Lorentz symmetry is described by the undeformed Hopf algebra. This new twist might be important in the construction of different types of field theories on Snyder space.

  6. Generalised twisted partition functions

    CERN Document Server

    Petkova, V B

    2001-01-01

    We consider the set of partition functions that result from the insertion of twist operators compatible with conformal invariance in a given 2D Conformal Field Theory (CFT). A consistency equation, which gives a classification of twists, is written and solved in particular cases. This generalises old results on twisted torus boundary conditions, gives a physical interpretation of Ocneanu's algebraic construction, and might offer a new route to the study of properties of CFT.

  7. Twisted network programming essentials

    CERN Document Server

    Fettig, Abe

    2005-01-01

    Twisted Network Programming Essentials from O'Reilly is a task-oriented look at this new open source, Python-based technology. The book begins with recommendations for various plug-ins and add-ons to enhance the basic package as installed. It then details Twisted's collection simple network protocols, and helper utilities. The book also includes projects that let you try out the Twisted framework for yourself. For example, you'll find examples of using Twisted to build web services applications using the REST architecture, using XML-RPC, and using SOAP. Written for developers who want to s

  8. Twisted classical Poincare algebras

    International Nuclear Information System (INIS)

    Lukierski, J.; Ruegg, H.; Tolstoy, V.N.; Nowicki, A.

    1993-11-01

    We consider the twisting of Hopf structure for classical enveloping algebra U(g), where g is the inhomogeneous rotations algebra, with explicite formulae given for D=4 Poincare algebra (g=P 4 ). The comultiplications of twisted U F (P 4 ) are obtained by conjugating primitive classical coproducts by F element of U(c)xU(c), where c denotes any Abelian subalgebra of P 4 , and the universal R-matrices for U F (P 4 ) are triangular. As an example we show that the quantum deformation of Poincare algebra recently proposed by Chaichian and Demiczev is a twisted classical Poincare algebra. The interpretation of twisted Poincare algebra as describing relativistic symmetries with clustered 2-particle states is proposed. (orig.)

  9. Twists of Elliptic Curves

    Science.gov (United States)

    Kronberg, Max; Soomro, Muhammad Afzal; Top, Jaap

    2017-10-01

    In this note we extend the theory of twists of elliptic curves as presented in various standard texts for characteristic not equal to two or three to the remaining characteristics. For this, we make explicit use of the correspondence between the twists and the Galois cohomology set H^1\\big({G}_{\\overline{K}/K}, \\operatorname{Aut}_{\\overline{K}}(E)\\big). The results are illustrated by examples.

  10. Twisted radio waves and twisted thermodynamics.

    Science.gov (United States)

    Kish, Laszlo B; Nevels, Robert D

    2013-01-01

    We present and analyze a gedanken experiment and show that the assumption that an antenna operating at a single frequency can transmit more than two independent information channels to the far field violates the Second Law of Thermodynamics. Transmission of a large number of channels, each associated with an angular momenta 'twisted wave' mode, to the far field in free space is therefore not possible.

  11. A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures

    KAUST Repository

    Chen, Xiankai

    2017-10-17

    In the traditional molecular design of thermally activated delayed fluorescence (TADF) emitters composed of electron-donor and electron-acceptor moieties, achieving a small singlet-triplet energy gap (ΔEST ) in strongly twisted structures usually translates into a small fluorescence oscillator strength, which can significantly decrease the emission quantum yield and limit efficiency in organic light-emitting diode devices. Here, based on the results of quantum-chemical calculations on TADF emitters composed of carbazole donor and 2,4,6-triphenyl-1,3,5-triazine acceptor moieties, a new strategy is proposed for the molecular design of efficient TADF emitters that combine a small ΔEST with a large fluorescence oscillator strength. Since this strategy goes beyond the traditional framework of structurally twisted, charge-transfer type emitters, importantly, it opens the way for coplanar molecules to be efficient TADF emitters. Here, a new emitter, composed of azatriangulene and diphenyltriazine moieties, is theoretically designed, which is coplanar due to intramolecular H-bonding interactions. The synthesis of this hexamethylazatriangulene-triazine (HMAT-TRZ) emitter and its preliminary photophysical characterizations point to HMAT-TRZ as a potential efficient TADF emitter.

  12. SpaceTwist

    DEFF Research Database (Denmark)

    Yiu, Man Lung; Jensen, Christian Søndergaard; Xuegang, Huang

    2008-01-01

    -based matching generally fall short in offering practical query accuracy guarantees. Our proposed framework, called SpaceTwist, rectifies these shortcomings for k nearest neighbor (kNN) queries. Starting with a location different from the user's actual location, nearest neighbors are retrieved incrementally...

  13. Twisted Winged Endoparasitoids

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 10. Twisted Winged Endoparasitoids - An Enigma for Entomologists. Alpana Mazumdar. General Article Volume 9 Issue 10 October 2004 pp 19-24. Fulltext. Click here to view fulltext PDF. Permanent link:

  14. Twisted Gauge Theories

    Science.gov (United States)

    Aschieri, Paolo; Dimitrijević, Marija; Meyer, Frank; Schraml, Stefan; Wess, Julius

    2006-10-01

    Gauge theories on a space-time that is deformed by the Moyal-Weyl product are constructed by twisting the coproduct for gauge transformations. This way a deformed Leibniz rule is obtained, which is used to construct gauge invariant quantities. The connection will be enveloping algebra valued in a particular representation of the Lie algebra. This gives rise to additional fields, which couple only weakly via the deformation parameter θ and reduce in the commutative limit to free fields. Consistent field equations that lead to conservation laws are derived and some properties of such theories are discussed.

  15. Twisting of paramodular vectors

    OpenAIRE

    Johnson-Leung, Jennifer; Roberts, Brooks

    2013-01-01

    Let $F$ be a non-archimedean local field of characteristic zero, let $(\\pi,V)$ be an irreducible, admissible representation of $\\GSp(4,F)$ with trivial central character, and let $\\chi$ be a quadratic character of $F^\\times$ with conductor $c(\\chi)>1$. We define a twisting operator $T_\\chi$ from paramodular vectors for $\\pi$ of level $n$ to paramodular vectors for $\\chi \\otimes \\pi$ of level $\\max(n+2c(\\chi),4c(\\chi))$, and prove that this operator has properties analogous to the well-known $...

  16. Twisted mass lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Shindler, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2007-07-15

    I review the theoretical foundations, properties as well as the simulation results obtained so far of a variant of the Wilson lattice QCD formulation: Wilson twisted mass lattice QCD. Emphasis is put on the discretization errors and on the effects of these discretization errors on the phase structure for Wilson-like fermions in the chiral limit. The possibility to use in lattice simulations different lattice actions for sea and valence quarks to ease the renormalization patterns of phenomenologically relevant local operators, is also discussed. (orig.)

  17. Spinning geometry = Twisted geometry

    International Nuclear Information System (INIS)

    Freidel, Laurent; Ziprick, Jonathan

    2014-01-01

    It is well known that the SU(2)-gauge invariant phase space of loop gravity can be represented in terms of twisted geometries. These are piecewise-linear-flat geometries obtained by gluing together polyhedra, but the resulting geometries are not continuous across the faces. Here we show that this phase space can also be represented by continuous, piecewise-flat three-geometries called spinning geometries. These are composed of metric-flat three-cells glued together consistently. The geometry of each cell and the manner in which they are glued is compatible with the choice of fluxes and holonomies. We first remark that the fluxes provide each edge with an angular momentum. By studying the piecewise-flat geometries which minimize edge lengths, we show that these angular momenta can be literally interpreted as the spin of the edges: the geometries of all edges are necessarily helices. We also show that the compatibility of the gluing maps with the holonomy data results in the same conclusion. This shows that a spinning geometry represents a way to glue together the three-cells of a twisted geometry to form a continuous geometry which represents a point in the loop gravity phase space. (paper)

  18. Twisting perturbed parafermions

    Directory of Open Access Journals (Sweden)

    A.V. Belitsky

    2017-07-01

    Full Text Available The near-collinear expansion of scattering amplitudes in maximally supersymmetric Yang–Mills theory at strong coupling is governed by the dynamics of stings propagating on the five sphere. The pentagon transitions in the operator product expansion which systematize the series get reformulated in terms of matrix elements of branch-point twist operators in the two-dimensional O(6 nonlinear sigma model. The facts that the latter is an asymptotically free field theory and that there exists no local realization of twist fields prevents one from explicit calculation of their scaling dimensions and operator product expansion coefficients. This complication is bypassed making use of the equivalence of the sigma model to the infinite-level limit of WZNW models perturbed by current–current interactions, such that one can use conformal symmetry and conformal perturbation theory for systematic calculations. Presently, to set up the formalism, we consider the O(3 sigma model which is reformulated as perturbed parafermions.

  19. How to Twist a Knot

    DEFF Research Database (Denmark)

    Randrup, Thomas; Røgen, Peter

    1997-01-01

    is an invariant of ambient isotopy measuring the topological twist of the closed strip. We classify closed strips in euclidean 3-space by their knots and their twisting number. We prove that this classification exactly divides closed strips into isotopy classes. Using this classification we point out how some...

  20. How to Twist a Knot

    DEFF Research Database (Denmark)

    Randrup, Thomas; Røgen, Peter

    1996-01-01

    is an invariant of ambient isotopy measuring the topological twist of the closed strip. We classify closed strips in euclidean 3-space by their knots and their twisting number. We prove that this classification exactly divides closed strips into isotopy classes. Using this classification we point out how some...

  1. Twisting formula of epsilon factors

    Indian Academy of Sciences (India)

    For characters of a non-Archimedean local field we have explicit formula for epsilon factors. But in general, we do not have any generalized twisting formula of epsilon factors. In this paper, we give a generalized twisting formula of epsilon factorsvia local Jacobi sums.

  2. Symmetry of intramolecular quantum dynamics

    CERN Document Server

    Burenin, Alexander V

    2012-01-01

    The main goal of this book is to give a systematic description of intramolecular quantum dynamics on the basis of only the symmetry principles. In this respect, the book has no analogs in the world literature. The obtained models lead to a simple, purely algebraic, scheme of calculation and are rigorous in the sense that their correctness is limited only to the correct choice of symmetry of the internal dynamics. The book is basically intended for scientists working in the field of molecular spectroscopy, quantum and structural chemistry.

  3. Charge transfer state induced from locally excited state by polar solvent

    Science.gov (United States)

    Sun, Mengtao

    2005-06-01

    The photophysical properties of the novel perylene imide (Pi) and oligo-pentaphenyl bisfluorene (pPh) containing molecule have been investigated by quantum chemical methods. It is concluded that the first excited singlet state in the gas is the locally excited state; while the lowest excited state in polar solvents is the intramolecular charge transfer (ICT) state, which corresponds to the ICT from pPh to Pi. This excited state in the polar solvent adopts a planar geometry, in marked contrast to the twisted geometry in the gas phase. The planar geometry in the polar solvent significantly delocalized densities of HOMOs, compared to those in the gas phase, but the influence of the planar geometry to densities of LUMO is very small. Overall, the computed results remain in good agreement with the relevant experimental data.

  4. Windings of twisted strings

    Science.gov (United States)

    Casali, Eduardo; Tourkine, Piotr

    2018-03-01

    Twistor string models have been known for more than a decade now but have come back under the spotlight recently with the advent of the scattering equation formalism which has greatly generalized the scope of these models. A striking ubiquitous feature of these models has always been that, contrary to usual string theory, they do not admit vibrational modes and thus describe only conventional field theory. In this paper we report on the surprising discovery of a whole new sector of one of these theories which we call "twisted strings," when spacetime has compact directions. We find that the spectrum is enhanced from a finite number of states to an infinite number of interacting higher spin massive states. We describe both bosonic and world sheet supersymmetric models, their spectra and scattering amplitudes. These models have distinctive features of both string and field theory, for example they are invariant under stringy T-duality but have the high energy behavior typical of field theory. Therefore they describe a new kind of field theories in target space, sitting on their own halfway between string and field theory.

  5. Nature of weak inter- and intramolecular interactions in crystals. Communication 5. Interactions Na...H-B in a crystal of sodium salt of charge compensated nido-carborane [9-SMe2-7,8-C2B9H10]-

    International Nuclear Information System (INIS)

    Lysenko, K.A.; Golovanov, D.G.; Meshcheryakov, V.I.; Kudinov, A.R.; Antipin, M.Yu.

    2005-01-01

    The character of electron density distribution in the C 2 B 3 open face, the influence of the SMe 2 group on the character of electron density distribution, and the nature of the sodium-anion interaction were studied based on the data of high-resolution X-ray diffraction study of crystals of the sodium salt of charge-compensated nido-carborane [9-SMe 2 -7,8- C 2 B 9 H 10 ] - and quantum-chemical calculations for the Na...H-B-bonded dimer, the isolated [9-SMe 2 -7,8-C 2 B 9 H 10 ] - anion, and the [7,8-C 2 B 9 H 10 ] 2- dianion. The character of electron density distribution in the C 2 B 3 open face is analogous to the electron distribution in the cyclopentadienyl ligand. In nido-carborane, a substantial charge redistribution takes place compared to that observed in the closo analogs. The topological analysis of the electron density distribution function demonstrated that the cation-anion interactions are determined predominantly by Na...H-B contacts. The total energy of these contacts in the {[9-SMe 2 -7,8-C 2 B 9 H 10 ]Na(thf) 2 } 2 dimer estimated from X-ray diffraction data is 11.74 kcal mol -1 [ru

  6. Structural and electronic transformation in low-angle twisted bilayer graphene

    Science.gov (United States)

    Gargiulo, Fernando; Yazyev, Oleg V.

    2018-01-01

    Experiments on bilayer graphene unveiled a fascinating realization of stacking disorder where triangular domains with well-defined Bernal stacking are delimited by a hexagonal network of strain solitons. Here we show by means of numerical simulations that this is a consequence of a structural transformation of the moiré pattern inherent to twisted bilayer graphene taking place at twist angles θ below a crossover angle θ\\star=1.2\\circ . The transformation is governed by the interplay between the interlayer van der Waals interaction and the in-plane strain field, and is revealed by a change in the functional form of the twist energy density. This transformation unveils an electronic regime characteristic of vanishing twist angles in which the charge density converges, though not uniformly, to that of ideal bilayer graphene with Bernal stacking. On the other hand, the stacking domain boundaries form a distinct charge density pattern that provides the STM signature of the hexagonal solitonic network.

  7. Regular non-twisting S-branes

    International Nuclear Information System (INIS)

    Obregon, Octavio; Quevedo, Hernando; Ryan, Michael P.

    2004-01-01

    We construct a family of time and angular dependent, regular S-brane solutions which corresponds to a simple analytical continuation of the Zipoy-Voorhees 4-dimensional vacuum spacetime. The solutions are asymptotically flat and turn out to be free of singularities without requiring a twist in space. They can be considered as the simplest non-singular generalization of the singular S0-brane solution. We analyze the properties of a representative of this family of solutions and show that it resembles to some extent the asymptotic properties of the regular Kerr S-brane. The R-symmetry corresponds, however, to the general lorentzian symmetry. Several generalizations of this regular solution are derived which include a charged S-brane and an additional dilatonic field. (author)

  8. Twist1- and Twist2-haploinsufficiency results in reduced bone formation.

    Directory of Open Access Journals (Sweden)

    Yanyu Huang

    Full Text Available Twist1 and Twist2 are highly homologous bHLH transcription factors that exhibit extensive highly overlapping expression profiles during development. While both proteins have been shown to inhibit osteogenesis, only Twist1 haploinsufficiency is associated with the premature synostosis of cranial sutures in mice and humans. On the other hand, biallelic Twist2 deficiency causes only a focal facial dermal dysplasia syndrome or additional cachexia and perinatal lethality in certain mouse strains. It is unclear how these proteins cooperate to synergistically regulate bone formation.Twist1 floxed mice (Twist1(f/f were bred with Twist2-Cre knock-in mice (Twist2(Cre/+ to generate Twist1 and Twist2 haploinsufficient mice (Twist1(f/+; Twist2(Cre/+. X-radiography, micro-CT scans, alcian blue/alizarin red staining, trap staining, BrdU labeling, immunohistochemistry, in situ hybridizations, real-time PCR and dual luciferase assay were employed to investigate the overall skeletal defects and the bone-associated molecular and cellular changes of Twist1(f/+;Twist2(Cre/+ mice.Twist1 and Twist2 haploinsufficient mice did not present with premature ossification and craniosynostosis; instead they displayed reduced bone formation, impaired proliferation and differentiation of osteoprogenitors. These mice exhibited decreased expressions of Fgf2 and Fgfr1-4 in bone, resulting in a down-regulation of FGF signaling. Furthermore, in vitro studies indicated that both Twist1 and Twist2 stimulated 4.9 kb Fgfr2 promoter activity in the presence of E12, a Twist binding partner.These data demonstrated that Twist1- and Twist2-haploinsufficiency caused reduced bone formation due to compromised FGF signaling.

  9. Intramolecular Association within the SAFT Framework

    DEFF Research Database (Denmark)

    Avlund, Ane Søgaard; Kontogeorgis, Georgios; Chapman, Walter G.

    2011-01-01

    the contribution to the Helmholtz free energy from association (inter- as well as intramolecularly) at equilibrium. Sear and Jackson rederived the contribution to the Helmholtz free energy from association from the theory by Wertheim [J. Stat. Phys. 42 (3–4), 459 (1986)] with inclusion of intramolecular...... association, and using this approach we obtain an expression for the Helmholtz free energy that is valid also at non-equilibrium states (with respect to hydrogen bonds), which is very useful when calculating derivatives.......A general theory for modelling intramolecular association within the SAFT framework is proposed. Sear and Jackson [Phys. Rev. E. 50 (1), 386 (1994)] and Ghonasgi and Chapman [J. Chem. Phys. 102 (6), 2585 (1995)] have previously extended SAFT to include intramolecular association for chains with two...

  10. "Oliver Twist": A Teacher's Guide.

    Science.gov (United States)

    Cashion, Carol; Fischer, Diana

    This teacher's guide for public television's 3-part adaptation of Charles Dickens's "Oliver Twist" provides information that will help enrich students' viewing of the series, whether or not they read the novel. The guide includes a wide range of discussion and activity ideas; there is also a series Web site and a list of Web resources.…

  11. Waveguides with asymptotically diverging twisting

    Czech Academy of Sciences Publication Activity Database

    Krejčiřík, David

    2015-01-01

    Roč. 46, AUG (2015), s. 7-10 ISSN 0893-9659 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : quantum waveguide * exploding twisting * Quasi-bounded * Quasi-cylindrical * discrete spectrum Subject RIV: BE - Theoretical Physics Impact factor: 1.659, year: 2015

  12. Obstructions for twist star products

    Science.gov (United States)

    Bieliavsky, Pierre; Esposito, Chiara; Waldmann, Stefan; Weber, Thomas

    2018-05-01

    In this short note, we point out that not every star product is induced by a Drinfel'd twist by showing that not every Poisson structure is induced by a classical r-matrix. Examples include the higher genus symplectic Pretzel surfaces and the symplectic sphere S^2.

  13. Influence of Intramolecular Charge Transfer and Nuclear Quantum Effects on Intramolecular Hydrogen Bonds in Azopyrimidines

    Czech Academy of Sciences Publication Activity Database

    Bártová, Kateřina; Čechová, Lucie; Procházková, Eliška; Socha, Ondřej; Janeba, Zlatko; Dračínský, Martin

    2017-01-01

    Roč. 82, č. 19 (2017), s. 10350-10359 ISSN 0022-3263 R&D Projects: GA ČR GA15-11223S Institutional support: RVO:61388963 Keywords : pyrimidines * NMR spectroscopy * DFT calculations Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 4.849, year: 2016

  14. Twist buckling behavior of arteries.

    Science.gov (United States)

    Garcia, Justin R; Lamm, Shawn D; Han, Hai-Chao

    2013-10-01

    Arteries are often subjected to torsion due to body movement and surgical procedures. While it is essential that arteries remain stable and patent under twisting loads, the stability of arteries under torsion is poorly understood. The goal of this work was to experimentally investigate the buckling behavior of arteries under torsion and to determine the critical buckling torque, the critical buckling twist angle, and the buckling shape. Porcine common carotid arteries were slowly twisted in vitro until buckling occurred while subjected to a constant axial stretch ratio (1.1, 1.3, 1.5 (in vivo level) and 1.7) and lumen pressure (20, 40, 70 and 100 mmHg). Upon buckling, the arteries snapped to form a kink. For a group of six arteries, the axial stretch ratio significantly affected the critical buckling torque ([Formula: see text]) and the critical buckling twist angle ([Formula: see text]). Lumen pressure also significantly affected the critical buckling torque ([Formula: see text]) but had no significant effect on the critical twist angle ([Formula: see text]). Convex material constants for a Fung strain energy function were determined and fit well with the axial force, lumen pressure, and torque data measured pre-buckling. The material constants are valid for axial stretch ratios, lumen pressures, and rotation angles of 1.3-1.5, 20-100 mmHg, and 0-270[Formula: see text], respectively. The current study elucidates the buckling behavior of arteries under torsion and provides new insight into mechanical instability of blood vessels.

  15. Noncommutative geometry and twisted conformal symmetry

    International Nuclear Information System (INIS)

    Matlock, Peter

    2005-01-01

    The twist-deformed conformal algebra is constructed as a Hopf algebra with twisted coproduct. This allows for the definition of conformal symmetry in a noncommutative background geometry. The twisted coproduct is reviewed for the Poincare algebra and the construction is then extended to the full conformal algebra. The case of Moyal-type noncommutativity of the coordinates is considered. It is demonstrated that conformal invariance need not be viewed as incompatible with noncommutative geometry; the noncommutativity of the coordinates appears as a consequence of the twisting, as has been shown in the literature in the case of the twisted Poincare algebra

  16. Excited State Structural Dynamics of Carotenoids and Charge Transfer Systems

    International Nuclear Information System (INIS)

    Van Tassle, Aaron Justin

    2006-01-01

    This dissertation describes the development and implementation of a visible/near infrared pump/mid-infrared probe apparatus. Chapter 1 describes the background and motivation of investigating optically induced structural dynamics, paying specific attention to solvation and the excitation selection rules of highly symmetric molecules such as carotenoids. Chapter 2 describes the development and construction of the experimental apparatus used throughout the remainder of this dissertation. Chapter 3 will discuss the investigation of DCM, a laser dye with a fluorescence signal resulting from a charge transfer state. By studying the dynamics of DCM and of its methyl deuterated isotopomer (an otherwise identical molecule), we are able to investigate the origins of the charge transfer state and provide evidence that it is of the controversial twisted intramolecular (TICT) type. Chapter 4 introduces the use of two-photon excitation to the S1 state, combined with one-photon excitation to the S2 state of the carotenoid beta-apo-8'-carotenal. These 2 investigations show evidence for the formation of solitons, previously unobserved in molecular systems and found only in conducting polymers Chapter 5 presents an investigation of the excited state dynamics of peridinin, the carotenoid responsible for the light harvesting of dinoflagellates. This investigation allows for a more detailed understanding of the importance of structural dynamics of carotenoids in light harvesting

  17. Effective potentials for twisted fields

    International Nuclear Information System (INIS)

    Banach, R.

    1981-01-01

    Minus the density of the effective action, evaluated at the lowest eigenfunction of the (space-time) derivative part of the second (functional) derivative of the classical action, is proposed as a generalised definition of the effective potential, applicable to twisted as well as untwisted sectors of a field theory. The proposal is corroborated by several specific calculations in the twisted sector, namely phi 4 theory (real and complex) and wrong-sign-Gordon theory, in an Einstein cylinder, where the exact integrability of the static solutions confirms the effective potential predictions. Both models exhibit a phase transition, which the effective potential locates, and the one-loop quantum shift in the critical radius is computed for the real phi 4 model, being a universal result. Topological mass generation at the classical level is pointed out, and the exactness of the classical effective potential approximation for complex phi 4 is discussed. (author)

  18. Twisting formula of epsilon factors

    Indian Academy of Sciences (India)

    Sazzad Ali Biswas

    2017-08-07

    Aug 7, 2017 ... In this article, we give a generalized twisting formula for ϵ(χ1χ2,ψ), when both χ1 and χ2 are ramified via the following local Jacobi sums. Let UF be the group of units in OF (ring of integers of F). For characters χ1, χ2 of F. × and a positive integer n, we define the local Jacobi sum. Jt(χ1,χ2, n) = ∑ x∈UF. Un.

  19. Sudden polarization effect in methyl-substituted twisted polyenes

    International Nuclear Information System (INIS)

    Baraldi, I.; Bruni, M.C.; Momicchioli, F.; Ponterini, G.

    1981-01-01

    Sudden polarization effect was investigated for a special type of nonsymmetric biradical systems, i.e. terminally twisted polyenes methyl substituted at the rotated CH 2 group. Systems with 2 to 4 conjugated double bonds were studied. Dipole moments of S 0 , S 1 and S 2 states were calculated within the framework of the INDO approximations, by using a dual basis of SCF MOs (open shell and closed shell) and performing differently sized CIs (selected with reference to the basic 3 x 3 CI biradical description). The resulting excited-state polarization characteristics (size and suddenness) are discussed with reference to the previously studied unsubstituted polyenes. In this respect the most important point is that CH 3 substitution at the terminal twisted methylene markedly enhances the polarization size (approximately 2D). This indicates that small perturbations occurring at one radical site may cause unexpectedly large changes in charge distributions of excited biradicals. (author)

  20. Effects of acid concentration on intramolecular charge transfer ...

    Indian Academy of Sciences (India)

    was ∼450 ps when we used a 299 nm laser diode (PLS-. 8-2-232, PicoQuant) as excitation source having pulse width ∼500 ps. In the present study and also in many previous studies,16–20 the short time constants obtained from LE fluorescence .... ports the experimental large blue shift in absorption and. P4C. Protonated ...

  1. Photoinduced intramolecular charge-transfer reactions in 4-amino-3 ...

    Indian Academy of Sciences (India)

    TECS

    Introduction. Since the first observation of dual fluorescence from .... Triple distilled water was used for making all aqueous solutions. 2.2 Steady-state and time-resolved spectral measurements. Absorption and emission spectra of AMBME were recorded on a ... a fuel injector and is controlled by a home-made pulsed valve ...

  2. Excited state intramolecular charge transfer reaction in 4-(1 ...

    Indian Academy of Sciences (India)

    Administrator

    The organization of the rest of the paper is as fol- lows. Experimental details are given in ... found to be bi-exponential functions of time with one short and one long time constants, the decay in non-polar solvents (such as hexane or heptane) was single-exponential with only one long time constant. In addition, the short time ...

  3. Excited state intramolecular charge transfer reaction of 4 ...

    Indian Academy of Sciences (India)

    Administrator

    In spite of the above discus- sion, conclusions drawn from this work remain un- altered as the calculation of average equilibrium constant (Keq) involves only the amplitudes of the decay components, not the reaction time constants. 4. Conclusion. To summarize, the replacement of the carbon atom para to the nitrogen atom ...

  4. Excited state intramolecular charge transfer reaction in non-aqueous ...

    Indian Academy of Sciences (India)

    is found to produce a linear increase of confined solvent viscosity but leads to a non-monotonic electrolyte concentration dependence of average .... does not participate in specific solute–solvent (such as. H-bondng) interaction.55–57 ..... tional resistance arising from the longer-ranged solute– solvent dipolar interaction and ...

  5. Photoinduced intramolecular charge-transfer reactions in 4-amino-3 ...

    Indian Academy of Sciences (India)

    Amrita Chakraborty1 Samiran Kar1 2 D N Nath3 Nikhil Guchhait1. Department of Chemistry, University of Calcutta, 92, A.P.C. Road, Kolkata 700 009; CHEMGEN Pharma International, Dr. Siemens Street, Bolck GP, Sector V, Salt Lake City, Kolkata 700 091; Department of Physical Chemistry, Indian Association for the ...

  6. Excited state intramolecular proton transfer (ESIPT) in dihydroxyphenyl anthracenes.

    Science.gov (United States)

    Wang, Yu-Hsuan; Wan, Peter

    2011-12-01

    The photochemistry of three 9-(dihydroxyphenyl)anthracenes 6-8 was studied in neat CH(3)CN and selected organic solvents, to investigate excited state intramolecular proton transfer (ESIPT) from the phenol to the anthracene moiety. In D(2)O-CH(3)CN mixtures, the observed deuterium exchange of 6-8 is consistent with water-mediated (formal) ESIPT process from the ortho phenolic OH to the 10'-position of the anthracene ring, giving rise to quinone methide (QM) intermediates 12-14. There is no ESIPT for the corresponding methoxy-substituted compounds. Introduction of an extra hydroxyl group onto the phenol ring at different positions led to a range of deuterium exchange quantum yields (Φ = 0.03 to 0.15). In addition to the anticipated ESIPT process to the 10'-position, in neat CH(3)CN and other organic solvents, 6 (but not 7 or 8) undergoes a clean photocyclization to give bridged product 19 in quantitative yield. The mechanism of this unique photocyclization may involve a direct ESIPT or a 1,4-hydrogen transfer from the ortho phenolic OH to the 9'-position of the anthracene ring, generating a zwitterion (20) or diradical (21) intermediate, respectively, followed by ring closure. Fluorescence studies of 6 in various solvents show the existence of both local excited and intramolecular charge transfer states whereas only the former was present for 7 and 8, offering a possible rationalization for the photocyclization pathway.

  7. Modeling and control of active twist aircraft

    Science.gov (United States)

    Cramer, Nicholas Bryan

    The Wright Brothers marked the beginning of powered flight in 1903 using an active twist mechanism as their means of controlling roll. As time passed due to advances in other technologies that transformed aviation the active twist mechanism was no longer used. With the recent advances in material science and manufacturability, the possibility of the practical use of active twist technologies has emerged. In this dissertation, the advantages and disadvantages of active twist techniques are investigated through the development of an aeroelastic modeling method intended for informing the designs of such technologies and wind tunnel testing to confirm the capabilities of the active twist technologies and validate the model. Control principles for the enabling structural technologies are also proposed while the potential gains of dynamic, active twist are analyzed.

  8. Twisting dependent properties of twisted carbon nanotube fibers: microstructure and strain transfer factors

    International Nuclear Information System (INIS)

    Zhou, Jinyuan; Xie, Erqing; Sun, Gengzhi; Zhan, Zhaoyao; Zheng, Lianxi

    2014-01-01

    The dependences of twisting parameters on the electric and mechanical properties of twisted CNT fibers were systematically studied. Results from electric and mechanical measurements showed that twisting intensity is very effective to improve the electric and mechanical properties of CNT fibers. Further calculations combined with Raman results indicate that the twisting treatments, to a certain extent, can greatly enhance the strain transfer factors of the samples, which dominates the mechanical properties of CNT fibers. In addition, studies on the effect of twisting speeds suggested that lower twisting speed can lead to higher uniformity but lower performances in the electric and mechanical properties, higher twisting speed to higher Young’s modulus and higher conductance but lower uniformities. Ultra-strong uniform CNT fibers need to be prepared with a suitable twisting speed. (paper)

  9. Intramolecular energy transfer and the driving mechanisms for large-amplitude collective motions of clusters

    Science.gov (United States)

    Yanao, Tomohiro; Koon, Wang Sang; Marsden, Jerrold E.

    2009-04-01

    This paper uncovers novel and specific dynamical mechanisms that initiate large-amplitude collective motions in polyatomic molecules. These mechanisms are understood in terms of intramolecular energy transfer between modes and driving forces. Structural transition dynamics of a six-atom cluster between a symmetric and an elongated isomer is highlighted as an illustrative example of what is a general message. First, we introduce a general method of hyperspherical mode analysis to analyze the energy transfer among internal modes of polyatomic molecules. In this method, the (3n-6) internal modes of an n-atom molecule are classified generally into three coarse level gyration-radius modes, three fine level twisting modes, and (3n-12) fine level shearing modes. We show that a large amount of kinetic energy flows into the gyration-radius modes when the cluster undergoes structural transitions by changing its mass distribution. Based on this fact, we construct a reactive mode as a linear combination of the three gyration-radius modes. It is shown that before the reactive mode acquires a large amount of kinetic energy, activation or inactivation of the twisting modes, depending on the geometry of the isomer, plays crucial roles for the onset of a structural transition. Specifically, in a symmetric isomer with a spherical mass distribution, activation of specific twisting modes drives the structural transition into an elongated isomer by inducing a strong internal centrifugal force, which has the effect of elongating the mass distribution of the system. On the other hand, in an elongated isomer, inactivation of specific twisting modes initiates the structural transition into a symmetric isomer with lower potential energy by suppressing the elongation effect of the internal centrifugal force and making the effects of the potential force dominant. This driving mechanism for reactions as well as the present method of hyperspherical mode analysis should be widely applicable to

  10. DVCS amplitude with kinematical twist-3 terms

    International Nuclear Information System (INIS)

    Radyushkin, A.V.; Weiss, C.

    2000-01-01

    The authors compute the amplitude of deeply virtual Compton scattering (DVCS) using the calculus of QCD string operators in coordinate representation. To restore the electromagnetic gauge invariance (transversality) of the twist-2 amplitude they include the operators of twist-3 which appear as total derivatives of twist-2 operators. The results are equivalent to a Wandzura-Wilczek approximation for twist-3 skewed parton distributions. They find that this approximation gives a finite result for the amplitude of a longitudinally polarized virtual photon, while the amplitude for transverse polarization is divergent, i.e., factorization breaks down in this term

  11. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    The harmonic oscillator model of aromaticity (HOMA) index elucidated the impact of hydrogen bond- ing in the ring. Intramolecular hydrogen bonding energy has been calculated from topological study. The low wavenumber vibrational modes obtained from experimental FT-Raman spectrum also supported the presence.

  12. Solvent control of intramolecular proton transfer

    DEFF Research Database (Denmark)

    Manolova, Y.; Marciniak, Heinz; Tschierlei, S.

    2017-01-01

    of molecules in the enol and zwitterionic proton transfer (PT) form exists in the ground state. However, the zwitterion is the energetically favored one in the electronically excited state. Optical excitation of the enol form results in intramolecular proton transfer and formation of the PT form within 1.4 ps...

  13. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    An extensive theoretical study on the molecular structure and vibrational analysis of 3-amino-4- methoxy benzamide (3A4MBA) was undertaken using density functional theoretical (DFT) method. The possibility of formation of intramolecular hydrogen bonding was identified from structural parameter analysis and confirmed ...

  14. Structural, intramolecular hydrogen bonding and vibrational studies

    Indian Academy of Sciences (India)

    An extensive theoretical study on the molecular structure and vibrational analysis of 3-amino-4- methoxy benzamide (3A4MBA) was undertaken using density functional theoretical (DFT) method. The possibility of formation of intramolecular hydrogen bonding was identified from structural parameter analysis and confirmed ...

  15. Photoswitchable Intramolecular H-Stacking of Perylenebisimide

    NARCIS (Netherlands)

    Wang, Jiaobing; Kulago, Artem; Browne, Wesley R.; Feringa, Ben L.

    2010-01-01

    Dynamic control over the formation of H- or J-type aggregates of chromophores is of fundamental importance for developing responsive organic optoelectronic materials. In this study, the first example of photoswitching between a nonstacked and an intramolecularly H-stacked arrangement of

  16. Structural, intramolecular hydrogen bonding and vibrational studies ...

    Indian Academy of Sciences (India)

    The harmonic oscillator model of aromaticity (HOMA) index elucidated the impact of hydrogen bond- ing in the ring. Intramolecular hydrogen ... (Figure 3). The total ener- gies obtained for these possible conformers are listed in Table 1. ..... Structure, Reactivity and Intermolecular Forces: An. Euristic Interpretation by Means of ...

  17. Google and the "Twisted Cyber Spy" Affair: US-Chinese Communication in an Age of Globalization

    Science.gov (United States)

    Hartnett, Stephen John

    2011-01-01

    The "twisted cyber spy" affair began in 2010, when Google was attacked by Chinese cyber-warriors charged with stealing Google's intellectual property, planting viruses in its computers, and hacking the accounts of Chinese human rights activists. In the ensuing international embroglio, the US mainstream press, corporate leaders, and White…

  18. Twist-stretch profiles of DNA chains

    Science.gov (United States)

    Zoli, Marco

    2017-06-01

    Helical molecules change their twist number under the effect of a mechanical load. We study the twist-stretch relation for a set of short DNA molecules modeled by a mesoscopic Hamiltonian. Finite temperature path integral techniques are applied to generate a large ensemble of possible configurations for the base pairs of the sequence. The model also accounts for the bending and twisting fluctuations between adjacent base pairs along the molecules stack. Simulating a broad range of twisting conformation, we compute the helix structural parameters by averaging over the ensemble of base pairs configurations. The method selects, for any applied force, the average twist angle which minimizes the molecule’s free energy. It is found that the chains generally over-twist under an applied stretching and the over-twisting is physically associated to the contraction of the average helix diameter, i.e. to the damping of the base pair fluctuations. Instead, assuming that the maximum amplitude of the bending fluctuations may decrease against the external load, the DNA molecule first over-twists for weak applied forces and then untwists above a characteristic force value. Our results are discussed in relation to available experimental information albeit for kilo-base long molecules.

  19. Large N reduction on a twisted torus

    International Nuclear Information System (INIS)

    Gonzalez-Arroyo, A.; Narayanan, R.; Neuberger, H.

    2005-01-01

    We consider SU(N) lattice gauge theory at infinite N defined on a torus with a CP invariant twist. Massless fermions are incorporated in an elegant way, while keeping them quenched. We present some numerical results which suggest that twisting can make numerical simulations of planar QCD more efficient

  20. Energetics Underlying Twist Polymorphisms in Amyloid Fibrils

    NARCIS (Netherlands)

    Periole, Xavier; Huber, Thomas; Bonito-Oliva, Alessandra; Aberg, Karina C; van der Wel, Patrick C A; Sakmar, Thomas P; Marrink, Siewert J

    2018-01-01

    Amyloid fibrils are highly ordered protein aggregates associated with more than 40 human diseases. The exact conditions in which the fibrils are grown determine many types of reported fibril polymorphism, including different twist patterns. Twist-based polymorphs display unique mechanical properties

  1. Twist buckling of veins under torsional loading.

    Science.gov (United States)

    Garcia, Justin R; Sanyal, Arnav; Fatemifar, Fatemeh; Mottahedi, Mohammad; Han, Hai-Chao

    2017-06-14

    Veins are often subjected to torsion and twisted veins can hinder and disrupt normal blood flow but their mechanical behavior under torsion is poorly understood. The objective of this study was to investigate the twist deformation and buckling behavior of veins under torsion. Twist buckling tests were performed on porcine internal jugular veins (IJVs) and human great saphenous veins (GSVs) at various axial stretch ratio and lumen pressure conditions to determine their critical buckling torques and critical buckling twist angles. The mechanical behavior under torsion was characterized using a two-fiber strain energy density function and the buckling behavior was then simulated using finite element analysis. Our results demonstrated that twist buckling occurred in all veins under excessive torque characterized by a sudden kink formation. The critical buckling torque increased significantly with increasing lumen pressure for both porcine IJV and human GSV. But lumen pressure and axial stretch had little effect on the critical twist angle. The human GSVs are stiffer than the porcine IJVs. Finite element simulations captured the buckling behavior for individual veins under simultaneous extension, inflation, and torsion with strong correlation between predicted critical buckling torques and experimental data (R 2 =0.96). We conclude that veins can buckle under torsion loading and the lumen pressure significantly affects the critical buckling torque. These results improve our understanding of vein twist behavior and help identify key factors associated in the formation of twisted veins. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Modeling and computations of the intramolecular electron transfer process in the two-heme protein cytochrome c4

    DEFF Research Database (Denmark)

    Natzmutdinov, Renat R.; Bronshtein, Michael D.; Zinkicheva, Tamara T.

    2012-01-01

    ligands in both low- and high-spin states by structure-optimized DFT. The computations enable estimating the intramolecular reorganization energy of the ET process for different combinations of low- and high-spin heme couples. Environmental reorganization free energies, work terms (‘‘gating’’) and driving...... performed computational modeling of the intramolecular ET process by a combination of density functional theory (DFT) and quantum mechanical charge transfer theory to disclose reasons for this difference. We first address the electronic structures of the model heme core with histidine and methionine axial...

  3. Intramolecular and Transannular Diels-Alder Reactions

    DEFF Research Database (Denmark)

    Tanner, David Ackland; Ascic, Erhad

    2014-01-01

    Few reactions can compete with the Diels-Alder (DA) [4+2] cycloaddition for the rapid and efficient generation of molecular complexity. The DA reaction is atom-economic and stereospecific, as well as diastereo- and regioselective. The intramolecular version (IMDA) of the DA cycloaddition and its...... and dienophile, methods for acceleration of IMDA reactions (such as use of high pressure) and catalysis (using oxophilic or carbophilic metal complexes, Brønsted acids, and enzymes). The use of furans as diene components (IMDAF), intramolecular hetero-DA (IMHDA) and IMDA reactions with inverse electron demand...... are also covered. Applications of IMDA to asymmetric synthesis (from substrate control through to enantioselective catalysis, including organocatalysis) are presented, along with tandem sequences involving IMDA cycloaddition. A theme pervading the whole chapter is the use of IMDA reactions for the total...

  4. Pulse radiolytic and electrochemical investigations of intramolecular electron transfer in carotenoporphyrins and carotenoporphyrin-quinone triads

    International Nuclear Information System (INIS)

    Land, E.J.; Lexa, D.; Bensasson, R.V.; Gust, D.; Moore, T.A.; Moore, A.L.; Liddell, P.A.; Nemeth, G.A.

    1987-01-01

    Thermodynamic and kinetic aspects of intramolecular electron-transfer reactions in carotenoporphyrin dyads and carotenoid-porphyrin-quinone triads have been studied by using pulse radiolysis and cyclic voltammetry. Rapid (<1 μs) electron transfer from carotenoid radical anions to attached porphyrins has been inferred. Carotenoid cations, on the other hand, do not readily accept electrons from attached porphyrins or pyropheophorbides. Electrochemical studies provide the thermodynamic basis for these observations and also allow estimation of the energetics of photoinitiated two-step electron transfer and two-step charge recombination in triad models for photosynthetic charge separation

  5. Folded supersymmetry with a twist

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Timothy [Department of Physics, Princeton University,Princeton, NJ 08544 (United States); School of Natural Sciences, Institute for Advanced Study,Princeton, NJ 08540 (United States); Institute of Theoretical Science, University of Oregon,Eugene, OR 97403 (United States); Craig, Nathaniel [Department of Physics, University of California,Santa Barbara, CA 93106 (United States); Lou, Hou Keong [Department of Physics, Princeton University,Princeton, NJ 08544 (United States); Pinner, David [Princeton Center for Theoretical Science, Princeton University,Princeton, NJ 08544 (United States)

    2016-03-30

    Folded supersymmetry (f-SUSY) stabilizes the weak scale against radiative corrections from the top sector via scalar partners whose gauge quantum numbers differ from their Standard Model counterparts. This non-trivial pairing of states can be realized in extra-dimensional theories with appropriate supersymmetry-breaking boundary conditions. We present a class of calculable f-SUSY models that are parametrized by a non-trivial twist in 5D boundary conditions and can accommodate the observed Higgs mass and couplings. Although the distinctive phenomenology associated with the novel folded states should provide strong evidence for this mechanism, the most stringent constraints are currently placed by conventional supersymmetry searches. These models remain minimally fine-tuned in light of LHC8 data and provide a range of both standard and exotic signatures accessible at LHC13.

  6. Intramolecular Energy Relaxation and Statistical Rate Theory

    OpenAIRE

    Okitsugu, KAJIMOTO; Department of Chemistry, Kyoto University

    1994-01-01

    Statistical rate theory is essentially based on the state counting without any restrictions other than the energy and the angular momentum conservation. In this work, two kinds of restrictions are introduced into the statistical theory. The first restriction is related to the intramolecular energy flow within the reacting molecular system. The excess energy of reaction is made distributed with some bias favoring a specific degree of freedom. That is, the statistical weight of each product sta...

  7. Naked eye picometer resolution in a Michelson interferometer using conjugated twisted beams.

    Science.gov (United States)

    Emile, Olivier; Emile, Janine

    2017-01-15

    Michelson interferometry is one of the most widely used techniques for accuracy measurements. Its main characteristic feature is to infer a displacement in one of the arms of the interferometer from a phase measurement. Two different twisted beams, also called vortex beams, with opposite twisted rotations in each arm of the interferometer interfere in a daisy flower-like pattern. The number of petals is twice the topological charge. Their position depends on the relative phase of the beams. Naked eye detection of 44 pm displacements is achieved. The sensitivity of such an interferometer together with possible further improvements, and applications are then discussed.

  8. Electrostatic twisted modes in multi-component dusty plasmas

    International Nuclear Information System (INIS)

    Ayub, M. K.; Ali, S.; Ikram, M.

    2016-01-01

    Various electrostatic twisted modes are re-investigated with finite orbital angular momentum in an unmagnetized collisionless multi-component dusty plasma, consisting of positive/negative charged dust particles, ions, and electrons. For this purpose, hydrodynamical equations are employed to obtain paraxial equations in terms of density perturbations, while assuming the Gaussian and Laguerre-Gaussian (LG) beam solutions. Specifically, approximated solutions for potential problem are studied by using the paraxial approximation and expressed the electric field components in terms of LG functions. The energy fluxes associated with these modes are computed and corresponding expressions for orbital angular momenta are derived. Numerical analyses reveal that radial/angular mode numbers as well as dust number density and dust charging states strongly modify the LG potential profiles attributed to different electrostatic modes. Our results are important for understanding particle transport and energy transfer due to wave excitations in multi-component dusty plasmas

  9. Topological twist in four dimensions, R-duality and hyperinstantons

    International Nuclear Information System (INIS)

    Anselmi, D.; Fre, P.

    1993-01-01

    In this paper we continue the programme of topologically twisting N=2 theories in D=4, focusing on the coupling of vector multiplets to N=2 supergravity. We show that in the minimal case, namely when the special gometry prepotential F(X) is a quadratic polynomial, the theory has a so far unknown on-shell U(1) symmetry, that we name R-duality. R-duality is a generalization of the chiral-dual on-shell symmetry of N=2 pure supergravity and of the R-symmetry of N=2 super Yang-Mills theory. Thanks to this, the theory can be topologically twisted and topologically shifted, precisely as pure N=2 supergravity, to yield a natural coupling of topological gravity to topological Yang-Mills theory. The gauge-fixing condition that emerges from the twisting is the self-duality condition on the gauge field strength and on the spin connection. Hence our theory reduces to intersection theory in the moduli-space of gauge instantons living in gravitational instanton backgrounds. We remark that, for deep properties of the parent N=2 theory, the topological Yang-Mills theory we obtain by taking the flat space limit of our gravity-coupled lagrangian is different from the Donaldson theory constructed by Witten. Whether this difference is substantial and what its geometrical implications may be is yet to be seen. We also discuss the topological twist of the hypermultiplets leading to topological quaternionic sigma-models. The instantons of these models, named by us hyperinstantons, correspond to a notion of triholomorphic mappings discussed in the paper. In all cases the new ghost number is the sum of the old ghost number plus the R-duality charge. The observables described by the theory are briefly discussed. In conclusion, the topological twist of the complete N=2 theory defines intersection theory in the moduli-space of gauge instantons plus gravitational instantons plus hyperinstantons. This is possibly a new subject for further mathematical investigation. (orig.)

  10. Electrospinning of continuous poly (L-lactide) yarns: Effect of twist on the morphology, thermal properties and mechanical behavior.

    Science.gov (United States)

    Maleki, H; Gharehaghaji, A A; Dijkstra, P J

    2017-07-01

    Electrospinning PLLA solutions from two oppositely charged nozzles gives a triangle of fibers, also called E-triangle, that assemble into yarns at the convergence point. The formed yarn at the E-triangle was taken up by a unit comprising a take up roller and coupled twister plate, which twist rate can be varied. At all twist rates, uniform and smooth fibers without any beads were formed. The apex angle of the deposited fibers at the E-triangle was larger at higher twist rates. By increasing the twist rate from 80rpm to 320rpm the orientation angle of fibers in the yarn changes from 18.8° to 41.5°. Increasing the twist rate revealed a higher polymer crystallinity likely due to the polymer orientation by the applied tension to the fibers. The ultimate strength and modulus of electrospun yarns were higher when prepared at higher twist rates. However, at the highest twist rates, the strength and modulus of electrospun yarns leveled off and even decreased slightly. The results revealed that the mechanical properties not only depend on the polymer crystallinity but also on the alignment of the fibers in the yarn and the angle at which they were deposited. These biodegradable materials are promising materials to be used in a wide range of applications where environmentally friendly products are required. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Excited State Structural Dynamics of Carotenoids and ChargeTransfer Systems

    Energy Technology Data Exchange (ETDEWEB)

    Van Tassle, Aaron Justin [Univ. of California, Berkeley, CA (United States)

    2006-01-01

    This dissertation describes the development andimplementation of a visible/near infrared pump/mid-infrared probeapparatus. Chapter 1 describes the background and motivation ofinvestigating optically induced structural dynamics, paying specificattention to solvation and the excitation selection rules of highlysymmetric molecules such as carotenoids. Chapter 2 describes thedevelopment and construction of the experimental apparatus usedthroughout the remainder of this dissertation. Chapter 3 will discuss theinvestigation of DCM, a laser dye with a fluorescence signal resultingfrom a charge transfer state. By studying the dynamics of DCM and of itsmethyl deuterated isotopomer (an otherwise identical molecule), we areable to investigate the origins of the charge transfer state and provideevidence that it is of the controversial twisted intramolecular (TICT)type. Chapter 4 introduces the use of two-photon excitation to the S1state, combined with one-photon excitation to the S2 state of thecarotenoid beta-apo-8'-carotenal. These 2 investigations show evidencefor the formation of solitons, previously unobserved in molecular systemsand found only in conducting polymers Chapter 5 presents an investigationof the excited state dynamics of peridinin, the carotenoid responsiblefor the light harvesting of dinoflagellates. This investigation allowsfor a more detailed understanding of the importance of structuraldynamics of carotenoids in light harvesting.

  12. A colorimetric and ratiometric fluorescent probe for sulfite based on an intramolecular cleavage mechanism.

    Science.gov (United States)

    Hou, Peng; Chen, Song; Voitchovsky, Kislon; Song, Xiangzhi

    2014-11-01

    A colorimetric and ratiometric fluorescent sulfite probe, the levulinate of 4-hydroxynaphthalimide, was successfully synthesized from 4-hydroxy-naphthalimide and levulinic acid. Through sulfite-mediated intramolecular cleavage, the probe was converted into 4-hydroxynaphthalimide, which when excited at 450 nm, displayed a large Stokes shift due to the intramolecular charge transfer process. The probe exhibited high selectivity and sensitivity towards sulfite over other typical anionic species (F(-), Cl(-), Br(-), I(-), HPO(4)(2-), SO(4)(2-), NO(3)(-), AcO(-), ClO(4)(-), HCO(3)(-)) in HEPES-buffered solution (25 mm, pH 7.4, 50% acetonitrile, v/v). Copyright © 2013 John Wiley & Sons, Ltd.

  13. Twisted vector bundles on pointed nodal curves

    Indian Academy of Sciences (India)

    Abstract. Motivated by the quest for a good compactification of the moduli space of -bundles on a nodal curve we establish a striking relationship between Abramovich's and Vistoli's twisted bundles and Gieseker vector bundles.

  14. Twisted Vector Bundles on Pointed Nodal Curves

    Indian Academy of Sciences (India)

    Abstract. Motivated by the quest for a good compactification of the moduli space of -bundles on a nodal curve we establish a striking relationship between Abramovich's and Vistoli's twisted bundles and Gieseker vector bundles.

  15. Spintronics: A new twist in electronics

    Indian Academy of Sciences (India)

    BIPUL PAL

    Semiconductor Nanostructures. Ultrafast Laser Spectroscopy. Spintronics: A new twist in electronics. Bipul Pal. Indian Institute of Science Education & Research – Kolkata. 02/07/09. 1st Platinum Jubilee Meeting of the Indian Academy of Sciences ...

  16. OAM mode converter in twisted fibers

    DEFF Research Database (Denmark)

    Usuga Castaneda, Mario A.; Beltran-Mejia, Felipe; Cordeiro, Cristiano

    2014-01-01

    We analyze the case of an OAM mode converter based on a twisted fiber, through finite element simulations where we exploit an equivalence between geometric and material transformations. The obtained converter has potential applications in MDM. © 2014 OSA.......We analyze the case of an OAM mode converter based on a twisted fiber, through finite element simulations where we exploit an equivalence between geometric and material transformations. The obtained converter has potential applications in MDM. © 2014 OSA....

  17. Intramolecular Barbier reaction in water: cyclopentane and cyclohexane ring closure

    Directory of Open Access Journals (Sweden)

    RADOMIR N. SAICIC

    2002-03-01

    Full Text Available Zinc or indium promoted intramolecular Barbier reactions of aldehydes containing a suitably positioned allylic or propargylic halide unit afford unsaturated cyclic alcohols in moderate yields.

  18. Excited state Intramolecular Proton Transfer in Anthralin

    DEFF Research Database (Denmark)

    Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens

    1998-01-01

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results...... in an unusually large fluorescence Stokes shift of 10500 cm−1. The emission appears as a broad band with a maximum at 17500 cm−1 and is characterized by a low and nearly temperature-independent quantum yield. The results are interpreted as an indication of a large equilibrium geometry change upon excitation...

  19. Femtosecond laser studies of ultrafast intramolecular processes

    Energy Technology Data Exchange (ETDEWEB)

    Hayden, C. [Sandia National Laboratories, Livermore, CA (United States)

    1993-12-01

    The goal of this research is to better understand the detailed mechanisms of chemical reactions by observing, directly in time, the dynamics of fundamental chemical processes. In this work femtosecond laser pulses are used to initiate chemical processes and follow the progress of these processes in time. The authors are currently studying ultrafast internal conversion and subsequent intramolecular relaxation in unsaturated hydrocarbons. In addition, the authors are developing nonlinear optical techniques to prepare and monitor the time evolution of specific vibrational motions in ground electronic state molecules.

  20. Intramolecular energy transfer reactions in polymetallic

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, J.

    1990-11-01

    This report is concerned with intramolecular, energy-transfer reactions. The concept of preparing synthetically a complex molecular species, capable of absorbing a photon at one metal center (antenna fragment), transferring that energy to a second metal center (reactive fragment) via a bridging ligand was first reported by our group in 1979. It is now apparent that a major emphasis in inorganic chemistry in the future will involve these types of molecular ensembles. Complexes discussed include Rh, Ru, and Cu complexes. 23 refs., 14 tabs.

  1. Mesoscale mechanics of twisting carbon nanotube yarns.

    Science.gov (United States)

    Mirzaeifar, Reza; Qin, Zhao; Buehler, Markus J

    2015-03-12

    Fabricating continuous macroscopic carbon nanotube (CNT) yarns with mechanical properties close to individual CNTs remains a major challenge. Spinning CNT fibers and ribbons for enhancing the weak interactions between the nanotubes is a simple and efficient method for fabricating high-strength and tough continuous yarns. Here we investigate the mesoscale mechanics of twisting CNT yarns using full atomistic and coarse grained molecular dynamics simulations, considering concurrent mechanisms at multiple length-scales. To investigate the mechanical response of such a complex structure without losing insights into the molecular mechanism, we applied a multiscale strategy. The full atomistic results are used for training a coarse grained model for studying larger systems consisting of several CNTs. The mesoscopic model parameters are updated as a function of the twist angle, based on the full atomistic results, in order to incorporate the atomistic scale deformation mechanisms in larger scale simulations. By bridging across two length scales, our model is capable of accurately predicting the mechanical behavior of twisted yarns while the atomistic level deformations in individual nanotubes are integrated into the model by updating the parameters. Our results focused on studying a bundle of close packed nanotubes provide novel mechanistic insights into the spinning of CNTs. Our simulations reveal how twisting a bundle of CNTs improves the shear interaction between the nanotubes up to a certain level due to increasing the interaction surface. Furthermore, twisting the bundle weakens the intertube interactions due to excessive deformation in the cross sections of individual CNTs in the bundle.

  2. Altering intra- to inter-molecular hydrogen bonding by dimethylsulfoxide: A TDDFT study of charge transfer for coumarin 343

    Science.gov (United States)

    Liu, Xiaochun; Yin, Hang; Li, Hui; Shi, Ying

    2017-04-01

    DFT and TDDFT methods were carried out to investigate the influences of intramolecular and intermolecular hydrogen bonding on excited state charge transfer for coumarin 343 (C343). Intramolecular hydrogen bonding is formed between carboxylic acid group and carbonyl group in C343 monomer. However, in dimethylsulfoxide (DMSO) solution, DMSO 'opens up' the intramolecular hydrogen bonding and forms solute-solvent intermolecular hydrogen bonded C343-DMSO complex. Analysis of frontier molecular orbitals reveals that intramolecular charge transfer (ICT) occurs in the first excited state both for C343 monomer and complex. The results of optimized geometric structures indicate that the intramolecular hydrogen bonding interaction is strengthened while the intermolecular hydrogen bonding is weakened in excited state, which is confirmed again by monitoring the shifts of characteristic peaks of infrared spectra. We demonstrated that DMSO solvent can not only break the intramolecular hydrogen bonding to form intermolecular hydrogen bonding with C343 but also alter the mechanism of excited state hydrogen bonding strengthening.

  3. Intramolecular Rotation through Proton Transfer: [Fe(eta(5)-C5H4CO2-)(2)] Versus [(eta(5)-C5H4CO2-)Fe(eta(5)-C5H4CO2H)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue B.; Dai, Bing; Woo, Hin-koon; Wang, Lai S.

    2005-08-12

    We report a photoelectron spectroscopic study of doubly charged (?5C5H4CO2-)Fe(?5-C5H4CO2-) (1) and singly charged (?5C5H4CO2-)Fe(?5C5H4CO2H) (2). It is shown that strong intramolecular coulomb repulsion keeps 1 in the trans-form, in which the two ?CO2- groups on the cyclopentadienyl ligands are oriented opposite to each other, whereas 2 assumes the cis-form owing to a strong intramolecular H-bond. We estimate a rotational barrier of 1.4 eV for 1 and 0.6 eV for 2. A proton transfer to 1 would result in a 112? intramolecular rotation, whereas deportation of 2 would result in a similar intramolecular rotation. Thus 1 and 2 form a model molecular rotor system, controlled by a proton transfer.

  4. TWIST is Expressed in Human Gliomas, Promotes Invasion

    Directory of Open Access Journals (Sweden)

    Maria C. Elias

    2005-09-01

    Full Text Available TWIST is a basic helix-loop-helix (bHLH transcription factor that regulates mesodermal development, promotes tumor cell metastasis, and, in response to cytotoxic stress, enhances cell survival. Our screen for bHLH gene expression in rat C6 glioma revealed TWIST. To delineate a possible oncogenic role for TWIST in the human central nervous system (CNS, we analyzed TWIST message, protein expression in gliomas, normal brain. TWIST was detected in the large majority of human glioma-derived cell lines, human gliomas examined. Increased TWIST mRNA levels were associated with the highest grade gliomas, increased TWIST expression accompanied transition from low grade to high grade in vivo, suggesting a role for TWIST in promoting malignant progression. In accord, elevated TWIST mRNA abundance preceded the spontaneous malignant transformation of cultured mouse astrocytes hemizygous for p53. Overexpression of TWIST protein in a human glioma cell line significantly enhanced tumor cell invasion, a hallmark of high-grade gliomas. These findings support roles for TWIST both in early glial tumorigenesis, subsequent malignant progression. TWIST was also expressed in embryonic, fetal human brain, in neurons, but not glia, of mature brain, indicating that, in gliomas, TWIST may promote the functions also critical for CNS development or normal neuronal physiology.

  5. Analysis of gun barrel rifling twist

    Science.gov (United States)

    Sun, Jia; Chen, Guangsong; Qian, Linfang; Liu, Taisu

    2017-05-01

    Aiming at the problem of gun barrel rifling twist, the constraint relation between rifling and projectile is investigated. The constraint model of rifling and projectile is established and the geometric relation between the twist and the motion of projectile is analyzed. Based on the constraint model, according to the rotating band that is fired, the stress and the motion law of the rotating band in bore are analyzed. The effects to rotating band (double rotating band or wide driving band) caused by different rifling (rib rifling, increasing rifling and combined rifling) are also investigated. The model is demonstrated by several examples. The results of numerical examples and the constraint mode show that the uncertainty factors will be brought in the increasing rifling and combined rifling during the projectile move in the bore. According to the amplitude and the strength of the twist acting on rotating band, the steady property of rotational motion of the projectile, the rib rifling is a better choose.

  6. Electrically Controllable Magnetism in Twisted Bilayer Graphene.

    Science.gov (United States)

    Gonzalez-Arraga, Luis A; Lado, J L; Guinea, Francisco; San-Jose, Pablo

    2017-09-08

    Twisted graphene bilayers develop highly localized states around AA-stacked regions for small twist angles. We show that interaction effects may induce either an antiferromagnetic or a ferromagnetic (FM) polarization of said regions, depending on the electrical bias between layers. Remarkably, FM-polarized AA regions under bias develop spiral magnetic ordering, with a relative 120° misalignment between neighboring regions due to a frustrated antiferromagnetic exchange. This remarkable spiral magnetism emerges naturally without the need of spin-orbit coupling, and competes with the more conventional lattice-antiferromagnetic instability, which interestingly develops at smaller bias under weaker interactions than in monolayer graphene, due to Fermi velocity suppression. This rich and electrically controllable magnetism could turn twisted bilayer graphene into an ideal system to study frustrated magnetism in two dimensions.

  7. Use of ionic model for analysis of intramolecular movement in alkali metal metaborate molecules

    International Nuclear Information System (INIS)

    Ezhov, Yu.S.; Vinogradov, V.S.

    1978-01-01

    To clear out the peculiarities of intramolecular movement in MBO 2 (where M=Li, Na, K, Rb, Cs) molecules the energy dependence of cation electrostatic interaction with BO 2 anion on the charge value of oxygen, values of the MOB valence angle and internuclear distance r(M-O) is calculated. The calculation results on the base of ionic model show that the minimum of potential energy function corresponds to angular configuration of the MBO 2 molecules. Parameters of potential function of deformation oscillation connected with the change of MOB angle, are evaluated

  8. Surveying 4d SCFTs twisted on Riemann surfaces

    Science.gov (United States)

    Amariti, Antonio; Cassia, Luca; Penati, Silvia

    2017-06-01

    Within the framework of four dimensional conformal supergravity we consider N=1,2,3,4 supersymmetric theories generally twisted along the abelian subgroups of the R-symmetry and possibly other global symmetry groups. Upon compactification on constant curvature Riemann surfaces with arbitrary genus we provide an extensive classification of the resulting two dimensional theories according to the amount of supersymmetry that is preserved. Exploiting the c-extremization prescription introduced in arXiv:1211.4030 we develop a general procedure to obtain the central charge for 2d N=(0,2) theories and the expression of the corresponding R-current in terms of the original 4d one and its mixing with the other abelian global currents.

  9. On the twisted N=2 superconformal structure in 2d gravity coupled to matter

    International Nuclear Information System (INIS)

    Panda, S.; Roy, S.

    1993-05-01

    It is shown that the two dimensional gravity, described either in the conformal gauge (Liouville theory) or in the light cone gauge, when coupled to matter processes an infinite number of twisted N=2 superconformal symmetries. The central charges of the N=2 algebra for the two gauge choices are in general different. Further, it is argued that the physical states in the light cone gauge theory can be obtained from the Liouville theory by a field redefinition. (author). 18 refs

  10. Electrospinning of continuous poly (L-lactide) yarns : Effect of twist on the morphology, thermal properties and mechanical behavior

    NARCIS (Netherlands)

    Maleki, H.; Gharehaghaji, A.A.; Dijkstra, P. J.

    2017-01-01

    Electrospinning PLLA solutions from two oppositely charged nozzles gives a triangle of fibers, also called E-triangle, that assemble into yarns at the convergence point. The formed yarn at the E-triangle was taken up by a unit comprising a take up roller and coupled twister plate, which twist rate

  11. String Theory, Strongly Correlated Systems, and Duality Twists

    Science.gov (United States)

    Torres Chicon, Nesty Ray

    In the first part of this dissertation (Chapter 1), I present a construction of a six dimensional (2,0)-theory model that describes the dynamics of the Fractional Quantum Hall Effect (FQHE). The FQHE appears as part of the low energy description of the Coulomb branch of the A1 (2,0)-theory formulated on a geometry (S 1 x R2)/Zk. At low-energy, the configuration is described in terms of a 4+1D supersymmetric Yang-Mills (SYM) theory on a cone (R2/Z k) with additional 2+1D degrees of freedom at the tip of the cone that include fractionally charged particles. These fractionally charged "quasi-particles" are BPS strings of the (2,0)-theory wrapped on short cycles. In this framework, a W-boson can be modeled as a bound state of k quasi-particles, which can be used to understand the dynamics of the FQHE. In the second part of this dissertation (Chapters 2-3), I investigate the N=4 SYM theory compactified on a circle, with a varying coupling constant (Janus configuration) and an S-duality twist. I relate this setup to a three dimensional topological theory and to a dual string theory. The equality of these descriptions is exhibited by matching the operator algebra, and the dimensions of the Hilbert space. Additionally, this dissertation addresses a classic result in number theory, called quadratic reciprocity, using string theory language. I present a proof that quadratic reciprocity is a direct consequence of T-duality of Type-II string theory. This is demonstrated by analyzing a partition function of abelian N=4 SYM theory on a certain supersymmetry-preserving four-manifold with variable coupling constant and a SL(2,Z)-duality twist.

  12. On the Symmetric Properties for the Generalized Twisted Bernoulli Polynomials

    Directory of Open Access Journals (Sweden)

    Kim Taekyun

    2009-01-01

    Full Text Available We study the symmetry for the generalized twisted Bernoulli polynomials and numbers. We give some interesting identities of the power sums and the generalized twisted Bernoulli polynomials using the symmetric properties for the -adic invariant integral.

  13. Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

    Science.gov (United States)

    Tokatli, A.; Ucun, F.; Sütçü, K.; Osmanoğlu, Y. E.; Osmanoğlu, Ş.

    2018-02-01

    In this study the conformational behavior of cycloheximide in the gas and solution (CHCl3) phases has theoretically been investigated by spectroscopic and quantum chemical properties using density functional theory (wB97X-D) method with 6-31++G(d,p) basis set, for the first time. The calculated IR results reveal that in the ground state the molecule exits as a mixture of the chair and twist-boat conformers in the gas phase, while the calculated NMR results reveal that it only exits as the chair conformer in the solution phase. In order to obtain the contributions coming from intramolecular interactions to the stability of the conformers in the gas and solution phases, the quantum theory of atoms in molecules (QTAIM), noncovalent interactions (NCI) method, and natural bond orbital analysis (NBO) have been employed. The QTAIM and NCI methods indicated that by intramolecular interactions with bond critical point (BCP) the twist-boat conformer is more stabilized than the chair conformer, while by steric interactions it is more destabilized. Considering that these interactions balance each other, the stabilities of the conformers are understood to be dictated by the van der Waals interactions. The NBO analyses show that the hyperconjugative and steric effects play an important role in the stabilization in the gas and solution phases. Furthermore, to get a better understanding of the chemical behavior of this important antibiotic drug we have evaluated and, commented the global and local reactivity descriptors of the both conformers. Finally, the EPR analysis of γ-irradiated cycloheximide has been done. The comparison of the experimental and calculated data have showed the inducement of a radical structure of (CH2)2ĊCH2 in the molecule. The experimental EPR spectrum has also confirmed that the molecule simultaneously exists in the chair and twist-boat conformers in the solid phase.

  14. Twisted condensates of quantized fields

    International Nuclear Information System (INIS)

    Gallone, F.; Sparzani, A.; Ubertone, G.; Streater, R.F.

    We construct some quasi-free pure states of free quantized fields in 1+1 dimensions, that are localized in the sense of Knight. We consider massless or massive Dirac fields forming a U(n), n >= 1, multiplet and subject it to a local gauge transformation. We also subject a doublet of massive Klein-Gordon fields to local SO(2) transformations. We find the conditions that the resulting automorphism is spatial in Fock space. In some cases the conditions turn out to require that certain parameters, identified as the winding numbers of the gauge, are integers. It is argued that this integer labels states of various charge. (orig.)

  15. Twisted surfaces in the Pseudo-Galilean space

    Directory of Open Access Journals (Sweden)

    Ahmet Kazan

    2017-10-01

    Full Text Available In this paper, we construct the twisted surfaces according to the supporting plane and type of rotations in pseudo-Galilean space G13. Also, we find the Gaussian curvatures and mean curvatures of the different types of these twisted surfaces and draw some figures for these twisted surfaces.

  16. Hilbert's Grand Hotel with a series twist

    Science.gov (United States)

    Wijeratne, Chanakya; Mamolo, Ami; Zazkis, Rina

    2014-08-01

    This paper presents a new twist on a familiar paradox, linking seemingly disparate ideas under one roof. Hilbert's Grand Hotel, a paradox which addresses infinite set comparisons is adapted and extended to incorporate ideas from calculus - namely infinite series. We present and resolve several variations, and invite the reader to explore his or her own variations.

  17. Hardy Inequalities in Globally Twisted Waveguides

    Czech Academy of Sciences Publication Activity Database

    Briet, Ph.; Hammedi, H.; Krejčiřík, David

    2015-01-01

    Roč. 105, č. 7 (2015), s. 939-958 ISSN 0377-9017 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : quantum waveguides * twisted tubes * Dirichlet Laplacian * Hardy inequality Subject RIV: BE - Theoretical Physics Impact factor: 1.517, year: 2015

  18. Self-Portraits with a Twist

    Science.gov (United States)

    DeMarco, Frederick

    2010-01-01

    This article describes an art activity on self-portraiture inspired by artist Tim Hawkinson. Hawkinson created a sculpture titled "Emoter" in which his face, moved by motors, twisted and contorted based on random signals from a TV. This art activity incorporates technology into the art room, brings the work of practicing artists alive, and is a…

  19. Twisted holomorphic forms on generalized flag varieties

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    As a corollary of Theorem 1 and Proposition 2, we get the following vanishing theorem: ..... easily what the maximum positive value is which can occur in (µ, α∨ ... Twisted holomorphic forms on generalized flag varieties. 129. The following observation will be useful in writing down the conditions stated in the proposition.

  20. Twisted Frobenius Identities from Vertex Operator Superalgebras

    Directory of Open Access Journals (Sweden)

    Alexander Zuevsky

    2017-01-01

    Full Text Available In consideration of the continuous orbifold partition function and a generating function for all n-point correlation functions for the rank two free fermion vertex operator superalgebra on the self-sewing torus, we introduce the twisted version of Frobenius identity.

  1. Magnetization Modeling of Twisted Superconducting Filaments

    CERN Document Server

    Satiramatekul, T; Devred, Arnaud; Leroy, Daniel

    2007-01-01

    This paper presents a new Finite Element numerical method to analyze the coupling between twisted filaments in a superconducting multifilament composite wire. To avoid the large number of elements required by a 3D code, the proposed method makes use of the energy balance principle in a 2D code. The relationship between superconductor critical current density and local magnetic flux density is implemented in the program for the Bean and modified Kim models. The modeled wire is made up of six filaments twisted together and embedded in a lowresistivity matrix. Computations of magnetization cycle and of the electric field pattern have been performed for various twist pitch values in the case of a pure copper matrix. The results confirm that the maximum magnetization depends on the matrix conductivity, the superconductor critical current density, the applied field frequency, and the filament twist pitch. The simulations also lead to a practical criterion for wire design that can be used to assess whether or not th...

  2. Morphing wing structure with controllable twist based on adaptive bending-twist coupling

    Science.gov (United States)

    Raither, Wolfram; Heymanns, Matthias; Bergamini, Andrea; Ermanni, Paolo

    2013-06-01

    A novel semi-passive morphing airfoil concept based on variable bending-twist coupling induced by adaptive shear center location and torsional stiffness is presented. Numerical parametric studies and upscaling show that the concept relying on smart materials permits effective twist control while offering the potential of being lightweight and energy efficient. By means of an experimental characterization of an adaptive beam and a scaled adaptive wing structure, effectiveness and producibility of the structural concept are demonstrated.

  3. Morphing wing structure with controllable twist based on adaptive bending–twist coupling

    International Nuclear Information System (INIS)

    Raither, Wolfram; Heymanns, Matthias; Ermanni, Paolo; Bergamini, Andrea

    2013-01-01

    A novel semi-passive morphing airfoil concept based on variable bending–twist coupling induced by adaptive shear center location and torsional stiffness is presented. Numerical parametric studies and upscaling show that the concept relying on smart materials permits effective twist control while offering the potential of being lightweight and energy efficient. By means of an experimental characterization of an adaptive beam and a scaled adaptive wing structure, effectiveness and producibility of the structural concept are demonstrated. (paper)

  4. Charge orders in organic charge-transfer salts

    Science.gov (United States)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Becca, Federico

    2017-10-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ-(BEDT-TTF)2Cu[N(CN)2]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order.

  5. Intramolecularly Hydrogen-Bonded Polypyrroles as Electro-Optical Sensors

    National Research Council Canada - National Science Library

    Nicholson, Jesse

    2001-01-01

    We have developed a new class of polypyrroles bearing both hydrogen-bond acceptor and hydrogen-donor groups such that the intramolecular hydrogen bonding holds the system planar enhancing conjugation...

  6. A novel role for Twist-1 in pulp homeostasis.

    Science.gov (United States)

    Galler, K M; Yasue, A; Cavender, A C; Bialek, P; Karsenty, G; D'Souza, R N

    2007-10-01

    The molecular mechanisms that maintain the equilibrium of odontoblast progenitor cells in dental pulp are unknown. Here we tested whether homeostasis in dental pulp is modulated by Twist-1, a nuclear protein that partners with Runx2 during osteoblast differentiation. Our analysis of Twist-1(+/-) mice revealed phenotypic changes that involved an earlier onset of dentin matrix formation, increased alkaline phosphatase activity, and pulp stones within the pulp. RT-PCR analyses revealed Twist-1 expression in several adult organs, including pulp. Decreased levels of Twist-1 led to higher levels of type I collagen and Dspp gene expression in perivascular cells associated with the pulp stones. In mice heterozygous for both Twist-1 and Runx2 inactivation, the phenotype of pulp stones appeared completely rescued. These findings suggest that Twist-1 plays a key role in restraining odontoblast differentiation, thus maintaining homeostasis in dental pulp. Furthermore, Twist-1 functions in dental pulp are dependent on its interaction with Runx2.

  7. Rubrene: The interplay between intramolecular and intermolecular interactions determines the planarization of its tetracene core in the solid state

    KAUST Repository

    Sutton, Christopher

    2015-06-15

    Rubrene is one of the most studied molecular semiconductors; its chemical structure consists of a tetracene backbone with four phenyl rings appended to the two central fused rings. Derivatization of these phenyl rings can lead to two very different solid-state molecular conformations and packings: One in which the tetracene core is planar and there exists substantive overlap among neighboring π-conjugated backbones; and another where the tetracene core is twisted and the overlap of neighboring π-conjugated backbones is completely disrupted. State-of-the-art electronic-structure calculations show for all isolated rubrene derivatives that the twisted conformation is more favorable (by -1.7 to -4.1 kcal mol-1), which is a consequence of energetically unfavorable exchange-repulsion interactions among the phenyl side groups. Calculations based on available crystallographic structures reveal that planar conformations of the tetracene core in the solid state result from intermolecular interactions that can be tuned through well-chosen functionalization of the phenyl side groups, and lead to improved intermolecular electronic couplings. Understanding the interplay of these intramolecular and intermolecular interactions provides insight into how to chemically modify rubrene and similar molecular semiconductors to improve the intrinsic materials electronic properties.

  8. Emission Spectroscopy as a Probe into Photoinduced Intramolecular Electron Transfer in Polyazine Bridged Ru(II,Rh(III Supramolecular Complexes

    Directory of Open Access Journals (Sweden)

    Karen J. Brewer

    2010-08-01

    Full Text Available Steady-state and time-resolved emission spectroscopy are valuable tools to probe photochemical processes of metal-ligand, coordination complexes. Ru(II polyazine light absorbers are efficient light harvesters absorbing in the UV and visible with emissive 3MLCT excited states known to undergo excited state energy and electron transfer. Changes in emission intensity, energy or band-shape, as well as excited state lifetime, provide insight into excited state dynamics. Photophysical processes such as intramolecular electron transfer between electron donor and electron acceptor sub-units may be investigated using these methods. This review investigates the use of steady-state and time-resolved emission spectroscopy to measure excited state intramolecular electron transfer in polyazine bridged Ru(II,Rh(III supramolecular complexes. Intramolecular electron transfer in these systems provides for conversion of the emissive 3MLCT (metal-to-ligand charge transfer excited state to a non-emissive, but potentially photoreactive, 3MMCT (metal-to-metal charge transfer excited state. The details of the photophysics of Ru(II,Rh(III and Ru(II,Rh(III,Ru(II systems as probed by steady-state and time-resolved emission spectroscopy will be highlighted.

  9. HREM of general and twist grain boundaries.

    Energy Technology Data Exchange (ETDEWEB)

    Merkle, K. L.; Thompson, L. J.

    1999-03-10

    The observation of atomic-scale structures of grain boundaries (GBs) via axial illumination HREM has been largely restricted to tilt GBs, due to the requirement that the electron beam be parallel to a low-index zone axis on both sides of the interface. This condition can be fulfilled for all tilt GBs with disorientation about a low-index direction. The information obtained through HREM studies in many materials has brought important insights concerning the atomic-scale structure of such boundaries. However, it is well known that tilt GBs occupy only an infinitesimally small fraction of the 5-dimensional phase space which describes the macroscopic geometry of all GBs. Therefore, although tilt GBs are very important due to their low energy, it would be useful to also study twist GBs and general GBs that contain twist and tilt components.

  10. IRONY IN CHARLES DICKEN'S OLIVER TWIST

    Directory of Open Access Journals (Sweden)

    Ika Kana Trisnawati

    2016-05-01

    Full Text Available This paper describes the types of irony used by Charles Dickens in his notable early work, Oliver Twist, as well as the reasons the irony was chosen. As a figurative language, irony is utilized to express one’s complex feelings without truly saying them. In Oliver Twist, Dickens brought the readers some real social issues wrapped in dark, deep written expressions of irony uttered by the characters of his novel. Undoubtedly, the novel had left an impact to the British society at the time. The irony Dickens displayed here includes verbal, situational, and dramatic irony. His choice of irony made sense as he intended to criticize the English Poor Laws and to touch the public sentiment. He wanted to let the readers go beyond what was literally written and once they discovered what the truth was, they would eventually understand Dickens’ purposes.

  11. Leibniz algebroids, twistings and exceptional generalized geometry

    Science.gov (United States)

    Baraglia, D.

    2012-05-01

    We investigate a class of Leibniz algebroids which are invariant under diffeomorphisms and symmetries involving collections of closed forms. Under appropriate assumptions we arrive at a classification which in particular gives a construction starting from graded Lie algebras. In this case the Leibniz bracket is a derived bracket and there are higher derived brackets resulting in an L∞-structure. The algebroids can be twisted by a non-abelian cohomology class and we prove that the twisting class is described by a Maurer-Cartan equation. For compact manifolds we construct a Kuranishi moduli space of this equation which is shown to be affine algebraic. We explain how these results are related to exceptional generalized geometry.

  12. MAGNETIC FIELD TWISTING BY INTERGRANULAR DOWNDRAFTS

    Energy Technology Data Exchange (ETDEWEB)

    Taroyan, Youra; Williams, Thomas [Department of Physics, IMPACS, Aberystwyth University, Aberystwyth (United Kingdom)

    2016-10-01

    The interaction of an intergranular downdraft with an embedded vertical magnetic field is examined. It is demonstrated that the downdraft may couple to small magnetic twists leading to an instability. The descending plasma exponentially amplifies the magnetic twists when it decelerates with depth due to increasing density. Most efficient amplification is found in the vicinity of the level, where the kinetic energy density of the downdraft reaches equipartition with the magnetic energy density. Continual extraction of energy from the decelerating plasma and growth in the total azimuthal energy occurs as a consequence of the wave-flow coupling along the downdraft. The presented mechanism may drive vortices and torsional motions that have been detected between granules and in simulations of magnetoconvection.

  13. Leibniz algebroids, twistings and exceptional generalized geometry

    OpenAIRE

    Baraglia, David

    2011-01-01

    We investigate a class of Leibniz algebroids which are invariant under diffeomorphisms and symmetries involving collections of closed forms. Under appropriate assumptions we arrive at a classification which in particular gives a construction starting from graded Lie algebras. In this case the Leibniz bracket is a derived bracket and there are higher derived brackets resulting in an $L_\\infty$-structure. The algebroids can be twisted by a non-abelian cohomology class and we prove that the twis...

  14. Vacuum expectation value of twist fields

    Science.gov (United States)

    Belitsky, A. V.

    2017-09-01

    Twist fields emerge in a number of physical applications ranging from entanglement entropy to scattering amplitudes in four-dimensional gauge theories. In this work, their vacuum expectation values are studied in the path integral framework. By performing a gauge transformation, their correlation functions are reduced to field theory of matter fields in external Aharonov-Bohm vortices. The resulting functional determinants are then analyzed within the zeta-function regularization for the spectrum of Bessel zeros, and concise formulas are derived.

  15. Separation of minimum and higher twist in the photoproduction of mesons with large transverse momenta

    International Nuclear Information System (INIS)

    Hoeger, K.C.

    1990-10-01

    Higher-twist effects in point-like photon interactions on hydrogen have been studied in xF-distributions of charged particles for -0.2 2.0 GeV/c. Data were taken with a tagged photon beam with energies between 70 and 170 GeV and a pion/kaon beam at fixed energies of 80 and 140 GeV using the same setup of detectors at the CERN-Ω-spectrometer (WA69 experiment). The pion and kaon interactions were used to obtain an estimate of the hadron-like photon component. A first estimation of Higher-Twist cross sections in photoproduction of mesons at high pT has been obtained that is consistent with QCD-expectations. (orig.) [de

  16. Simulating QCD at the physical point with Nf=2 Wilson twisted mass fermions at maximal twist

    International Nuclear Information System (INIS)

    Abdel-Rehim, A.; Alexandrou, C.; Cyprus Univ. Nicosia; Burger, F.

    2015-12-01

    We present simulations of QCD using N f =2 dynamical Wilson twisted mass lattice QCD with physical value of the pion mass and at one value of the lattice spacing. Such simulations at a∼0.09 fm became possible by adding the clover term to the action. While O(a) improvement is still guaranteed by Wilson twisted mass fermions at maximal twist, the introduction of the clover term reduces O(a 2 ) cutoff effects related to isospin symmetry breaking. We give results for a set of phenomenologically interesting observables like pseudo-scalar masses and decay constants, quark masses and the anomalous magnetic moments of leptons. We mostly find remarkably good agreement with phenomenology, even though we cannot take the continuum and thermodynamic limits.

  17. Femtosecond dynamics of a non-steroidal anti-inflammatory drug (piroxicam) in solution: The involvement of twisting motion

    Science.gov (United States)

    Gil, Michał; Douhal, Abderrazzak

    2008-06-01

    In this contribution, we report on fast and ultrafast dynamics of a non-steroidal anti-inflammatory drug, piroxicam (PX), in methyl acetate (MAC) and triacetin (TAC), two solvents of different viscosities. The enol form of PX undergoes a femtosecond (shorter than 100 fs) electronically excited state intramolecular proton-transfer reaction to produce keto tautomers. These structures exhibit an internal twisting motion to generate keto rotamers in ˜2-5 ps, a time being longer in TAC. The transient absorption/emission spectrum is very broad indicating that the potential-energy surface at the electronically excited state is very flat, and reflecting the involvement of several coordinates along which the wavepacket of the fs-produced structures evolve.

  18. Twisted sigma-model solitons on the quantum projective line

    Science.gov (United States)

    Landi, Giovanni

    2018-04-01

    On the configuration space of projections in a noncommutative algebra, and for an automorphism of the algebra, we use a twisted Hochschild cocycle for an action functional and a twisted cyclic cocycle for a topological term. The latter is Hochschild-cohomologous to the former and positivity in twisted Hochschild cohomology results into a lower bound for the action functional. While the equations for the critical points are rather involved, the use of the positivity and the bound by the topological term lead to self-duality equations (thus yielding twisted noncommutative sigma-model solitons, or instantons). We present explicit nontrivial solutions on the quantum projective line.

  19. Twisted rudder for reducing fuel-oil consumption

    Directory of Open Access Journals (Sweden)

    Kim Jung-Hun

    2014-09-01

    Full Text Available Three twisted rudders fit for large container ships have been developed; 1 the Z-twisted rudder that is an asymmetry type taking into consideration incoming flow angles of the propeller slipstream, 2 the ZB-twisted rudder with a rudder bulb added onto the Z-twisted rudder, and 3 the ZB-F twisted rudder with a rudder fin attached to the ZB-twisted rudder. The twisted rudders have been designed computationally with the hydrodynamic characteristics in a self-propulsion condition in mind. The governing equation is the Navier-Stokes equations in an unsteady turbulent flow. The turbulence model applied is the Reynolds stress. The calculation was carried out in towing and self-propulsion conditions. The sliding mesh technique was employed to simulate the flow around the propeller. The speed performances of the ship with the twisted rudders were verified through model tests in a towing tank. The twisted versions showed greater performance driven by increased hull efficiency from less thrust deduction fraction and more effective wake fraction and decreased propeller rotating speed

  20. Twisted rudder for reducing fuel-oil consumption

    Directory of Open Access Journals (Sweden)

    Jung-Hun Kim

    2014-09-01

    Full Text Available Three twisted rudders fit for large container ships have been developed; 1 the Z-twisted rudder that is an asymmetry type taking into consideration incoming flow angles of the propeller slipstream, 2 the ZB-twisted rudder with a rudder bulb added onto the Z-twisted rudder, and 3 the ZB-F twisted rudder with a rudder fin attached to the ZB-twisted rudder. The twisted rudders have been designed computationally with the hydrodynamic characteristics in a self-propulsion condition in mind. The governing equation is the Navier-Stokes equations in an unsteady turbulent flow. The turbulence model applied is the Reynolds stress. The calculation was carried out in towing and self-propulsion conditions. The sliding mesh technique was employed to simulate the flow around the propeller. The speed performances of the ship with the twisted rudders were verified through model tests in a towing tank. The twisted versions showed greater performance driven by increased hull efficiency from less thrust deduction fraction and more effective wake fraction and decreased propeller rotating speed.

  1. Twisted rudder for reducing fuel-oil consumption

    Science.gov (United States)

    Kim, Jung-Hun; Choi, Jung-Eun; Choi, Bong-Jun; Chung, Seok-Ho

    2014-09-01

    Three twisted rudders fit for large container ships have been developed; 1) the Z-twisted rudder that is an asymmetry type taking into consideration incoming flow angles of the propeller slipstream, 2) the ZB-twisted rudder with a rudder bulb added onto the Z-twisted rudder, and 3) the ZB-F twisted rudder with a rudder fin attached to the ZB-twisted rudder. The twisted rudders have been designed computationally with the hydrodynamic characteristics in a self-propulsion condition in mind. The governing equation is the Navier-Stokes equations in an unsteady turbulent flow. The turbulence model applied is the Reynolds stress. The calculation was carried out in towing and self-propulsion conditions. The sliding mesh technique was employed to simulate the flow around the propeller. The speed performances of the ship with the twisted rudders were verified through model tests in a towing tank. The twisted versions showed greater performance driven by increased hull efficiency from less thrust deduction fraction and more effective wake fraction and decreased propeller rotating speed

  2. Higher twist contributions to deep-inelastic structure functions

    International Nuclear Information System (INIS)

    Bluemlein, J.; Boettcher, H.

    2008-07-01

    We report on a recent extraction of the higher twist contributions to the deep inelastic structure functions F ep,ed 2 (x,Q 2 ) in the large x region. It is shown that the size of the extracted higher twist contributions is strongly correlated with the higher order corrections applied to the leading twist part. A gradual lowering of the higher twist contributions going from NLO to N 4 LO is observed, where in the latter case only the leading large x terms were considered. (orig.)

  3. Charge migration and charge transfer in molecular systems

    Directory of Open Access Journals (Sweden)

    Hans Jakob Wörner

    2017-11-01

    Full Text Available The transfer of charge at the molecular level plays a fundamental role in many areas of chemistry, physics, biology and materials science. Today, more than 60 years after the seminal work of R. A. Marcus, charge transfer is still a very active field of research. An important recent impetus comes from the ability to resolve ever faster temporal events, down to the attosecond time scale. Such a high temporal resolution now offers the possibility to unravel the most elementary quantum dynamics of both electrons and nuclei that participate in the complex process of charge transfer. This review covers recent research that addresses the following questions. Can we reconstruct the migration of charge across a molecule on the atomic length and electronic time scales? Can we use strong laser fields to control charge migration? Can we temporally resolve and understand intramolecular charge transfer in dissociative ionization of small molecules, in transition-metal complexes and in conjugated polymers? Can we tailor molecular systems towards specific charge-transfer processes? What are the time scales of the elementary steps of charge transfer in liquids and nanoparticles? Important new insights into each of these topics, obtained from state-of-the-art ultrafast spectroscopy and/or theoretical methods, are summarized in this review.

  4. NMSBA - Twist Resist - Rotational Exercise Module

    Energy Technology Data Exchange (ETDEWEB)

    Walker, Aaron [Twist Resist, Albuquerque, NM (United States); Reece, Blake D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Berger, Jason E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Guido, Steven Frank [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Linker, Taylor [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-08-01

    This report contains a summary of the work completed to develop a modular, rotational exercise device. In the report are images, diagrams, and explanations of the efforts contributed to the project since its inception. The purpose of this document is to provide a walk-through of the progress on this project, from the initial design concepts to the final design and work done, so that the customer (Twist Resist), or individuals/firms who work on this project in the future will have a springboard of ideas/concepts to work from.

  5. Twisted Soft Photon Hair Implants on Black Holes

    Science.gov (United States)

    Tamburini, Fabrizio; Laurentis, Mariafelicia; Licata, Ignazio; Thidé, Bo

    2017-08-01

    The Hawking-Perry-Strominger (HPS) work [1] states a new controversial idea about the black hole (BH) information paradox [2-5] where BHs maximally entropize and encode information in their event horizon area [6,7], with no "hair" were thought to reveal information outside but angular momentum, mass and electric charge only [8,9] in a unique quantum gravity (QG) vacuum state. This new idea invokes new conservation laws involving gravitation and electromagnetism [10,11], to generate different QG vacua and preserve more information in hair implants. In the context of black holes and the HPS proposal we find that BH photon hair implants can be spatially shaped ad hoc and encode structured and densely organized information on the event horizon involving novel aspect in the discussion a particular aspect of EM fields, namely the spatial information of the field associated to its orbital angular momentum. BHs can have "curly", twisted, soft-hair implants with vorticity where structured information is holographically encoded in the event horizon in an organized way.

  6. Drag Performance of Twist Morphing MAV Wing

    Directory of Open Access Journals (Sweden)

    Ismail N.I.

    2016-01-01

    Full Text Available Morphing wing is one of latest evolution found on MAV wing. However, due to few design problems such as limited MAV wing size and complicated morphing mechanism, the understanding of its aerodynamic behaviour was not fully explored. In fact, the basic drag distribution induced by a morphing MAV wing is still remained unknown. Thus, present work is carried out to compare the drag performance between a twist morphing wing with membrane and rigid MAV wing design. A quasi-static aeroelastic analysis by using the Ansys-Fluid Structure Interaction (FSI method is utilized in current works to predict the drag performance a twist morphing MAV wing design. Based on the drag pattern study, the results exhibits that the morphing wing has a partial similarities in overall drag pattern with the baseline (membrane and rigid wing. However, based CD analysis, it shows that TM wing induced higher CD magnitude (between 25% to 82% higher than to the baseline wing. In fact, TM wing also induced the largest CD increment (about 20% to 27% among the wings. The visualization on vortex structure revealed that TM wing also produce larger tip vortex structure (compared to baseline wings which presume to promote higher induce drag component and subsequently induce its higher CD performance.

  7. Computational design of an automotive twist beam

    Directory of Open Access Journals (Sweden)

    Benki Aalae

    2016-07-01

    Full Text Available In recent years, the automotive industry has known a remarkable development in order to satisfy the customer requirements. In this paper, we will study one of the components of the automotive which is the twist beam. The study is focused on the multicriteria design of the automotive twist beam undergoing linear elastic deformation (Hooke׳s law. Indeed, for the design of this automotive part, there are some criteria to be considered as the rigidity (stiffness and the resistance to fatigue. Those two criteria are known to be conflicting, therefore, our aim is to identify the Pareto front of this problem. To do this, we used a Normal Boundary Intersection (NBI algorithm coupling with a radial basis function (RBF metamodel in order to reduce the high calculation time needed for solving the multicriteria design problem. Otherwise, we used the free form deformation (FFD technique for the generation of the 3D shapes of the automotive part studied during the optimization process.

  8. How the embryonic brain tube twists

    Science.gov (United States)

    Chen, Zi; Guo, Qiaohang; Forsch, Nickolas; Taber, Larry

    2014-03-01

    During early development, the tubular brain of the chick embryo undergoes a combination of progressive ventral bending and rightward torsion. This deformation is one of the major organ-level symmetry-breaking events in development. Available evidence suggests that bending is caused by differential growth, but the mechanism for torsion remains poorly understood. Since the heart almost always loops in the same direction that the brain twists, researchers have speculated that heart looping affects the direction of brain torsion. However, direct evidence is virtually nonexistent, nor is the mechanical origin of such torsion understood. In our study, experimental perturbations show that the bending and torsional deformations in the brain are coupled and that the vitelline membrane applies an external load necessary for torsion to occur. In addition, the asymmetry of the looping heart gives rise to the chirality of the twisted brain. A computational model is used to interpret these findings. Our work clarifies the mechanical origins of brain torsion and the associated left-right asymmetry, reminiscent of D'Arcy Thompson's view of biological form as ``diagram of forces''.

  9. Strong CP, flavor, and twisted split fermions

    International Nuclear Information System (INIS)

    Harnik, Roni; Perez, Gilad; Schwartz, Matthew D.; Shirman, Yuri

    2005-01-01

    We present a natural solution to the strong CP problem in the context of split fermions. By assuming CP is spontaneously broken in the bulk, a weak CKM phase is created in the standard model due to a twisting in flavor space of the bulk fermion wavefunctions. But the strong CP phase remains zero, being essentially protected by parity in the bulk and CP on the branes. As always in models of spontaneous CP breaking, radiative corrections to theta bar from the standard model are tiny, but even higher dimension operators are not that dangerous. The twisting phenomenon was recently shown to be generic, and not to interfere with the way that split fermions naturally weaves small numbers into the standard model. It follows that out approach to strong CP is compatible with flavor, and we sketch a comprehensive model. We also look at deconstructed version of this setup which provides a viable 4D model of spontaneous CP breaking which is not in the Nelson-Barr class. (author)

  10. Needleless electrospinning with twisted wire spinneret

    International Nuclear Information System (INIS)

    Holopainen, Jani; Penttinen, Toni; Santala, Eero; Ritala, Mikko

    2015-01-01

    A needleless electrospinning setup named ‘Needleless Twisted Wire Electrospinning’ was developed. The polymer solution is electrospun from the surface of a twisted wire set to a high voltage and collected on a cylindrical collector around the wire. Multiple Taylor cones are simultaneously self-formed on the downward flowing solution. The system is robust and simple with no moving parts aside from the syringe pump used to transport the solution to the top of the wire. The structure and process parameters of the setup and the results on the preparation of polyvinyl pyrrolidone (PVP), hydroxyapatite (HA) and bioglass fibers with the setup are presented. PVP fiber sheets with areas of 40 × 120 cm 2 and masses up to 1.15 g were prepared. High production rates of 5.23 g h −1 and 1.40 g h −1 were achieved for PVP and HA respectively. The major limiting factor of the setup is drying of the polymer solution on the wire during the electrospinning process which will eventually force to interrupt the process for cleaning of the wire. Possible solutions to this problem and other ways to develop the setup are discussed. The presented system provides a simple way to increase the production rate and area of fiber sheet as compared with the conventional needle electrospinning. (paper)

  11. Voltage Losses in Organic Solar Cells: Understanding the Contributions of Intramolecular Vibrations to Nonradiative Recombinations

    KAUST Repository

    Chen, Xiankai

    2017-12-18

    The large voltage losses usually encountered in organic solar cells significantly limit the power conversion efficiencies (PCEs) of these devices, with the result that the current highest PCE values in single-junction organic photovoltaic remain smaller than for other solar cell technologies, such as crystalline silicon or perovskite solar cells. In particular, the nonradiative recombinations to the electronic ground state from the lowest-energy charge-transfer (CT) states at the donor-acceptor interfaces in the active layer of organic devices, are responsible for a significant part of the voltage losses. Here, to better comprehend the nonradiative voltage loss mechanisms, a fully quantum-mechanical rate formula is employed within the framework of time-dependent perturbation theory, combined with density functional theory. The objective is to uncover the specific contributions of intramolecular vibrations to the CT-state nonradiative recombinations in several model systems, which include small-molecule and polymer donors as well as fullerene and nonfullerene acceptors.

  12. Bend-twist coupling potential of wind turbine blades

    DEFF Research Database (Denmark)

    Fedorov, Vladimir; Berggreen, Christian

    2014-01-01

    -twist coupling magnitude of up to 0.2 is feasible to achieve in the baseline blade structure made of glass-fiber reinforced plastics. Further, by substituting the glass-fibers with carbon-fibers the coupling effect can be increased to 0.4. Additionally, the effect of introduction of bend-twist coupling...

  13. Design optimization of a twist compliant mechanism with nonlinear stiffness

    Science.gov (United States)

    Tummala, Y.; Frecker, M. I.; Wissa, A. A.; Hubbard, J. E., Jr.

    2014-10-01

    A contact-aided compliant mechanism called a twist compliant mechanism (TCM) is presented in this paper. This mechanism has nonlinear stiffness when it is twisted in both directions along its axis. The inner core of the mechanism is primarily responsible for its flexibility in one twisting direction. The contact surfaces of the cross-members and compliant sectors are primarily responsible for its high stiffness in the opposite direction. A desired twist angle in a given direction can be achieved by tailoring the stiffness of a TCM. The stiffness of a compliant twist mechanism can be tailored by varying thickness of its cross-members, thickness of the core and thickness of its sectors. A multi-objective optimization problem with three objective functions is proposed in this paper, and used to design an optimal TCM with desired twist angle. The objective functions are to minimize the mass and maximum von-Mises stress observed, while minimizing or maximizing the twist angles under specific loading conditions. The multi-objective optimization problem proposed in this paper is solved for an ornithopter flight research platform as a case study, with the goal of using the TCM to achieve passive twisting of the wing during upstroke, while keeping the wing fully extended and rigid during the downstroke. Prototype TCMs have been fabricated using 3D printing and tested. Testing results are also presented in this paper.

  14. Design optimization of a twist compliant mechanism with nonlinear stiffness

    International Nuclear Information System (INIS)

    Tummala, Y; Frecker, M I; Wissa, A A; Hubbard, J E Jr

    2014-01-01

    A contact-aided compliant mechanism called a twist compliant mechanism (TCM) is presented in this paper. This mechanism has nonlinear stiffness when it is twisted in both directions along its axis. The inner core of the mechanism is primarily responsible for its flexibility in one twisting direction. The contact surfaces of the cross-members and compliant sectors are primarily responsible for its high stiffness in the opposite direction. A desired twist angle in a given direction can be achieved by tailoring the stiffness of a TCM. The stiffness of a compliant twist mechanism can be tailored by varying thickness of its cross-members, thickness of the core and thickness of its sectors. A multi-objective optimization problem with three objective functions is proposed in this paper, and used to design an optimal TCM with desired twist angle. The objective functions are to minimize the mass and maximum von-Mises stress observed, while minimizing or maximizing the twist angles under specific loading conditions. The multi-objective optimization problem proposed in this paper is solved for an ornithopter flight research platform as a case study, with the goal of using the TCM to achieve passive twisting of the wing during upstroke, while keeping the wing fully extended and rigid during the downstroke. Prototype TCMs have been fabricated using 3D printing and tested. Testing results are also presented in this paper. (paper)

  15. Two new twisted helical nickel (II) and cobalt (III) octahedral ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 6. Two new twisted helical nickel(II) and cobalt(III) octahedral monomer complexes: Synthesis and structural characterization. Malay Dolai ... Keywords. Coordination chemistry; nickel(II); cobalt(III); Schiff base; twisted helicity; supramolecular interactions.

  16. Twisted Acceleration-Enlarged Newton-Hooke Hopf Algebras

    International Nuclear Information System (INIS)

    Daszkiewicz, M.

    2010-01-01

    Ten Abelian twist deformations of acceleration-enlarged Newton-Hooke Hopf algebra are considered. The corresponding quantum space-times are derived as well. It is demonstrated that their contraction limit τ → ∞ leads to the new twisted acceleration-enlarged Galilei spaces. (author)

  17. Quadratic Twists of Rigid Calabi–Yau Threefolds Over

    DEFF Research Database (Denmark)

    Gouvêa, Fernando Q.; Kiming, Ian; Yui, Noriko

    2013-01-01

    of weight 4 on some Γ 0(N). We show that quadratic twisting of a threefold corresponds to twisting the attached newform by quadratic characters and illustrate with a number of obvious and not so obvious examples. The question is motivated by the deeper question of which newforms of weight 4 on some Γ 0(N...

  18. Twisted tubular photobioreactor fluid dynamics evaluation for energy consumption minimization

    NARCIS (Netherlands)

    Gómez-Pérez, C.A.; Espinosa Oviedo, J.J.; Montenegro Ruiz, L.C.; Boxtel, van A.J.B.

    2017-01-01

    This paper discusses a new tubular PhotoBioReactor (PBR) called twisted tubular PBR. The geometry of a twisted tubular PBR induces swirl mixing to guarantee good exposure of microalgae to Light-Dark (LD) cycles and to the nutrients and dissolved CO 2 . The paper analyses the energy uptake for fluid

  19. KINEMATIC PROFILES OF DUMBBELL GALAXIES WITH TWISTED RADIO JETS

    NARCIS (Netherlands)

    BALCELLS, M; MORGANTI, R; OOSTERLOO, T; PEREZFOURNON, [No Value; GONZALEZSERRANO, JI

    1995-01-01

    We study the orbital properties of dumbbell galaxies which harbor twisted radio jets. Velocity and velocity dispersion profiles for four dumbbell pairs (3C66B, 3C75, 3C449, 0326+39) are presented. We analyze optical CCD images in search of isophote off-centering and large isophote twists. Combining

  20. Twists of genus three curves over finite fields

    NARCIS (Netherlands)

    Meagher, Stephen; Top, Jakob

    In this article we recall how to describe the twists of a curve over a finite field and we show how to compute the number of rational points on such a twist by methods of linear algebra We illustrate this in the case of plane quartic curves with at least 16 automorphisms In particular we treat the

  1. Enhancement of heat transfer using varying width twisted tape inserts

    African Journals Online (AJOL)

    Enhancement of heat transfer using varying width twisted tape inserts. ... International Journal of Engineering, Science and Technology ... The present work shows the results obtained from experimental investigations of the augmentation of turbulent flow heat transfer in a horizontal tube by means of varying width twisted ...

  2. Preparation of CN x /Carbon Nanotube Intramolecular Junctions by ...

    African Journals Online (AJOL)

    Preparation of CN x /Carbon Nanotube Intramolecular Junctions by Switching Gas Sources in Continuous Chemical Vapour Deposition. ... nanotubes were observed, and such different structures at both sides of the junctions indicated some interesting properties and offered potential applications for future nanodevices.

  3. and Di-hydration on the Intramolecular Proton Transfers and ...

    Indian Academy of Sciences (India)

    of the isomers did not change the stability trend, so that the tri-keto isomer was the most stable isomer among the hydrated and non-hydrated isomers. The activation energies (Ea) of the intramolecular proton transfers. (tautomerisms) and energy barriers of H-rotations around its C-O axis in enolic isomers were calculated.

  4. The intramolecular electron transfer between copper sites of nitrite reductase

    DEFF Research Database (Denmark)

    Farver, O; Eady, R R; Abraham, Z H

    1998-01-01

    The intramolecular electron transfer (ET) between the type 1 Cu(I) and the type 2 Cu(II) sites of Alcaligenes xylosoxidans dissimilatory nitrite reductase (AxNiR) has been studied in order to compare it with the analogous process taking place in ascorbate oxidase (AO). This internal process is in...

  5. Analysis list: Twist1 [Chip-atlas[Archive

    Lifescience Database Archive (English)

    Full Text Available Twist1 Embryo,Neural + mm9 http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Tw...ist1.1.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/target/Twist1.5.tsv http://dbarchive.biosciencedbc....jp/kyushu-u/mm9/target/Twist1.10.tsv http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Twist1.Embryo.tsv,http://dbarchive.bioscien...cedbc.jp/kyushu-u/mm9/colo/Twist1.Neural.tsv http://dbarchive.bioscience...dbc.jp/kyushu-u/mm9/colo/Embryo.gml,http://dbarchive.biosciencedbc.jp/kyushu-u/mm9/colo/Neural.gml ...

  6. MHD Sausage Waves in Compressible Magnetically Twisted Flux Tubes

    Science.gov (United States)

    Fedun, Viktor

    Recent high-resolution satellites clearly prove the existence of various types of theoretically predicted MHD waves in solar atmospheric magnetic structures (loops, arcades ets). Oscillations of magnetic flux tubes are of great importance as they contain information about the geometry and fine structure of the flux tubes. In this work we study the details of the effects caused by the presence of magnetic twist in flux tubes. The propagation of surface and body linear MHD modes in a twisted magnetic flux tube embedded in a magnetically twisted plasma environment is considered. We derive and analytically solve the linear governing equations of wave propagation for sausage surface and body modes of a magnetically-twisted compressible flux tube embedded in a compressible uniformly-magnetized plasma environment in cylindrical geometry in terms of Kummer's functions. Numerical solutions for the phase velocity are obtained for a wide range of wavenumbers and for varying magnetic twist. The effect of magnetic twist on the period of oscillations of sausage surface modes for different values of the wavenumber and vertical magnetic field strength is calculated for representative photospheric and coronal conditions. These results generalize and extend previous studies of MHD waves obtained for incompressible or compressible but non-twisted flux tubes. It is found that magnetic twist may change the period of sausage surface waves by the order of a few per cent when compared to counterparts in straight non-twisted flux tubes. This information will be most relevant, when high-resolution observations are used for diagnostic exploration of MHD wave guides in analogy to solar-interior studies by means of global eigenoscillations in helioseismology. Further detailed analysis is necessary in order to find the dispersion relation for more realistic cases, where the magnetic twist diminishes with distance from the tube. Finally, observational relevances will be discussed in light of the

  7. Expression of EMT Markers SLUG and TWIST in Breast Cancer.

    Science.gov (United States)

    Grzegrzolka, Jedrzej; Biala, Martyna; Wojtyra, Patrycja; Kobierzycki, Christopher; Olbromski, Mateusz; Gomulkiewicz, Agnieszka; Piotrowska, Aleksandra; Rys, Janusz; Podhorska-Okolow, Marzena; Dziegiel, Piotr

    2015-07-01

    The epithelial-mesenchymal transition (EMT) has been observed in progression of in situ breast cancer to the invasive form and might be initiated by snail family zinc finger 2 (SLUG) and twist family bHLH transcription factor 1 (TWIST) protein overexpression. During this phenomenon, cells lose their epithelial phenotype and acquire mesenchymal features. The aim of the study was to examine the association of EMT markers SLUG and TWIST with clinicopathological data and the possibility of using these proteins as prognostic markers of breast cancer. Immunohistochemical analysis (IHC) of SLUG and TWIST expression was performed on archival paraffin samples of 19 cases with fibrocystic breast changes (control group), 148 cases of invasive ductal breast cancer (IDC) and 26 of invasive lobular breast cancer (ILC). Laser capture microdissection for isolation of cells from 17 frozen samples of IDC was employed and subsequently SLUG and TWIST mRNA expression in cancer and stromal cells was detected separately by real-time polymerase chain reaction. SLUG and TWIST expression in IDC was significant higher in stromal cells regardless of the method of quantification used (pSLUG mRNA, and pSLUG IHC, TWIST IHC and TWIST mRNA expression). Positive correlation of SLUG and TWIST protein and mRNA expression was observed in stromal cells of IDC (r=0.347; p<0.0001 and r=0.704; p<0.01, respectively). Expression of TWIST protein in IDC was higher in cancer cells of cases with shorter event-free survival period, as well as in stromal cells of cases with shorter overall survival period (p<0.05 for both). Stromal cells could play a role in the regulation of EMT in breast cancer. Copyright© 2015 International Institute of Anticancer Research (Dr. John G. Delinassios), All rights reserved.

  8. Development of pellet chain for charge carrying

    International Nuclear Information System (INIS)

    Chung, K.H.; Ko, S.K.; Choi, B.H.; Hong, J.H.

    1988-01-01

    This paper reports on the development of pellet chain and charge induction components which are used for charge carrying in electrostatic accelerators. It has very simple structure, and its fabrication cost is low. As the results of the test, first, mechanical vibration is reduced for operation and torsional stress due to belt twisting is removed completely. Second, after insertion of the material with high dielectric constant in charge induction assembly, the capacitance between pellets and inductor is increased. Third, for measurement of the life time of chain, it is continuously on the operation

  9. Excited state intramolecular proton transfer in some tautomeric azo dyes and Schiff bases containing an intramolecular hydrogen bond

    NARCIS (Netherlands)

    Joshi, H.C.; Kamounah, F.S.; Gooijer, C.; van der Zwan, G.; Antonov, L.

    2002-01-01

    Photophysical properties of several basically important aromatic azodyes (1-phenylazo-2-naphthol and 2-phenylazo-1-naphthol) and Schiff bases (N-(2-hydroxy-1-naphthylmethylidene) aniline and N-(1-hydroxy-2-naphthylmethylidene) aniline) all containing an intramolecular hydrogen bond were studied by

  10. Bianisotropic metamaterials based on twisted asymmetric crosses

    International Nuclear Information System (INIS)

    Reyes-Avendaño, J A; Sampedro, M P; Juárez-Ruiz, E; Pérez-Rodríguez, F

    2014-01-01

    The effective bianisotropic response of 3D periodic metal-dielectric structures, composed of crosses with asymmetrically-cut wires, is investigated within a general homogenization theory using the Fourier formalism and the form-factor division approach. It is found that the frequency dependence of the effective permittivity for a system of periodically-repeated layers of metal crosses exhibits two strong resonances, whose separation is due to the cross asymmetry. Besides, bianisotropic metamaterials, having a base of four twisted asymmetric crosses, are proposed. The designed metamaterials possess negative refractive index at frequencies determined by the cross asymmetry, the gap between the arms of adjacent crosses lying on the same plane, and the type of Bravais lattice. (papers)

  11. Twisted Polynomials and Forgery Attacks on GCM

    DEFF Research Database (Denmark)

    Abdelraheem, Mohamed Ahmed A. M. A.; Beelen, Peter; Bogdanov, Andrey

    2015-01-01

    nonce misuse resistance, such as POET. The algebraic structure of polynomial hashing has given rise to security concerns: At CRYPTO 2008, Handschuh and Preneel describe key recovery attacks, and at FSE 2013, Procter and Cid provide a comprehensive framework for forgery attacks. Both approaches rely...... heavily on the ability to construct forgery polynomials having disjoint sets of roots, with many roots (“weak keys”) each. Constructing such polynomials beyond naïve approaches is crucial for these attacks, but still an open problem. In this paper, we comprehensively address this issue. We propose to use...... in an improved key recovery algorithm. As cryptanalytic applications of our twisted polynomials, we develop the first universal forgery attacks on GCM in the weak-key model that do not require nonce reuse. Moreover, we present universal weak-key forgeries for the nonce-misuse resistant AE scheme POET, which...

  12. Unusual presentation of twisted ovarian cyst

    Directory of Open Access Journals (Sweden)

    Vineet V Mishra

    2016-01-01

    Full Text Available Ovarian torsion (also termed as adnexal torsion refers to partial or complete rotation of the ovary and a portion of fallopian tube along its supplying vascular pedicle. It occurs commonly in reproductive age group; more on the right side (60% and often presents with acute lower abdominal pain lasting for few hours and up to 24 h, accounting for 2.7% of acute gynecological conditions. It is one of the devastating conditions, hampering blood supply of ovary which may lead to total necrosis of ovarian tissue and complications, if not diagnosed and managed in time. Hence, we present a case on a twisted ovarian cyst in postmenopausal woman with unusual symptomatology leading to delayed diagnosis and loss of an ovary.

  13. Chiral Response of Twisted Bilayer Graphene

    Science.gov (United States)

    Stauber, T.; Low, T.; Gómez-Santos, G.

    2018-01-01

    We present an effective (minimal) theory for chiral two-dimensional materials. These materials possess an electromagnetic coupling without exhibiting a topological gap. As an example, we study the response of doped twisted bilayers, unveiling unusual phenomena in the zero frequency limit. An in-plane magnetic field induces a huge paramagnetic response at the neutrality point and, upon doping, also gives rise to a substantial longitudinal Hall response. The system also accommodates nontrivial longitudinal plasmonic modes that are associated with a longitudinal magnetic moment, thus endowing them with a chiral character. Finally, we note that the optical activity can be considerably enhanced upon doping and our general approach would enable systematic exploration of 2D material heterostructures with optical activity.

  14. Emission of twisted photons from quantum vacuum

    Science.gov (United States)

    Mendonça, J. T.

    2017-12-01

    Emission of twisted photons, carrying orbital angular momentum, from QED vacuum is considered. This is a new type of radiation which can be excited by a Gaussian laser pulse propagating along the axis of a magnetic wiggler. We consider quantum vacuum as described by the Heisenberg-Euler Lagrangian, and assume propagation of an ultra-intense laser pulse in a static magnetic structure. We show that, in such a configuration, vacuum emission of electromagnetic vortices can occur, at a frequency much larger than that of the intense laser pulse, which can eventually be tuned from the visible up to the XUV range. This new configuration could eventually be useful to reduce classical noise in future experiments.

  15. Dynamical twisted mass fermions and baryon spectroscopy

    International Nuclear Information System (INIS)

    Drach, V.

    2010-06-01

    The aim of this work is an ab initio computation of the baryon masses starting from quantum chromodynamics (QCD). This theory describes the interaction between quarks and gluons and has been established at high energy thanks to one of its fundamental properties: the asymptotic freedom. This property predicts that the running coupling constant tends to zero at high energy and thus that perturbative expansions in the coupling constant are justified in this regime. On the contrary the low energy dynamics can only be understood in terms of a non perturbative approach. To date, the only known method that allows the computation of observables in this regime together with a control of its systematic effects is called lattice QCD. It consists in formulating the theory on an Euclidean space-time and to evaluating numerically suitable functional integrals. First chapter is an introduction to the QCD in the continuum and on a discrete space time. The chapter 2 describes the formalism of maximally twisted fermions used in the European Twisted Mass (ETM) collaboration. The chapter 3 deals with the techniques needed to build hadronic correlator starting from gauge configuration. We then discuss how we determine hadron masses and their statistical errors. The numerical estimation of functional integral is explained in chapter 4. It is stressed that it requires sophisticated algorithm and massive parallel computing on Blue-Gene type architecture. Gauge configuration production is an important part of the work realized during my Ph.D. Chapter 5 is a critical review on chiral perturbation theory in the baryon sector. The two last chapter are devoted to the analysis in the light and strange baryon sector. Systematics and chiral extrapolation are extensively discussed. (author)

  16. Structural and electron diffraction scaling of twisted graphene bilayers

    Science.gov (United States)

    Zhang, Kuan; Tadmor, Ellad B.

    2018-03-01

    Multiscale simulations are used to study the structural relaxation in twisted graphene bilayers and the associated electron diffraction patterns. The initial twist forms an incommensurate moiré pattern that relaxes to a commensurate microstructure comprised of a repeating pattern of alternating low-energy AB and BA domains surrounding a high-energy AA domain. The simulations show that the relaxation mechanism involves a localized rotation and shrinking of the AA domains that scales in two regimes with the imposed twist. For small twisting angles, the localized rotation tends to a constant; for large twist, the rotation scales linearly with it. This behavior is tied to the inverse scaling of the moiré pattern size with twist angle and is explained theoretically using a linear elasticity model. The results are validated experimentally through a simulated electron diffraction analysis of the relaxed structures. A complex electron diffraction pattern involving the appearance of weak satellite peaks is predicted for the small twist regime. This new diffraction pattern is explained using an analytical model in which the relaxation kinematics are described as an exponentially-decaying (Gaussian) rotation field centered on the AA domains. Both the angle-dependent scaling and diffraction patterns are in quantitative agreement with experimental observations. A Matlab program for extracting the Gaussian model parameters accompanies this paper.

  17. Topological duality twist and brane instantons in F-theory

    Science.gov (United States)

    Martucci, Luca

    2014-06-01

    A variant of the topological twist, involving SL(2, ℤ) dualities and hence named topological duality twist, is introduced and explicitly applied to describe a U(1) N = 4 super Yang-Mills theory on a Kähler space with holomorphically space-dependent coupling. Three-dimensional duality walls and two-dimensional chiral theories naturally enter the formulation of the duality twisted theory. Appropriately generalized, this theory is relevant for the study of Euclidean D3-brane instantons in F-theory compactifications. Some of its properties and implications are discussed.

  18. Conformal invariance and pion wave functions of nonleading twist

    International Nuclear Information System (INIS)

    Braun, V.M.; Filyanov, I.E.

    1989-01-01

    The restrictions are studied for the general structure of pion wave functions of twist 3 and twist 4 imposed by the conformal symmetry and the equations of motion. A systematic expansion of wave functions in the conformal spin is built and the first order corrections to asymptotic formulae are calculated by the QCD sum rule method. In particular, we have found a multiplicatively renormalizable contribution into the two-particle wave function of twist 4 which cannot be expanded in a finite set of Gegenbauer polynomials. 19 refs.; 5 figs

  19. Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations

    KAUST Repository

    Vummaleti, Sai V. C.

    2015-11-13

    Density functional theory calculations have been used to investigate the reaction mechanism for the [Rh]-catalyzed intramolecular alkoxyacylation ([Rh] = [RhI(dppp)+] (dppp, 1,3-bis(diphenylphosphino)propane) and [Pd]/BPh3 dual catalytic system assisted intramolecular alkoxycyanation ([Pd] = Pd-Xantphos) using acylated and cyanated 2-allylphenol derivatives as substrates, respectively. Our results substantially confirm the proposed mechanism for both [Rh]- and [Pd]/ BPh3-mediated alkoxyfunctionalizations, offering a detailed geometrical and energetical understanding of all the elementary steps. Furthermore, for the [Rh]-mediated alkoxyacylation, our observations support the hypothesis that the quinoline group of the substrate is crucial to stabilize the acyl metal complex and prevent further decarbonylation. For [Pd]/BPh3-catalyzed alkoxycyanation, our findings clarify how the Lewis acid BPh3 cocatalyst accelerates the only slow step of the reaction, corresponding to the oxidative addition of the cyanate O-CN bond to the Pd center. © 2015 American Chemical Society.

  20. Structure and Intramolecular Proton Transfer of Alanine Radical Cations

    International Nuclear Information System (INIS)

    Lee, Gab Yong

    2012-01-01

    The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the NH 2 group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [NH 3 + -CHCH 3 -COO·], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol

  1. Specific Features of Intramolecular Proton Transfer Reaction in Schiff Bases

    Directory of Open Access Journals (Sweden)

    Aleksander Koll

    2003-06-01

    Full Text Available Abstract: The differences between the intramolecular proton transfer in Mannich and Schiff bases are discussed. The tautomeric forms being in equilibrium in both types of molecules are seriously different. In Mannich bases there are in equilibrium the forms of phenols and phenolates. In Schiff bases each of tautomers is strongly influenced by resonance between zwitterionic and keto structures. Despite the common opinion that the proton transfer forms in compounds with internal π-electronic coupling are mainly keto forms it is shown in this work, that in Schiff bases the content of keto structure is slightly less than zwitterionic one. Almost equal participation of both forms leads to effective resonance between them and stabilization of intramolecular hydrogen bond in this way.

  2. Intramolecular hydrogen bonding and tautomerism in Schiff bases ...

    Indian Academy of Sciences (India)

    N and keto-amine, O…H-N forms) in this series. The molecular structure of 8 has been determined crystallographically, and observed that the compound is in the form of phenol-imine, defined by the strong intramolecular [O-H…N = 1.72(3), 1.81(2) Å] hydrogen bonds. Compound 8 crystallizes in the monoclinic space group ...

  3. Full quantum treatment of charge dynamics in amorphous molecular semiconductors

    Science.gov (United States)

    de Vries, Xander; Friederich, Pascal; Wenzel, Wolfgang; Coehoorn, Reinder; Bobbert, Peter A.

    2018-02-01

    We present a treatment of charge dynamics in amorphous molecular semiconductors that accounts for the coupling of charges to all intramolecular phonon modes in a fully quantum mechanical way. Based on ab initio calculations, we derive charge transfer rates that improve on the widely used semiclassical Marcus rate and obtain benchmark results for the mobility and energetic relaxation of electrons and holes in three semiconductors commonly applied in organic light-emitting diodes. Surprisingly, we find very similar results when using the simple Miller-Abrahams rate. We conclude that extracting the disorder strength from temperature-dependent charge transport studies is very possible but extracting the reorganization energy is not.

  4. Renormalization of quark propagator, vertex functions, and twist-2 operators from twisted-mass lattice QCD at Nf=4

    Science.gov (United States)

    Blossier, Benoît.; Brinet, Mariane; Guichon, Pierre; Morénas, Vincent; Pène, Olivier; Rodríguez-Quintero, Jose; Zafeiropoulos, Savvas

    2015-06-01

    We present a precise nonperturbative determination of the renormalization constants in the mass independent RI'-MOM scheme. The lattice implementation uses the Iwasaki gauge action and four degenerate dynamical twisted-mass fermions. The gauge configurations are provided by the ETM Collaboration. Renormalization constants for scalar, pseudoscalar, vector and axial operators, as well as the quark propagator renormalization, are computed at three different values of the lattice spacing, two volumes and several twisted-mass parameters. The method we developed allows for a precise cross-check of the running, thanks to the particular proper treatment of hypercubic artifacts. Results for the twist-2 operator O44 are also presented.

  5. Investigation of Shielding Properties of Yarns, Twisted with Metal Wire

    Directory of Open Access Journals (Sweden)

    Sandra VARNAITĖ-ŽURAVLIOVA

    2014-04-01

    Full Text Available The development level of the modern techniques and information technologies creates diverse nature electromagnetic fields and electric field accumulations in the human environment. Electrically conductive textiles that protect against electromagnetic waves and electric charge accumulations can be usable as protective covers for work in computer equipment rooms, measuring stands, air and gas filters and so on. One of the methods used in increase of electrical conductivity in textiles is the development of their specific structures (including the development of threads with the metal component. In this paper, unlike the currently used in the world conductive material production method, where different metal fibres are used as an additives to the main fibre composition in order to create a variety of fibres and yarns, a spun yarn with metal wire was prototyped as samples for this research and the parameters of protective properties of these samples were investigated (such as surface resistivity, vertical resistance, etc.. The protective and shielding properties of woven network with prototyped twisted electro conductive thread with a wire (metal wire diameter of 15 microns were investigated. During the investigation the influence of the following factors, such as conductive fibre composition, electrically conductive thread distribution frequency of the longitudinal and transverse direction, on the protective shielding properties of conductive network were analyzed. The research enabled the assessment of influence of electrically conductive fibre yarn composition and its distribution in the woven mesh on protective shielding properties. DOI: http://dx.doi.org/10.5755/j01.ms.20.1.2492

  6. Õnnetu saatusega Oliver Twist Polanski meelevallas / Andres Laasik

    Index Scriptorium Estoniae

    Laasik, Andres, 1960-2016

    2005-01-01

    Mängufilm Charles Dickensi romaani järgi "Oliver Twist" : stsenarist Ronald Harwood : režissöör Roman Polanski : nimiosas Barney Clark, Fagin - Ben Kingsley : Suurbritannia - Tšehhi - Prantsusmaa - Itaalia 2005

  7. Polanski lavastas filmi "Oliver Twist" oma lastele / Andres Laasik

    Index Scriptorium Estoniae

    Laasik, Andres, 1960-2016

    2005-01-01

    Mängufilm "Oliver Twist" Charles Dickensi romaani ainetel esilinastus Prahas, kus toimusid ka filmivõtted. Tšehhi, Suurbritannia, Prantsusmaa ja Itaalia koostöös valminud filmi lavastas Roman Polanski

  8. Twisted Masses and Enhanced Symmetries: the A&D Series

    CERN Document Server

    Orlando, Domenico

    2012-01-01

    We study new symmetries between A and D type quiver gauge theories with different numbers of colors. We realize these gauge theories with twisted masses via a brane construction that reproduces all the parameters of the Gauge/Bethe correspondence.

  9. A Novel Wavelength Demodulation Method Using Twisted High Birefringence Fiber

    International Nuclear Information System (INIS)

    Niu, L Y; Yang, H Y; Wu, F; Li, Z Q

    2006-01-01

    The mathematical model of twisted high birefringence fiber was established through theoretical analysis. A novel FBG wavelength demodulation method was put forward, by using the twisted high birefringence fiber. The numerical simulation and the experiments were carried out to the system. The standard cosine relationship was observed between the output intensity of polarization analyzer and the twist angle for the signal light with different wavelengths. When the twist angle of the high birefringence fiber is 0 and π/2, the output intensity ratio of the system presents the linear relationship with the wavelength approximately. The experiment shows that system is in agreement very well with theoretical analysis to demodulate guasi-linearly FBG wavelength shift in range of about 10 nm

  10. Active-Twist Rotor Control Applications for UAVs

    National Research Council Canada - National Science Library

    Wilbur, Matthew L; Wilkie, W. K

    2004-01-01

    The current state-of-the-art in active-twist rotor control is discussed using representative examples from analytical and experimental studies, and the application to rotary-wing UAVs is considered...

  11. Determination of Elastic Twist in Horizontal Axis Wind Turbines (HAWTs)

    Energy Technology Data Exchange (ETDEWEB)

    Stoddard, F.; Nelson, V.; Starcher, K.; Andrews, B.

    2006-06-01

    This report presents the results of a project at the Alternative Energy Institute (AEI) which measured and calculated the elastic twist of three representative composite horizontal-axis blades: Carter 300, Gougeon ESI 54, and UTRC 8 kW.

  12. Energy Spectrum and Quantum Hall Effect in Twisted Bilayer Graphene

    OpenAIRE

    Moon, Pilkyung; Koshino, Mikito

    2012-01-01

    We investigate the electronic spectra and quantum Hall effect in twisted bilayer graphenes with various rotation angles under magnetic fields, using a model rigorously including the interlayer interaction. We describe the spectral evolution from discrete Landau levels in the weak field regime to the fractal band structure in the strong field regime, and estimate the quantized Hall conductivity for each single gap. In weak magnetic fields, the low-energy conduction band of the twisted bilayer ...

  13. Active-Twist Rotor Control Applications for UAVs

    Science.gov (United States)

    Wilbur, Matthew L.; Wilkie, W. Keats

    2004-01-01

    The current state-of-the-art in active-twist rotor control is discussed using representative examples from analytical and experimental studies, and the application to rotary-wing UAVs is considered. Topics include vibration and noise reduction, rotor performance improvement, active blade tracking, stability augmentation, and rotor blade de-icing. A review of the current status of piezoelectric fiber composite actuator technology, the class of piezoelectric actuators implemented in active-twist rotor systems, is included.

  14. Polarisation of microwave emission from reconnecting twisted coronal loops

    Science.gov (United States)

    Gordovskyy, M.; Browning, P. K.; Kontar, E. P.

    2017-08-01

    Context. Magnetic reconnection and particle acceleration due to the kink instability in twisted coronal loops can be a viable scenario for confined solar flares. Detailed investigation of this phenomenon requires reliable methods for observational detection of magnetic twist in solar flares, which may not be possible solely through extreme UV and soft X-ray thermal emission. Polarisation of microwave emission in flaring loops can be used as one of the detection criteria. Aims: The aim of this study is to investigate the effect of magnetic twist in flaring coronal loops on the polarisation of gyro-synchrotron microwave (GSMW) emission, and determine whether it could provide a means for magnetic twist detection. Methods: We consider time-dependent magnetohydrodynamic and test-particle models developed using the LARE3D and GCA codes to investigate twisted coronal loops that relax after kink instability. Synthetic GSMW emission maps (I and V Stokes components) are calculated using GX simulator. Results: It is found that flaring twisted coronal loops produce GSMW radiation with a gradient of circular polarisation across the loop. However, these patterns may be visible only for a relatively short period of time owing to fast magnetic reconfiguration after the instability. Their visibility also depends on the orientation and position of the loop on the solar disk. Typically, it would be difficult to see these characteristic polarisation patterns in a twisted loop seen from the top (I.e. close to the centre of the solar disk), but easier in a twisted loop seen from the side (I.e. observed very close to the limb).

  15. Wear characteristics of UHMW polyethylene by twist method

    Science.gov (United States)

    Chișiu, G.; Popescu, A. M.; Tudor, A.; Petrescu, A. M.; Stoica, G. F.; Subhi, K. A.

    2018-01-01

    A wear test of the twist movement was performed as a new method to estimate the in vivo wear behavior of an acetabular cup material for total knee replacements. A series of UHMWPE samples was used to evaluate the dynamic coefficient of friction in twist movement in contact with steel. The experimental data were conducted to validate the related theoretical model developed in the present study.

  16. Study of twist boundaries in aluminium. Structure and intergranular diffusion

    International Nuclear Information System (INIS)

    Lemuet, Daniel

    1981-01-01

    This research thesis addresses the study of grain boundaries in oriented crystals, and more particularly the systematic calculation of intergranular structures and energies of twist boundaries of <001> axis in aluminium, the determination of intergranular diffusion coefficients of zinc in a set of twist bi-crystals of same axis encompassing a whole range of disorientations, and the search for a correlation between these experimental results and calculated structures

  17. Lie n-algebras of BPS charges

    Energy Technology Data Exchange (ETDEWEB)

    Sati, Hisham [University of Pittsburgh,Pittsburgh, PA, 15260 (United States); Mathematics Program, Division of Science and Mathematics, New York University Abu Dhabi,Saadiyat Island, Abu Dhabi (United Arab Emirates); Schreiber, Urs [Mathematics Institute of the Academy,Žitna 25, Praha 1, 115 67 (Czech Republic)

    2017-03-16

    We uncover higher algebraic structures on Noether currents and BPS charges. It is known that equivalence classes of conserved currents form a Lie algebra. We show that at least for target space symmetries of higher parameterized WZW-type sigma-models this naturally lifts to a Lie (p+1)-algebra structure on the Noether currents themselves. Applied to the Green-Schwarz-type action functionals for super p-brane sigma-models this yields super Lie (p+1)-algebra refinements of the traditional BPS brane charge extensions of supersymmetry algebras. We discuss this in the generality of higher differential geometry, where it applies also to branes with (higher) gauge fields on their worldvolume. Applied to the M5-brane sigma-model we recover and properly globalize the M-theory super Lie algebra extension of 11-dimensional superisometries by 2-brane and 5-brane charges. Passing beyond the infinitesimal Lie theory we find cohomological corrections to these charges in higher analogy to the familiar corrections for D-brane charges as they are lifted from ordinary cohomology to twisted K-theory. This supports the proposal that M-brane charges live in a twisted cohomology theory.

  18. Helical instability of charged vortices in layered superconductors

    OpenAIRE

    Gurevich, A.

    2010-01-01

    It is shown that the electric charge of vortices can result in a helical instability of straight vortex lines in layered superconductors, particularly Bi-based cuprates or organic superconductors. This instability may result in a phase transition to a uniformly twisted vortex state, which could be detected by torque magnetometry, neutron diffraction, electromagnetic or calorimetric measurements.

  19. Twisting short dsDNA with applied tension

    Science.gov (United States)

    Zoli, Marco

    2018-02-01

    The twisting deformation of mechanically stretched DNA molecules is studied by a coarse grained Hamiltonian model incorporating the fundamental interactions that stabilize the double helix and accounting for the radial and angular base pair fluctuations. The latter are all the more important at short length scales in which DNA fragments maintain an intrinsic flexibility. The presented computational method simulates a broad ensemble of possible molecule conformations characterized by a specific average twist and determines the energetically most convenient helical twist by free energy minimization. As this is done for any external load, the method yields the characteristic twist-stretch profile of the molecule and also computes the changes in the macroscopic helix parameters i.e. average diameter and rise distance. It is predicted that short molecules under stretching should first over-twist and then untwist by increasing the external load. Moreover, applying a constant load and simulating a torsional strain which over-twists the helix, it is found that the average helix diameter shrinks while the molecule elongates, in agreement with the experimental trend observed in kilo-base long sequences. The quantitative relation between percent relative elongation and superhelical density at fixed load is derived. The proposed theoretical model and computational method offer a general approach to characterize specific DNA fragments and predict their macroscopic elastic response as a function of the effective potential parameters of the mesoscopic Hamiltonian.

  20. Twist decomposition of Drell-Yan structure functions: phenomenological implications

    Energy Technology Data Exchange (ETDEWEB)

    Brzemiński, Dawid [Institute of Physics, Jagiellonian University,S. Łojasiewicza 11, 30-348 Kraków (Poland); Cavendish Laboratory, University of Cambridge,19 J.J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Motyka, Leszek; Sadzikowski, Mariusz; Stebel, Tomasz [Institute of Physics, Jagiellonian University,S. Łojasiewicza 11, 30-348 Kraków (Poland)

    2017-01-02

    The forward Drell-Yan process in pp scattering at the LHC at √S=14 TeV is considered. We analyze the Drell-Yan structure functions assuming the dominance of a Compton-like emission of a virtual photon from a fast quark scattering off the small x gluons. The color dipole framework is applied to perform quantitatively the twist decomposition of all the Drell-Yan structure functions. Two models of the color dipole scattering are applied: the Golec-Biernat-Wüsthoff model and the dipole cross section obtained from the Balitsky-Fadin-Kuraev-Lipatov evolution equation. The two models have essentially different higher twist content and the gluon transverse momentum distribution and lead to different significant effects beyond the collinear leading twist description. It is found that the gluon transverse momentum effects are significant in the Drell-Yan structure functions for all Drell-Yan pair masses M, and the higher twist effects become important for M≲10 GeV. It is found that the structure function W{sub TT} related to the A{sub 2} angular coefficient and the Lam-Tung observable A{sub 0}−A{sub 2} are particularly sensitive to the gluon k{sub T} effects and to the higher twist effects. A procedure is suggested how to disentangle the higher twist effects from the gluon transverse momentum effects.

  1. How the embryonic chick brain twists

    Science.gov (United States)

    Guo, Qiaohang; Dai, Eric; Forsch, Nickolas; Taber, Larry A.

    2016-01-01

    During early development, the tubular embryonic chick brain undergoes a combination of progressive ventral bending and rightward torsion, one of the earliest organ-level left–right asymmetry events in development. Existing evidence suggests that bending is caused by differential growth, but the mechanism for the predominantly rightward torsion of the embryonic brain tube remains poorly understood. Here, we show through a combination of in vitro experiments, a physical model of the embryonic morphology and mechanics analysis that the vitelline membrane (VM) exerts an external load on the brain that drives torsion. Our theoretical analysis showed that the force is of the order of 10 micronewtons. We also designed an experiment to use fluid surface tension to replace the mechanical role of the VM, and the estimated magnitude of the force owing to surface tension was shown to be consistent with the above theoretical analysis. We further discovered that the asymmetry of the looping heart determines the chirality of the twisted brain via physical mechanisms, demonstrating the mechanical transfer of left–right asymmetry between organs. Our experiments also implied that brain flexure is a necessary condition for torsion. Our work clarifies the mechanical origin of torsion and the development of left–right asymmetry in the early embryonic brain. PMID:28334695

  2. Twisted conformal field theories and Morita equivalence

    Energy Technology Data Exchange (ETDEWEB)

    Marotta, Vincenzo [Dipartimento di Scienze Fisiche, Universita di Napoli ' Federico II' and INFN, Sezione di Napoli, Compl. universitario M. Sant' Angelo, Via Cinthia, 80126 Napoli (Italy); Naddeo, Adele [CNISM, Unita di Ricerca di Salerno and Dipartimento di Fisica ' E.R. Caianiello' , Universita degli Studi di Salerno, Via Salvador Allende, 84081 Baronissi (Italy); Dipartimento di Scienze Fisiche, Universita di Napoli ' Federico II' , Compl. universitario M. Sant' Angelo, Via Cinthia, 80126 Napoli (Italy)], E-mail: adelenaddeo@yahoo.it

    2009-04-01

    The Morita equivalence for field theories on noncommutative two-tori is analysed in detail for rational values of the noncommutativity parameter {theta} (in appropriate units): an isomorphism is established between an Abelian noncommutative field theory (NCFT) and a non-Abelian theory of twisted fields on ordinary space. We focus on a particular conformal field theory (CFT), the one obtained by means of the m-reduction procedure [V. Marotta, J. Phys. A 26 (1993) 3481; V. Marotta, Mod. Phys. Lett. A 13 (1998) 853; V. Marotta, Nucl. Phys. B 527 (1998) 717; V. Marotta, A. Sciarrino, Mod. Phys. Lett. A 13 (1998) 2863], and show that it is the Morita equivalent of a NCFT. Finally, the whole m-reduction procedure is shown to be the image in the ordinary space of the Morita duality. An application to the physics of a quantum Hall fluid at Jain fillings {nu}=m/(2pm+1) is explicitly discussed in order to further elucidate such a correspondence and to clarify its role in the physics of strongly correlated systems. A new picture emerges, which is very different from the existing relationships between noncommutativity and many body systems [A.P. Polychronakos, arXiv: 0706.1095].

  3. The Latest Twists in Chromatin Remodeling.

    Science.gov (United States)

    Blossey, Ralf; Schiessel, Helmut

    2018-01-05

    In its most restrictive interpretation, the notion of chromatin remodeling refers to the action of chromatin-remodeling enzymes on nucleosomes with the aim of displacing and removing them from the chromatin fiber (the effective polymer formed by a DNA molecule and proteins). This local modification of the fiber structure can have consequences for the initiation and repression of the transcription process, and when the remodeling process spreads along the fiber, it also results in long-range effects essential for fiber condensation. There are three regulatory levels of relevance that can be distinguished for this process: the intrinsic sequence preference of the histone octamer, which rules the positioning of the nucleosome along the DNA, notably in relation to the genetic information coded in DNA; the recognition or selection of nucleosomal substrates by remodeling complexes; and, finally, the motor action on the nucleosome exerted by the chromatin remodeler. Recent work has been able to provide crucial insights at each of these three levels that add new twists to this exciting and unfinished story, which we highlight in this perspective. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  4. Studies on the separation between higher-twist and minimum-twist in the photoproduction experiment WA69 at the CERN-OMEGA spectrometer

    International Nuclear Information System (INIS)

    Kingler, J.

    1990-01-01

    A Lund type Monte Carlo program (LUCIFER) is used to describe in perturbative QCD the pointlike component of the photon interacting on a hydrogen target. Kinematical and topological variables are developed to enhance higher twist events on the lowest order minimum twist background. The emphasis is laid on π ± , K ± higher twist mesons. (orig.)

  5. Fractional instantons and bions in the O(N) model with twisted boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nitta, Muneto [Department of Physics, and Research and Education Center for Natural Sciences, Keio University,Hiyoshi 4-1-1, Yokohama, Kanagawa 223-8521 (Japan)

    2015-03-20

    Recently, multiple fractional instanton configurations with zero instanton charge, called bions, have been revealed to play important roles in quantum field theories on compactified spacetime. In two dimensions, fractional instantons and bions have been extensively studied in the ℂP{sup N−1} model and the Grassmann sigma model on ℝ{sup 1}×S{sup 1} with the ℤ{sub N} symmetric twisted boundary condition. Fractional instantons in these models are domain walls with a localized U(1) modulus twisted half along their world volume. In this paper, we classify fractional instantons and bions in the O(N) nonlinear sigma model on ℝ{sup N−2}×S{sup 1} with more general twisted boundary conditions in which arbitrary number of fields change sign. We find that fractional instantons have more general composite structures, that is, a global vortex with an Ising spin (or a half-lump vortex), a half sine-Gordon kink on a domain wall, or a half lump on a “space-filling brane” in the O(3) model (ℂP{sup 1} model) on ℝ{sup 1}×S{sup 1}, and a global monopole with an Ising spin (or a half-Skyrmion monopole), a half sine-Gordon kink on a global vortex, a half lump on a domain wall, or a half Skyrmion on a “space-filling brane” in the O(4) model (principal chiral model or Skyrme model) on ℝ{sup 2}×S{sup 1}. We also construct bion configurations in these models.

  6. Universal corner entanglement from twist operators

    Energy Technology Data Exchange (ETDEWEB)

    Bueno, Pablo [Instituto de Física Teórica UAM/CSIC, C/Nicolás Cabrera, 13-15, C.University Cantoblanco, 28049 Madrid (Spain); Myers, Robert C.; Witczak-Krempa, William [Perimeter Institute for Theoretical Physics, 31 Caroline Street North, ON N2L 2Y5 (Canada)

    2015-09-15

    The entanglement entropy in three-dimensional conformal field theories (CFTs) receives a logarithmic contribution characterized by a regulator-independent function a(θ) when the entangling surface contains a sharp corner with opening angle θ. In the limit of a smooth surface (θ→π), this corner contribution vanishes as a(θ)=σ (θ−π){sup 2}. In http://arxiv.org/abs/1505.04804, we provided evidence for the conjecture that for any d=3 CFT, this corner coefficient σ is determined by C{sub T}, the coefficient appearing in the two-point function of the stress tensor. Here, we argue that this is an instance of a much more general relation connecting the analogous corner coefficient σ{sub n} appearing in the nth Rényi entropy and the scaling dimension h{sub n} of the corresponding twist operator. In particular, we find the simple relation h{sub n}/σ{sub n}=(n−1)π. We show how it reduces to our previous result as n→1, and explicitly check its validity for free scalars and fermions. With this new relation, we show that as n→0, σ{sub n} yields the coefficient of the thermal entropy, c{sub S}. We also reveal a surprising duality relating the corner coefficients of the scalar and the fermion. Further, we use our result to predict σ{sub n} for holographic CFTs dual to four-dimensional Einstein gravity. Our findings generalize to other dimensions, and we emphasize the connection to the interval Rényi entropies of d=2 CFTs.

  7. Phosphorylation of basic helix-loop-helix transcription factor Twist in development and disease.

    Science.gov (United States)

    Xue, Gongda; Hemmings, Brian A

    2012-02-01

    The transcription factor Twist plays vital roles during embryonic development through regulating/controlling cell migration. However, postnatally, in normal physiological settings, Twist is either not expressed or inactivated. Increasing evidence shows a strong correlation between Twist reactivation and both cancer progression and malignancy, where the transcriptional activities of Twist support cancer cells to disseminate from primary tumours and subsequently establish a secondary tumour growth in distant organs. However, it is largely unclear how this signalling programme is reactivated or what signalling pathways regulate its activity. The present review discusses recent advances in Twist regulation and activity, with a focus on phosphorylation-dependent Twist activity, potential upstream kinases and the contribution of these factors in transducing biological signals from upstream signalling complexes. The recent advances in these areas have shed new light on how phosphorylation-dependent regulation of the Twist proteins promotes or suppresses Twist activity, leading to differential regulation of Twist transcriptional targets and thereby influencing cell fate.

  8. Application to processing system using intra-molecular BRET

    Science.gov (United States)

    Otsuji, Tomomi; Okuda-Ashitaka, Emiko; Kojima, Satoshi; Akiyama, Hidehumi; Ito, Seiji; Ohmiya, Yoshihiro

    2003-07-01

    Luciferases are used as the reporter gene for promoter activity, whereas a green fluorescent protein (GFP) is used as marker for cellular function and localization. Recently, bioluminescence resonance energy transfer (BRET) between luciferase and YFP is used for analysis of inter-molecular reaction such as ligand-receptor in the living cells. The neuropeptides nocistatin (NST) and nociceptin/orphanin FQ (Noc/OFQ) are derived from the same precursor protein, while NST exhibits antagonism against Noc/OFQ-actions. In this study, we attempt an intra-molecular BRET system for monitoring dynamic biological process of the production of NST and Noc/OFQ in the living cells. At first, we constructed a fusion protein (Rluc-GFP) covalently linking luciferase (Renilla luciferase; Rluc) to Aequorea GFP as an intra-molecular BRET partner. Furthermore, we inserted constructs of mouse NST and Noc/OFQ (Rluc-m-GFP) or bovine NST and Noc/OFQ (Rluc-b-GFP) containing a proteolytic cleavage motif (Lys-Arg) within Rluc-GFP. When these constructions were transfected into Cos7 cells, all fusion proteins had luciferase activity and specific fluorescence. Luminescence spectra of Rluc-GFP, Rluc-m-GFP and Rluc-b-GFP fusion proteins with DeepBlueC as a substrate showed two peaks centered at 400 nm and 510 nm, whereas Rluc showed one peak centered at 400 nm. These results indicate that the proteolytic cleavage motif inserted fusion proteins between luciferase and GFP are available for intra-molecular BRET systems at first step.

  9. Intramolecular Hydrogen Bonding in (2-Hydroxybenzoyl)benzoylmethane Enol

    DEFF Research Database (Denmark)

    Hansen, Bjarke Knud Vilster; Winther, Morten; Spanget-Larsen, Jens

    2014-01-01

    , and the dienol form of 1,3-dibenzoylacetone. But in these examples the two H-bonds are equivalent, while in the case of OHDBM they are chemically different, involving one enolic and one phenolic hydroxy group. OHDBM is thus an interesting model compound with two competing H-bonds to the same carbonyl group......In the stable enol tautomer of the title compound (OHDBM), one carbonyl group is flanked by two β-hydroxy groups, giving rise to bifold intramolecular H-bonding. A similar situation is found in other β,β'-dihydroxy carbonyl compounds like chrysazin, anthralin, 2,2'-dihydroxybenzophenone...

  10. Recording Intramolecular Mechanics during the Manipulation of a Large Molecule

    Energy Technology Data Exchange (ETDEWEB)

    Moresco, Francesca; Meyer, Gerhard; Rieder, Karl-Heinz; Tang, Hao; Gourdon, Andre; Joachim, Christian

    2001-08-20

    The technique of single atom manipulation by means of the scanning tunneling microscope (STM) applies to the controlled displacement of large molecules. By a combined experimental and theoretical work, we show that in a constant height mode of manipulation the STM current intensity carries detailed information on the internal mechanics of the molecule when guided by the STM tip. Controlling and time following the intramolecular behavior of a large molecule on a surface is the first step towards the design of molecular tunnel-wired nanorobots.

  11. Human ceruloplasmin. Intramolecular electron transfer kinetics and equilibration

    DEFF Research Database (Denmark)

    Farver, O; Bendahl, L; Skov, L K

    1999-01-01

    Pulse radiolytic reduction of disulfide bridges in ceruloplasmin yielding RSSR(-) radicals induces a cascade of intramolecular electron transfer (ET) processes. Based on the three-dimensional structure of ceruloplasmin identification of individual kinetically active disulfide groups and type 1 (T1...... and indeed electron equilibration between T1A and the trinuclear copper center in the domain 1-6 interface takes place with a rate constant of 2.9 +/- 0.6 s(-1). The equilibrium constant is 0.17. Following reduction of T1A Cu(II), another ET process takes place between RSSR(-) and T1B copper(II) of domain 4...

  12. Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-Nα-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.

    Science.gov (United States)

    Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte

    2016-10-07

    Previous studies have demonstrated that amidic α/β-pseudodipeptides, 1:1 [α/α-N α -Bn-hydrazino], have the ability to fold via a succession of γ-turn (C 7 pseudocycle) and hydrazinoturn in CDCl 3 solution, their amide terminals enabling the formation of an intramolecular H-bond network. Despite their lack of a primary amide terminals allowing the formation of the hydrazinoturn, their ester counterparts 1-4 were proven to self-assemble into C 6 and C 7 pseudocycles by intramolecular H-bonds in solution state and into an uncommon twisted parallel β-sheet through intermolecular H-bonding in the crystal state to form a supramolecular helix, with eight molecules needed to complete a full 360° rotation. Such self-organization (with eight molecules) has only been observed in a specific α/α-pseudodipeptide, depsipeptide (Boc-Leu-Lac-OEt). Relying on IR absorption, NMR, X-ray diffraction, and CD analyses, the aim of this study was to demonstrate that stereoisomers of ester 1:1 [α/α-N α -Bn-hydrazino] pseudodipeptides 1-4 are able to self-assemble into this β-helical structure. The absolute configuration of the asymmetric C α -atom of the α-amino acid residue influences the left- or right-handed twist without changing the pitch of the formed helix.

  13. Progress in simulations with twisted mass fermions at the physical point

    International Nuclear Information System (INIS)

    Abdel-Rehim, A.

    2014-11-01

    In this contribution, results from N f =2 lattice QCD simulations at one lattice spacing using twisted mass fermions with a clover term at the physical pion mass are presented. The mass splitting between charged and neutral pions (including the disconnected contribution) is shown to be around 20(20) MeV. Further, a first measurement using the clover twisted mass action of the average momentum fraction of the pion is given. Finally, an analysis of pseudoscalar meson masses and decay constants is presented involving linear interpolations in strange and charm quark masses. Matching to meson mass ratios allows the calculation of quark mass ratios: μ s /μ l =27.63(13), μ c /μ l =339.6(2.2) and μ c /μ s =12.29(10). From this mass matching the quantities f K =153.9(7.5) MeV, f D =219(11) MeV, f D s =255(12) MeV and M D s =1894(93) MeV are determined without the application of finite volume or discretization artefact corrections and with errors dominated by a preliminary estimate of the lattice spacing.

  14. Ultrafast intramolecular charge transfer in tetrapyrazinoporphyrazines controls the quantum yields of fluorescence and singlet oxygen

    Czech Academy of Sciences Publication Activity Database

    Nováková, V.; Zimčík, P.; Miletín, M.; Váchová, L.; Kopecký, K.; Lang, Kamil; Chábera, P.; Polívka, T.

    2010-01-01

    Roč. 12, č. 11 (2010), s. 2555-2563 ISSN 1463-9076 R&D Projects: GA ČR GA203/07/1424 Institutional research plan: CEZ:AV0Z40320502 Keywords : photoinduced electron-transfer * phthalocyanine -fullerene ensembles * nonlinear-optical properties Subject RIV: CA - Inorganic Chemistry Impact factor: 3.454, year: 2010

  15. Intramolecular Charge Transfer of Conjugated Liquid Crystal Ferrocene Macromolecules - Synthesis and Characterization

    Science.gov (United States)

    2016-04-12

    properties are of interest because polarized light emitters or light absorption devices, such as OLEDS, solar cells or wave guides, filters and Faraday... distilled from KOH, THF (Aldrich) was also first distilled from KOH and then from sodium benzophenone until the typical blue complex was formed. All

  16. Comments on twisted indices in 3d supersymmetric gauge theories

    Energy Technology Data Exchange (ETDEWEB)

    Closset, Cyril [Simons Center for Geometry and PhysicsState University of New York, Stony Brook, NY 11794 (United States); Kim, Heeyeon [Perimeter Institute for Theoretical Physics31 Caroline Street North, Waterloo, N2L 2Y5, Ontario (Canada)

    2016-08-09

    We study three-dimensional N=2 supersymmetric gauge theories on Σ{sub g}×S{sup 1} with a topological twist along Σ{sub g}, a genus-g Riemann surface. The twisted supersymmetric index at genus g and the correlation functions of half-BPS loop operators on S{sup 1} can be computed exactly by supersymmetric localization. For g=1, this gives a simple UV computation of the 3d Witten index. Twisted indices provide us with a clean derivation of the quantum algebra of supersymmetric Wilson loops, for any Yang-Mills-Chern-Simons-matter theory, in terms of the associated Bethe equations for the theory on ℝ{sup 2}×S{sup 1}. This also provides a powerful and simple tool to study 3d N=2 Seiberg dualities. Finally, we study A- and B-twisted indices for N=4 supersymmetric gauge theories, which turns out to be very useful for quantitative studies of three-dimensional mirror symmetry. We also briefly comment on a relation between the S{sup 2}×S{sup 1} twisted indices and the Hilbert series of N=4 moduli spaces.

  17. Terminal twist-induced writhe of DNA with intrinsic curvature.

    Science.gov (United States)

    Hu, Kai

    2007-04-01

    Supercoiling of a closed circular DNA rod may result from an application of terminal twist to the DNA rod by cutting the rod, rotating one of the cut faces as the other being fixed and then sealing the cut. According to White's formula, DNA supercoiling is probably accompanied by a writhe of the DNA axis. Deduced from the elastic rod model for DNA structure, an intrinsically straight closed circular DNA rod does not writhe as subject to a terminal twist, until the number of rotation exceeds a rod-dependent threshold. By contrast, a closed circular DNA rod with intrinsic curvature writhes instantly as subject to a terminal twist. This noteworthy character in fact belongs to many intrinsically curved DNA rods. By solving the dynamic equations, the linearization of the Euler-Lagrange equations governing intrinsically curved DNA rods, this paper shows that almost every clamped-end intrinsically curved DNA rod writhes instantly when subject to a terminal twist (clamped-end DNA rods include closed circular DNA rods and topological domains of open DNA rods). In terms of physical quantities, the exceptions are identified with points in R(6) whose projections onto R(5) (through ignoring the total energy density of a rod) form a subset of a quadratic hypersurface. This paper also suggests that the terminal twist induced writhe is due to the elasticity and the clamped-end boundary conditions of the DNA rods.

  18. Finite element and analytical models for twisted and coiled actuator

    Science.gov (United States)

    Tang, Xintian; Liu, Yingxiang; Li, Kai; Chen, Weishan; Zhao, Jianguo

    2018-01-01

    Twisted and coiled actuator (TCA) is a class of recently discovered artificial muscle, which is usually made by twisting and coiling polymer fibers into spring-like structures. It has been widely studied since discovery due to its impressive output characteristics and bright prospects. However, its mathematical models describing the actuation in response to the temperature are still not fully developed. It is known that the large tensile stroke is resulted from the untwisting of the twisted fiber when heated. Thus, the recovered torque during untwisting is a key parameter in the mathematical model. This paper presents a simplified model for the recovered torque of TCA. Finite element method is used for evaluating the thermal stress of the twisted fiber. Based on the results of the finite element analyses, the constitutive equations of twisted fibers are simplified to develop an analytic model of the recovered torque. Finally, the model of the recovered torque is used to predict the deformation of TCA under varying temperatures and validated against experimental results. This work will enhance our understanding of the deformation mechanism of TCAs, which will pave the way for the closed-loop position control.

  19. The Twist Tensor Nuclear Norm for Video Completion.

    Science.gov (United States)

    Hu, Wenrui; Tao, Dacheng; Zhang, Wensheng; Xie, Yuan; Yang, Yehui

    2017-12-01

    In this paper, we propose a new low-rank tensor model based on the circulant algebra, namely, twist tensor nuclear norm (t-TNN). The twist tensor denotes a three-way tensor representation to laterally store 2-D data slices in order. On one hand, t-TNN convexly relaxes the tensor multirank of the twist tensor in the Fourier domain, which allows an efficient computation using fast Fourier transform. On the other, t-TNN is equal to the nuclear norm of block circulant matricization of the twist tensor in the original domain, which extends the traditional matrix nuclear norm in a block circulant way. We test the t-TNN model on a video completion application that aims to fill missing values and the experiment results validate its effectiveness, especially when dealing with video recorded by a nonstationary panning camera. The block circulant matricization of the twist tensor can be transformed into a circulant block representation with nuclear norm invariance. This representation, after transformation, exploits the horizontal translation relationship between the frames in a video, and endows the t-TNN model with a more powerful ability to reconstruct panning videos than the existing state-of-the-art low-rank models.

  20. Intramolecularly coordinated azobenzene selenium derivatives: effect of strength of the Se···N intramolecular interaction on luminescence.

    Science.gov (United States)

    Srivastava, Kriti; Chakraborty, Tapash; Singh, Harkesh B; Butcher, Ray J

    2011-05-07

    A series of selenium derivatives (6-12) of 2-phenylazophenyl have been synthesized using o-lithiation route. The effect of the strength of the intramolecular Se···N interaction on the absorption spectra as well as emission spectra has been studied. The studies suggest that the secondary bonding Se···N interaction give rise to fluorescence, however, the strength of Se···N interaction cannot be directly correlated with the intensity of the fluorescence. TD-DFT calculations show that the main transition involved in the absorption spectra of the compound is the ligand based π-π* type.

  1. TDDFT study on excited state intramolecular proton transfer mechanism in 2-amino-3-(2‧-benzazolyl)-quinolines

    Science.gov (United States)

    Jia, Xueli; Li, Chaozheng; Li, Donglin; Liu, Yufang

    2018-03-01

    The intramolecular proton transfer reaction of the 2-amino-3-(2‧-benzoxazolyl)-quinoline (ABO) and 2-amino-3-(2‧-benzothiazolyl)-quinoline (ABT) molecules in both S0 and S1 states at B3LYP/6-311 ++G(d,p) level in ethanol solvent have been studied to reveal the deactivation mechanism of the tautomers of the two molecules from the S1 state to the S0 state. The results show that the tautomers of ABO and ABT molecules may return to the S0 state by emitting fluorescence. In addition, the bond lengths, angles and infrared spectra are analyzed to confirm the hydrogen bonds strengthened upon photoexcitation, which can facilitate the proton transfer process. The frontier molecular orbitals (MOs) and natural bond orbital (NBO) are also calculated to indicate the intramolecular charge transfer which can be used to explore the tendency of ESIPT reaction. The potential energy surfaces of the ABO and ABT molecules in the S0 and S1 states have been constructed. According to the energy potential barrier of 9.12 kcal/mol for ABO molecule and 5.96 kcal/mol for ABT molecule, it can be indicated that the proton transfer may occur in the S1 state.

  2. Intramolecular photoinduced proton transfer in 2-(2′-hydroxyphenyl)benzazole family: A TD-DFT quantum chemical study

    Energy Technology Data Exchange (ETDEWEB)

    Roohi, Hossein, E-mail: hroohi@guilan.ac.ir; Mohtamedifar, Nafiseh; Hejazi, Fahemeh

    2014-11-24

    Highlights: • PBE1PBE/TD method was used to study the ESIPT process in the benzazole family. • Potential energy curves in ground and excited states were calculated. • Effect of substitution in benzazole ring on the ESIPT process was investigated. • In contrast to S{sub 0} state, keto form of the molecules can be formed at the S{sub 1} state. • The photophysical properties of the compounds were calculated. - Abstract: In this work, intramolecular photoinduced proton transfer in 2-(2′-hydroxyphenyl)benzazole family (HBO, HBI and HBT) was investigated using TD-DFT calculations at PBE1PBE/6-311++G(2d,2p) level of theory. The potential energy surfaces were employed to explore the proton transfer reactions in both states. In contrast to the ground state, photoexcitation from S{sub 0} state to S{sub 1} one encourages the operation of the excited-state intramolecular proton transfer process. Structural parameters, H-bonding energy, absorption and emission bands, vertical excitation and emission energies, oscillator strength, fluorescence rate constant, dipole moment, atomic charges and electron density at critical points were calculated. Molecular orbital analysis shows that vertical S{sub 0} → S{sub 1} transition in the studied molecules corresponds essentially to the excitation from HOMO (π) to LUMO (π{sup ∗}). Our calculated results are in good agreement with the experimental observations.

  3. Heterocycles by Transition Metals Catalyzed Intramolecular Cyclization of Acetylene Compounds

    International Nuclear Information System (INIS)

    Vizer, S.A.; Yerzhanov, K.B.; Dedeshko, E.C.

    2003-01-01

    Review shows the new strategies in the synthesis of heterocycles, having nitrogen, oxygen and sulfur atoms, via transition metals catalyzed intramolecular cyclization of acetylenic compounds on the data published at the last 30 years, Unsaturated heterocyclic compounds (pyrroles and pyrroline, furans, dihydro furans and benzofurans, indoles and iso-indoles, isoquinolines and isoquinolinones, aurones, iso coumarins and oxazolinone, lactams and lactones with various substitutes in heterocycles) are formed by transition metals, those salts [PdCl 2 , Pd(OAc) 2 , HgCl 2 , Hg(OAc) 2 , Hg(OCOCF 3 ) 2 , AuCl 3 ·2H 2 O, NaAuCl 4 ·2H 2 O, CuI, CuCl], oxides (HgO) and complexes [Pd(OAc) 2 (PPh 3 )2, Pd(PPh 3 ) 4 , PdCl 2 (MeCN) 2 , Pd(OAc ) 2 /TPPTS] catalyzed intramolecular cyclization of acetylenic amines, amides, ethers, alcohols, acids, ketones and βdiketones. More complex hetero polycyclic systems typical for natural alkaloids can to obtain similar. Proposed mechanisms of pyrroles, isoquinolines, iso indoles and indoles, benzofurans and iso coumarins, thiazolopyrimidinones formation are considered. (author)

  4. Three-dimensional mechanical metamaterials with a twist.

    Science.gov (United States)

    Frenzel, Tobias; Kadic, Muamer; Wegener, Martin

    2017-11-24

    Rationally designed artificial materials enable mechanical properties that are inaccessible with ordinary materials. Pushing on an ordinary linearly elastic bar can cause it to be deformed in many ways. However, a twist, the counterpart of optical activity in the static case, is strictly zero. The unavailability of this degree of freedom hinders applications in terms of mode conversion and the realization of advanced mechanical designs using coordinate transformations. Here, we aim at realizing microstructured three-dimensional elastic chiral mechanical metamaterials that overcome this limitation. On overall millimeter-sized samples, we measure twists per axial strain exceeding 2°/%. Scaling up the number of unit cells for fixed sample dimensions, the twist is robust due to metamaterial stiffening, indicating a characteristic length scale and bringing the aforementioned applications into reach. Copyright © 2017, American Association for the Advancement of Science.

  5. Twisted vertex algebras, bicharacter construction and boson-fermion correspondences

    International Nuclear Information System (INIS)

    Anguelova, Iana I.

    2013-01-01

    The boson-fermion correspondences are an important phenomena on the intersection of several areas in mathematical physics: representation theory, vertex algebras and conformal field theory, integrable systems, number theory, cohomology. Two such correspondences are well known: the types A and B (and their super extensions). As a main result of this paper we present a new boson-fermion correspondence of type D-A. Further, we define a new concept of twisted vertex algebra of order N, which generalizes super vertex algebra. We develop the bicharacter construction which we use for constructing classes of examples of twisted vertex algebras, as well as for deriving formulas for the operator product expansions, analytic continuations, and normal ordered products. By using the underlying Hopf algebra structure we prove general bicharacter formulas for the vacuum expectation values for two important groups of examples. We show that the correspondences of types B, C, and D-A are isomorphisms of twisted vertex algebras

  6. From starproducts to Drinfeld-twists. Present and future applications

    International Nuclear Information System (INIS)

    Koch, Florian

    2008-01-01

    Physics comes up with models that invoke noncommutative structures in configuration space. Such structures are dual to the deformed coalgebra sector of a represented symmetry algebra. In the mean time such deformations are performed in terms of the symmetry algebra itself via twists or quasitriangular structures. One might thus find oneself in the bad situation that the symmetry algebra is not large enough to provide the required twist that dually matches the noncommutative structure found. It thus has to remain in the unpleasant state of being without any notion of symmetry. We show how starproducts can be pushed to twists by introducing a larger algebra that accommodates any finite dimensional representation of a Lie-algebra. This new algebra is similar to a Heisenberg-algebra but in contrast to the latter can be enhanced to a Hopf-algebra. Some Examples are given. (author)

  7. Fast Torsional Artificial Muscles from NiTi Twisted Yarns.

    Science.gov (United States)

    Mirvakili, Seyed M; Hunter, Ian W

    2017-05-17

    Torsional artificial muscles made of multiwalled carbon nanotube/niobium nanowire yarns have shown remarkable torsional speed and gravimetric torque. The muscle structure consists of a twisted yarn with half of its length infiltrated with a stimuli-responsive guest material such as paraffin wax. The volumetric expansion of the guest material creates the torsional actuation in the yarn. In the present work, we show that this type of actuation is not unique to wax-infiltrated carbon multiwalled nanotube (MWCNT) or niobium nanowire yarns and that twisted yarn of NiTi alloy fibers also produces fast torsional actuation. By gold-plating half the length of a NiTi twisted yarn and Joule heating it, we achieved a fully reversible torsional actuation of up to 16°/mm with peak torsional speed of 10 500 rpm and gravimetric torque of 8 N·m/kg. These results favorably compare to those of MWCNTs and niobium nanowire yarns.

  8. Controlled Conjugated Backbone Twisting for an Increased Open-Circuit Voltage while Having a High Short-Circuit Current in Poly(hexylthiophene) Derivatives

    KAUST Repository

    Ko, Sangwon

    2012-03-21

    Conjugated polymers with nearly planar backbones have been the most commonly investigated materials for organic-based electronic devices. More twisted polymer backbones have been shown to achieve larger open-circuit voltages in solar cells, though with decreased short-circuit current densities. We systematically impose twists within a family of poly(hexylthiophene)s and examine their influence on the performance of polymer:fullerene bulk heterojunction (BHJ) solar cells. A simple chemical modification concerning the number and placement of alkyl side chains along the conjugated backbone is used to control the degree of backbone twisting. Density functional theory calculations were carried out on a series of oligothiophene structures to provide insights on how the sterically induced twisting influences the geometric, electronic, and optical properties. Grazing incidence X-ray scattering measurements were performed to investigate how the thin-film packing structure was affected. The open-circuit voltage and charge-transfer state energy of the polymer:fullerene BHJ solar cells increased substantially with the degree of twist induced within the conjugated backbone-due to an increase in the polymer ionization potential-while the short-circuit current decreased as a result of a larger optical gap and lower hole mobility. A controlled, moderate degree of twist along the poly(3,4-dihexyl-2,2′:5′,2′′- terthiophene) (PDHTT) conjugated backbone led to a 19% enhancement in the open-circuit voltage (0.735 V) vs poly(3-hexylthiophene)-based devices, while similar short-circuit current densities, fill factors, and hole-carrier mobilities were maintained. These factors resulted in a power conversion efficiency of 4.2% for a PDHTT:[6,6]-phenyl-C 71-butyric acid methyl ester (PC 71BM) blend solar cell without thermal annealing. This simple approach reveals a molecular design avenue to increase open-circuit voltage while retaining the short-circuit current. © 2012 American

  9. Three-dimensional anomalous twisted gauge theories with global symmetry: Implications for quantum spin liquids

    Science.gov (United States)

    Ye, Peng

    2018-03-01

    Topological spin liquids can be described by topological gauge theories with global symmetry. Due to the presence of both nontrivial bulk deconfined gauge fluxes and global symmetry, topological spin liquids are examples of the so-called "symmetry enriched topological phases" (SETs). In this paper, we find that, in some twisted versions of topological gauge theories (with discrete Abelian gauge group Gg), implementing a global symmetry (denoted by Gs) is anomalous although symmetry charge carried by topological pointlike excitations is normally fractionalized and classified by the second cohomology group. To demonstrate the anomaly, we fully gauge the global symmetry, rendering a new gauge theory that is not gauge invariant. Therefore, the SET order of the ground state is anomalous, which cannot exist in the three-dimensional system alone. Such an anomalous state construction generalizes the "2D surface topological order" to three dimensions. A concrete example with Gg=Z2×Z4 and Gs=Z2 is calculated.

  10. Note on the rank of quadratic twists of Mordell equations

    OpenAIRE

    Chang, Sungkon

    2005-01-01

    14H52 : Elliptic curves Let E be the elliptic curve given by a Mordell equation y^2=x^3-A where A is an integer. For certain A, we use Stoll's formula to compute a lower bound for the proportion of square-free integers D up to X such that the Mordell-Weil rank of the quadratic twist by D is less than 2k, for given non-negative k. We also compute an upper bound for a certain average rank of quadratic twists of E.

  11. On the role of higher twists in describing scaling violation

    International Nuclear Information System (INIS)

    Chyla, J.; Rames, J.

    1986-06-01

    A method of comparing the QCD predictions for nucleon structure functions scaling violation with deep inelastic scattering data is proposed, the main feature of which being the assumption that the value of Λ QCD parameter is known independently of perturbative analyses. We conjecture that a suitable way of determination Λ is through lattice Monte Carlo calculations of quantities like hadronic masses and consider the Λ MS -bar value thus found around 100 MeV. The method is then used for quantitative analysis of twist 4 contributions, and problems related to higher twist effects determination are discussed

  12. Borel resummation of soft gluon radiation and higher twists

    International Nuclear Information System (INIS)

    Forte, Stefano; Ridolfi, Giovanni; Rojo, Joan; Ubiali, Maria

    2006-01-01

    We show that the well-known divergence of the perturbative expansion of resummed results for processes such as deep-inelastic scattering and Drell-Yan in the soft limit can be treated by Borel resummation. The divergence in the Borel inversion can be removed by the inclusion of suitable higher twist terms. This provides us with an alternative to the standard 'minimal prescription' for the asymptotic summation of the perturbative expansion, and it gives us some handle on the role of higher twist corrections in the soft resummation region

  13. Gerbes over posets and twisted C*-dynamical systems

    OpenAIRE

    Vasselli, Ezio

    2017-01-01

    A base $\\Delta$ generating the topology of a space $M$ becomes a partially ordered set (poset), when ordered under inclusion of open subsets. Given a precosheaf over $\\Delta$ of fixed-point spaces (typically C*-algebras) under the action of a group $G$, in general one cannot find a precosheaf of $G$-spaces having it as fixed-point precosheaf. Rather one gets a gerbe over $\\Delta$, that is, a "twisted precosheaf" whose twisting is encoded by a cocycle with coefficients in a suitable 2-group. W...

  14. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

    20 years ago fractional charges were imagined to explain values of conductivity in some materials. Recent experiments have proved the existence of charges whose value is the third of the electron charge. This article presents the experimental facts that have led theorists to predict the existence of fractional charges from the motion of quasi-particles in a linear chain of poly-acetylene to the quantum Hall effect. According to the latest theories, fractional charges are neither bosons nor fermions but anyons, they are submitted to an exclusive principle that is less stringent than that for fermions. (A.C.)

  15. A Critical Check for the Role of Resonance in Intramolecular Hydrogen Bonding.

    Science.gov (United States)

    Jiang, Xiaoyu; Zhang, Huaiyu; Wu, Wei; Mo, Yirong

    2017-11-27

    Although resonance-assisted H-bonds (RAHBs) are well recognized, the role of π resonance in RAHBs is controversial, as the seemingly enhanced H-bonds in unsaturated compounds may result from the constraints imposed by the σ skeleton. Herein the block-localized wave function (BLW) method, which can derive optimal yet resonance-quenched structures with related physiochemical properties, was employed to examine the correlation between π resonance and the strength of intramolecular RAHBs. Examination of a series of paradigmatic molecules with RAHBs and their saturated analogues showed that it is inappropriate to compare a conjugated system with its saturated counterpart, as they may have quite different σ frameworks. Nevertheless, comparison between a conjugated system and its resonance-quenched (i.e., electron-localized) state, which have identical σ skeletons, shows that in all studied cases, π resonance unanimously reduces the bonding distance by 0.111-0.477 Å, strengthens the bonding by 40-56 %, and redshifts the D-H vibrational frequency by 104-628 cm -1 . Furthermore, there is an excellent correlation between hydrogen-bonding strength and the classical Coulomb attraction between the hydrogen-bond donor and the acceptor, which suggests that the dominant role of the electrostatic interaction in H-bonds and RAHBs originates from the charge flow from H-bond donors to acceptors through π conjugation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Twist1 suppresses senescence programs and thereby accelerates and maintains mutant Kras-induced lung tumorigenesis

    DEFF Research Database (Denmark)

    Tran, Phuoc T; Shroff, Emelyn H; Burns, Timothy F

    2012-01-01

    overexpressed in primary human lung tumors. The suppression of TWIST1 in human lung cancer cells also induced cellular senescence. Hence, TWIST1 is a critical regulator of cellular senescence programs, and the suppression of TWIST1 in human tumors may be an effective example of pro-senescence therapy....... mouse model and in human lung tumors that the inhibition of Twist1 restores a senescence program inducing the loss of a neoplastic phenotype. The Twist1 gene encodes for a transcription factor that is essential during embryogenesis. Twist1 has been suggested to play an important role during tumor...... progression. However, there is no in vivo evidence that Twist1 plays a role in autochthonous tumorigenesis. Through two novel transgenic mouse models, we show that Twist1 cooperates with Kras(G12D) to markedly accelerate lung tumorigenesis by abrogating cellular senescence programs and promoting...

  17. A theoretical investigation on the regioselectivity of the intramolecular hetero Diels-Alder and 1,3-dipolar cycloaddition of 2-vinyloxybenzaldehyde derivatives

    Directory of Open Access Journals (Sweden)

    Hamzehloueian Mahshid

    2014-01-01

    Full Text Available The present study reports a systematic computational analysis of the two possible pathways, fused and bridged, for an intramolecular hetero Diels-Alder (IMHDA and an intramolecular 1,3-dipolar cycloaddition (IMDCA of 2-vinyloxybenzaldehyde derivatives. The potential energy surface analysis for both reactions is in agreement with experimental observations. The activation energies associated with the two regioisomeric channels in IMHDA reaction show that the bridged product is favored, although in IMDCA, the most stable TS results the fused product. The global electronic properties of fragments within each molecule were studied to discuss the reactivity patterns and charge transfer direction in the intramolecular processes. The asynchronicity of the bond formation and aromaticity of the optimized TSs in the Diels-Alder reaction as well as cycloaddition reaction were evaluated. Finally, 1H NMR chemical shifts of the possible regioisomers have been calculated using the GIAO method which of the most stable products are in agreement with the experimental data in the both reaction.

  18. Reações intramoleculares como modelos não miméticos de catálise enzimática Intramolecular reactions as non mimetic models of enzyme catalysis

    Directory of Open Access Journals (Sweden)

    José Carlos Gesser

    1997-12-01

    Full Text Available This review gives a critical idea on the importance of intramolecular reactions as models for enzymatic catalysis. Intramolecular lactonizations, ester and amide hydrolysis studies result in theories which try to explain the difference between intermolecular, intramolecular and enzyme reactions and rationalize the enhancement promoted by these biological catalyst.

  19. Insights into the Intramolecular Properties of η6-Arene-Ru-Based Anticancer Complexes Using Quantum Calculations

    Directory of Open Access Journals (Sweden)

    Adebayo A. Adeniyi

    2013-01-01

    Full Text Available The factors that determine the stability and the effects of noncovalent interaction on the η6-arene ruthenium anticancer complexes are determined using DFT method. The intramolecular and intra-atomic properties were computed for two models of these half-sandwich ruthenium anticancer complexes and their respective hydrated forms. The results showed that the stability of these complexes depends largely on the network of hydrogen bonds (HB, strong nature of charge transfer, polarizability, and electrostatic energies that exist within the complexes. The hydrogen bonds strength was found to be related to the reported anticancer activities and the activation of the complexes by hydration. The metal–ligand bonds were found to be closed shell systems that are characterised by high positive Laplacian values of electron density. Two of the complexes are found to be predominantly characterised by LMCT while the other two are predominately characterised by MLCT.

  20. Vafa-Witten theory on N = 2 and N = 4 twisted superspace in four dimensions

    International Nuclear Information System (INIS)

    Kato, Junji; Miyake, Akiko

    2009-01-01

    We construct a new off-shell twisted real form of the hypermultiplet with a scalar and an anti-self-dual tensor superfields. Using the N = 2 twisted superspace formalism, we construct a Donaldson-Witten theory coupled to the real form of the hypermultiplet. We show that this action possesses the Vafa-Witten type N = 4 twisted supersymmetry at the on-shell level. We also reconstruct the action using a N = 4 twisted superconnection formalism.

  1. On the space of connections having non-trivial twisted harmonic spinors

    Energy Technology Data Exchange (ETDEWEB)

    Bei, Francesco, E-mail: bei@math.hu-berlin.de [Institut für Mathematik, Humboldt Universität zu Berlin, Unter den Linden 6, 10099 Berlin (Germany); Waterstraat, Nils, E-mail: n.waterstraat@kent.ac.uk [School of Mathematics, Statistics & Actuarial Science, University of Kent, Canterbury, Kent CT2 7NF (United Kingdom)

    2015-09-15

    We consider Dirac operators on odd-dimensional compact spin manifolds which are twisted by a product bundle. We show that the space of connections on the twisting bundle which yields an invertible operator has infinitely many connected components if the untwisted Dirac operator is invertible and the dimension of the twisting bundle is sufficiently large.

  2. Mathematical simulation of a twisted pseudoplastic fluid flow in a cylindrical channel

    Science.gov (United States)

    Matvienko, O. V.; Bazuev, V. P.; Yuzhanova, N. K.

    2011-05-01

    The results of investigations of a pseudoplastic fluid twisted flow in a cylindrical channel are presented. With increase in the shear stresses caused by the flow twisting, the effective viscosity decreases. As a result, in the axial part of the channel a zone of lower pressure is formed which, at smaller flow twisting, leads to the formation of the zone of backward flows.

  3. On the space of connections having non-trivial twisted harmonic spinors

    International Nuclear Information System (INIS)

    Bei, Francesco; Waterstraat, Nils

    2015-01-01

    We consider Dirac operators on odd-dimensional compact spin manifolds which are twisted by a product bundle. We show that the space of connections on the twisting bundle which yields an invertible operator has infinitely many connected components if the untwisted Dirac operator is invertible and the dimension of the twisting bundle is sufficiently large

  4. Intramolecular electron transfer in single-site-mutated azurins

    DEFF Research Database (Denmark)

    Farver, O; Skov, L K; Pascher, T

    1993-01-01

    . Natl. Acad. Sci. U.S.A. 86, 6968-6972]. The RSSR- radical produced in the above reaction was reoxidized in a slower intramolecular electron-transfer process (30-70 s-1 at 298 K) concomitant with a further reduction of the Cu(II) ion. The temperature dependence of the latter rates was determined...... and used to derive information on the possible effects of the mutations. The substitution of residue Phe114, situated on the opposite side of Cu relative to the disulfide, by Ala resulted in a rate increase by a factor of almost 2. By assuming that this effect is only due to an increase in driving force......Single-site mutants of the blue, single-copper protein, azurin, from Pseudomonas aeruginosa were reduced by CO2- radicals in pulse radiolysis experiments. The single disulfide group was reduced directly by CO2- with rates similar to those of the native protein [Farver, O., & Pecht, I. (1989) Proc...

  5. Intramolecular electron transfer in Pseudomonas aeruginosa cd(1) nitrite reductase

    DEFF Research Database (Denmark)

    Farver, Ole; Brunori, Maurizio; Cutruzzolà, Francesca

    2009-01-01

    The cd(1) nitrite reductases, which catalyze the reduction of nitrite to nitric oxide, are homodimers of 60 kDa subunits, each containing one heme-c and one heme-d(1). Heme-c is the electron entry site, whereas heme-d(1) constitutes the catalytic center. The 3D structure of Pseudomonas aeruginosa...... nitrite reductase has been determined in both fully oxidized and reduced states. Intramolecular electron transfer (ET), between c and d(1) hemes is an essential step in the catalytic cycle. In earlier studies of the Pseudomonas stutzeri enzyme, we observed that a marked negative cooperativity...... is controlling this internal ET step. In this study we have investigated the internal ET in the wild-type and His369Ala mutant of P. aeruginosa nitrite reductases and have observed similar cooperativity to that of the Pseudomonas stutzeri enzyme. Heme-c was initially reduced, in an essentially diffusion...

  6. Conservative Management of Twisted Ischemic Adnexa in Early ...

    African Journals Online (AJOL)

    She underwent emergency surgery with a provisional diagnosis of torsion of left adnexa. Mini‑laparotomy, detorsion of the twisted adnexa and ovarian cystectomy with reconstruction was performed thus conserving the tube and ovary. The pregnancy progressed normally; follow‑up ultrasound scans showed normal ...

  7. The Hardy inequality and the heat equation in twisted tubes

    Czech Academy of Sciences Publication Activity Database

    Krejčiřík, David; Zuazua, E.

    2010-01-01

    Roč. 94, č. 3 (2010), s. 277-303 ISSN 0021-7824 R&D Projects: GA MŠk LC06002 Institutional research plan: CEZ:AV0Z10480505 Keywords : Twisted tubes * Hardy inequality * Dirichlet Laplacian Subject RIV: BA - General Mathematics Impact factor: 1.450, year: 2010

  8. Twisted equivariant K-theory, groupoids and proper actions

    OpenAIRE

    Cantarero, Jose

    2009-01-01

    In this paper we define twisted equivariant K-theory for actions of Lie groupoids. For a Bredon-compatible Lie groupoid, this defines a periodic cohomology theory on the category of finite CW-complexes with equivariant stable projective bundles. A classification of these bundles is shown. We also obtain a completion theorem and apply these results to proper actions of groups.

  9. Twisted topological solitons and dislocations in a polymer crystal

    DEFF Research Database (Denmark)

    Savin, A. V.; Khalack, J. M.; Christiansen, Peter Leth

    2002-01-01

    of adjacent molecular chains in the polymer crystal). It is shown that some of these defects called "twisted topological solitons" can propagate with a stationary profile and velocity. To describe the dynamics of these solitons, a model that accounts for the three components of the molecular displacements...

  10. A Hardy inequality in a twisted Dirichlet-Neumann waveguide

    Czech Academy of Sciences Publication Activity Database

    Kovařík, Hynek; Krejčiřík, David

    2008-01-01

    Roč. 281, č. 8 (2008), s. 1159-1168 ISSN 0025-584X R&D Projects: GA MŠk LC06002 Institutional research plan: CEZ:AV0Z10480505 Keywords : Laplacian * Dirichlet and Neumann boundary conditions * twist Subject RIV: BE - Theoretical Physics Impact factor: 0.537, year: 2008

  11. Spectral estimates for Dirichlet Laplacians on perturbed twisted tubes

    Czech Academy of Sciences Publication Activity Database

    Exner, Pavel; Barseghyan, Diana

    2014-01-01

    Roč. 8, č. 1 (2014), s. 167-183 ISSN 1846-3886 R&D Projects: GA ČR GAP203/11/0701 Institutional support: RVO:61389005 Keywords : Drichlet Laplacian * twisted tube * discrete spectrum * eigenvalue estimates Subject RIV: BE - Theoretical Physics Impact factor: 0.583, year: 2014

  12. Twisted mass lattice QCD with non-degenerate quark masses

    International Nuclear Information System (INIS)

    Muenster, Gernot; Sudmann, Tobias

    2006-01-01

    Quantum Chromodynamics on a lattice with Wilson fermions and a chirally twisted mass term is considered in the framework of chiral perturbation theory. For two and three numbers of quark flavours, respectively, with non-degenerate quark masses the pseudoscalar meson masses and decay constants are calculated in next-to-leading order including lattice effects quadratic in the lattice spacing a

  13. Would You Rather (WYR), with a Sexual Health Twist!

    Science.gov (United States)

    Rosen, Brittany; McNeill, Elisa Beth; Wilson, Kelly

    2014-01-01

    Would You Rather (WYR), with a Sexual Health Twist! teaching technique uses two youth games, "Would you rather…" and Twister®, to actively engage students in developing decision-making skills regarding human sexuality. Utilizing the "Would you rather" choices, the teacher provides a short scenario with two difficult choices.…

  14. Coherent nonlinear electromagnetic response in twisted bilayer and ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 83; Issue 4. Coherent nonlinear electromagnetic response in twisted bilayer and few-layer graphene ... These oscillations in the population and polarization at the Dirac point in -layer graphene are seen in the nth harmonic termin the external driving frequency.

  15. Fermionic construction of vertex operators for twisted affine algebras

    International Nuclear Information System (INIS)

    Frappat, L.; Sorba, P.; Sciarrino, A.

    1988-03-01

    We construct vertex operator representations of the twisted affine algebras in terms of fermionic (or parafermionic in some cases) elementary fields. The folding method applied to the extended Dynkin diagrams of the affine algebras allows us to determine explicitly these fermionic fields as vertex operators

  16. Twist of Magnetic Fields in Solar Active Regions Hongqi Zhang ...

    Indian Academy of Sciences (India)

    tribpo

    twisted field (current helicity) in the photosphere (Seehafer 1990; Pevtsov et al. 1995;. Bao & Zhang 1998). Bao & Zhang (1998) and Zhang & Bao (1999) computed the photospheric current helicity parameter h|| for 422 active regions, including most of the large ones observed in the period of 1988 1997 at Huairou Solar ...

  17. Emergence of Twisted Magnetic Flux Related Sigmoidal Brightening ...

    Indian Academy of Sciences (India)

    tribpo

    netic field, which subsequently appear as active regions in the photosphere (Rust &. Kumar 1994 and the references therein). Successive emergence of magnetic flux, twist the field, creating flare productive magnetic shear and has been studied by many authors (Sundara Raman et al. 1998 and the references therein).

  18. Stability of coupled tearing and twisting modes in tokamaks

    International Nuclear Information System (INIS)

    Fitzpatrick, R.

    1994-03-01

    A dispersion relation is derived for resistive modes of arbitrary parity in a tokamak plasma. At low mode amplitude, tearing and twisting modes which have nonideal MHD behavior at only one rational surface at a time in the plasma are decoupled via sheared rotation and diamagnetic flows. At higher amplitude, more unstable open-quote compound close-quote modes develop which have nonideal behavior simultaneously at many surfaces. Such modes possess tearing parity layers at some of the nonideal surfaces, and twisting parity layers at others, but mixed parity layers are generally disallowed. At low mode number, open-quote compound close-quote modes are likely to have tearing parity layers at all of the nonideal surfaces in a very low-β plasma, but twisting parity layers become more probable as the plasma β is increased. At high mode number, unstable twisting modes which exceed a critical amplitude drive conventional magnetic island chains on alternate rational surfaces, to form an interlocking structure in which the O-points and X-points of neighboring chains line up

  19. Performance Study of a Cylindrical Parabolic Concentrating Solar Water Heater with Nail Type Twisted Tape Inserts in the Copper Absorber Tube

    Directory of Open Access Journals (Sweden)

    Amit K. Bhakta

    2018-01-01

    Full Text Available This paper reports the overall thermal performance of a cylindrical parabolic concentrating solar water heater (CPCSWH with inserting nail type twisted tape (NTT in the copper absorber tube for the nail twist pitch ratios, 4.787, 6.914 and 9.042, respectively. The experiments are conducted for a constant volumetric water flow rate and during the time period 9:00 a.m. to 15:00 p.m. The useful heat gain, hourly solar energy collected and hourly solar energy stored in this solar water heater were found to be higher for the nail twist pitch ratio 4.787. The above said parameters were found to be at a peak at noon and observed to follow the path of variation of solar intensity. At the start of the experiment, the value of charging efficiency was observed to be maximum, whereas the maximum values of instantaneous efficiency and overall thermal efficiency were observed at noon. The key finding is that the nail twist pitch ratio enhances the overall thermal performance of the CPCSWH.

  20. Intermittent energy bursts and recurrent topological change of a twisting magnetic flux tube

    International Nuclear Information System (INIS)

    Amo, Hiroyoshi; Sato, Tetsuya; Kageyama, Akira.

    1994-09-01

    When continuously twisted, a magnetic flux tube suffers a large kink distortion in the middle part of the tube, like a knot-of-tension instability of a bundle of twisted rubber strings, and reconnection is triggered starting with the twisted field lines and quickly proceeding to the untwisted field lines at the twist-untwist boundary, whereby a giant burst-like energy release takes place. Subsequently, bursts occur intermittently and reconnection advances deeper into the untwisted region. Then, a companion pair of the linked twist-untwist flux tubes reconnect with each other to return to the original axisymmetric tube. The process is thus repeatable. (author)

  1. Charge preamplifier

    International Nuclear Information System (INIS)

    Chaminade, R.; Passerieux, J.P.

    1961-01-01

    We describe a charge preamplifier having the following properties: - large open loop gain giving both stable gain and large input charge transfer; - stable input grid current with aging and without any adjustment; - fairly fast rise; - nearly optimum noise performance; - industrial material. (authors)

  2. Charging machine

    International Nuclear Information System (INIS)

    Medlin, J.B.

    1976-01-01

    A charging machine for loading fuel slugs into the process tubes of a nuclear reactor includes a tubular housing connected to the process tube, a charging trough connected to the other end of the tubular housing, a device for loading the charging trough with a group of fuel slugs, means for equalizing the coolant pressure in the charging trough with the pressure in the process tubes, means for pushing the group of fuel slugs into the process tube and a latch and a seal engaging the last object in the group of fuel slugs to prevent the fuel slugs from being ejected from the process tube when the pusher is removed and to prevent pressure liquid from entering the charging machine. 3 claims, 11 drawing figures

  3. Unique CCT repeats mediate transcription of the TWIST1 gene in mesenchymal cell lines

    International Nuclear Information System (INIS)

    Ohkuma, Mizue; Funato, Noriko; Higashihori, Norihisa; Murakami, Masanori; Ohyama, Kimie; Nakamura, Masataka

    2007-01-01

    TWIST1, a basic helix-loop-helix transcription factor, plays critical roles in embryo development, cancer metastasis and mesenchymal progenitor differentiation. Little is known about transcriptional regulation of TWIST1 expression. Here we identified DNA sequences responsible for TWIST1 expression in mesenchymal lineage cell lines. Reporter assays with TWIST1 promoter mutants defined the -102 to -74 sequences that are essential for TWIST1 expression in human and mouse mesenchymal cell lines. Tandem repeats of CCT, but not putative CREB and NF-κB sites in the sequences substantially supported activity of the TWIST1 promoter. Electrophoretic mobility shift assay demonstrated that the DNA sequences with the CCT repeats formed complexes with nuclear factors, containing, at least, Sp1 and Sp3. These results suggest critical implication of the CCT repeats in association with Sp1 and Sp3 factors in sustaining expression of the TWIST1 gene in mesenchymal cells

  4. CHARGE syndrome

    Directory of Open Access Journals (Sweden)

    Prasad Chitra

    2006-09-01

    Full Text Available Abstract CHARGE syndrome was initially defined as a non-random association of anomalies (Coloboma, Heart defect, Atresia choanae, Retarded growth and development, Genital hypoplasia, Ear anomalies/deafness. In 1998, an expert group defined the major (the classical 4C's: Choanal atresia, Coloboma, Characteristic ears and Cranial nerve anomalies and minor criteria of CHARGE syndrome. Individuals with all four major characteristics or three major and three minor characteristics are highly likely to have CHARGE syndrome. However, there have been individuals genetically identified with CHARGE syndrome without the classical choanal atresia and coloboma. The reported incidence of CHARGE syndrome ranges from 0.1–1.2/10,000 and depends on professional recognition. Coloboma mainly affects the retina. Major and minor congenital heart defects (the commonest cyanotic heart defect is tetralogy of Fallot occur in 75–80% of patients. Choanal atresia may be membranous or bony; bilateral or unilateral. Mental retardation is variable with intelligence quotients (IQ ranging from normal to profound retardation. Under-development of the external genitalia is a common finding in males but it is less apparent in females. Ear abnormalities include a classical finding of unusually shaped ears and hearing loss (conductive and/or nerve deafness that ranges from mild to severe deafness. Multiple cranial nerve dysfunctions are common. A behavioral phenotype for CHARGE syndrome is emerging. Mutations in the CHD7 gene (member of the chromodomain helicase DNA protein family are detected in over 75% of patients with CHARGE syndrome. Children with CHARGE syndrome require intensive medical management as well as numerous surgical interventions. They also need multidisciplinary follow up. Some of the hidden issues of CHARGE syndrome are often forgotten, one being the feeding adaptation of these children, which needs an early aggressive approach from a feeding team. As the child

  5. Detection of a transient intramolecular hydrogen bond using 1JNH scalar couplings

    Science.gov (United States)

    Xiang, ShengQi; Zweckstetter, Markus

    2014-06-01

    Hydrogen bonds are essential for the structure, stability and folding of proteins. The identification of intramolecular hydrogen bonds, however, is challenging, in particular in transiently folded states. Here we studied the presence of intramolecular hydrogen bonds in the folding nucleus of the coiled-coil structure of the GCN4 leucine zipper. Using one-bond 1JNH spin-spin coupling constants and hydrogen/deuterium exchange, we demonstrate that a transient intramolecular hydrogen bond is present in the partially helical folding nucleus of GCN(16-31). The data demonstrate that 1JNH couplings are a sensitive tool for the detection of transient intramolecular hydrogen bonds in challenging systems where the effective/useable protein concentration is low. This includes peptides at natural abundance but also uniformly labeled biomolecules that are limited to low concentrations because of precipitation or aggregation.

  6. Enantioselective synthesis of almorexant via iridium-catalysed intramolecular allylic amidation

    NARCIS (Netherlands)

    Fananas Mastral, Martin; Teichert, Johannes F.; Fernandez-Salas, Jose Antonio; Heijnen, Dorus; Feringa, Ben L.

    2013-01-01

    An enantioselective synthesis of almorexant, a potent antagonist of human orexin receptors, is presented. The chiral tetrahydroisoquinoline core structure was prepared via iridium-catalysed asymmetric intramolecular allylic amidation. Further key catalytic steps of the synthesis include an oxidative

  7. Noether analysis of the twisted Hopf symmetries of canonical noncommutative spacetimes

    International Nuclear Information System (INIS)

    Amelino-Camelia, Giovanni; Gubitosi, Giulia; Marciano, Antonino; Martinetti, Pierre; Mercati, Flavio; Briscese, Fabio

    2008-01-01

    We study the twisted Hopf-algebra symmetries of observer-independent canonical spacetime noncommutativity, for which the commutators of the spacetime coordinates take the form [x^ μ ,x^ ν ]=iθ μν with observer-independent (and coordinate-independent) θ μν . We find that it is necessary to introduce nontrivial commutators between transformation parameters and spacetime coordinates, and that the form of these commutators implies that all symmetry transformations must include a translation component. We show that with our noncommutative transformation parameters the Noether analysis of the symmetries is straightforward, and we compare our canonical-noncommutativity results with the structure of the conserved charges and the ''no-pure-boost'' requirement derived in a previous study of κ-Minkowski noncommutativity. We also verify that, while at intermediate stages of the analysis we do find terms that depend on the ordering convention adopted in setting up the Weyl map, the final result for the conserved charges is reassuringly independent of the choice of Weyl map and (the corresponding choice of) star product.

  8. The dipole representation of vector meson electroproduction beyond leading twist

    International Nuclear Information System (INIS)

    Besse, A.; Szymanowski, L.; Wallon, S.

    2013-01-01

    We link the recent computation beyond leading twist of the impact factor of the transition γ T ⁎ →ρ T performed in the light-cone collinear approach, to the dipole picture by expressing the hard part of the process through its Fourier transform in coordinate space. We show that in the Wandzura–Wilczek approximation the impact factor up to twist 3 factorises in the wave function of the photon combined with the distribution amplitudes of the ρ-meson and the colour dipole scattering amplitude with the t-channel gluons. We show also that beyond the Wandzura–Wilczek approximation, the hard contribution of the amplitude still exhibits the signature of the interaction of a single colour dipole with the t-channel gluons. This result allows a phenomenological approach of the helicity amplitudes of the leptoproduction of vector meson, by combining our results to a dipole/target scattering amplitude model.

  9. BK-parameter from Nf=2 twisted mass lattice QCD

    International Nuclear Information System (INIS)

    Constantinou, M.; Dimopoulos, P.; Frezzotti, R.; INFN, Rome

    2011-01-01

    We present an unquenched N f = 2 lattice computation of the B K parameter which controls K 0 - anti K 0 oscillations. A partially quenched setup is employed with two maximally twisted dynamical (sea) light Wilson quarks, and valence quarks of both the maximally twisted and the Osterwalder-Seiler variety. Suitable combinations of these two kinds of valence quarks lead to a lattice definition of the B K parameter which is both multiplicatively renormalizable and O(a) improved. Employing the non-perturbative RI-MOM scheme, in the continuum limit and at the physical value of the pion mass we get B RGI K =0.729±0.030, a number well in line with the existing quenched and unquenched determinations. (orig.)

  10. Helicity conservation and twisted Seifert surfaces for superfluid vortices.

    Science.gov (United States)

    Salman, Hayder

    2017-04-01

    Starting from the continuum definition of helicity, we derive from first principles its different contributions for superfluid vortices. Our analysis shows that an internal twist contribution emerges naturally from the mathematical derivation. This reveals that the spanwise vector that is used to characterize the twist contribution must point in the direction of a surface of constant velocity potential. An immediate consequence of the Seifert framing is that the continuum definition of helicity for a superfluid is trivially zero at all times. It follows that the Gauss-linking number is a more appropriate definition of helicity for superfluids. Despite this, we explain how a quasi-classical limit can arise in a superfluid in which the continuum definition for helicity can be used. This provides a clear connection between a microscopic and a macroscopic description of a superfluid as provided by the Hall-Vinen-Bekarevich-Khalatnikov equations. This leads to consistency with the definition of helicity used for classical vortices.

  11. Sweep-twist adaptive rotor blade : final project report.

    Energy Technology Data Exchange (ETDEWEB)

    Ashwill, Thomas D.

    2010-02-01

    Knight & Carver was contracted by Sandia National Laboratories to develop a Sweep Twist Adaptive Rotor (STAR) blade that reduced operating loads, thereby allowing a larger, more productive rotor. The blade design used outer blade sweep to create twist coupling without angled fiber. Knight & Carver successfully designed, fabricated, tested and evaluated STAR prototype blades. Through laboratory and field tests, Knight & Carver showed the STAR blade met the engineering design criteria and economic goals for the program. A STAR prototype was successfully tested in Tehachapi during 2008 and a large data set was collected to support engineering and commercial development of the technology. This report documents the methodology used to develop the STAR blade design and reviews the approach used for laboratory and field testing. The effort demonstrated that STAR technology can provide significantly greater energy capture without higher operating loads on the turbine.

  12. Spin squeezing in a generalized one-axis twisting model

    Science.gov (United States)

    Jin, Guang-Ri; Liu, Yong-Chun; Liu, Wu-Ming

    2009-07-01

    We investigate the dependence of spin squeezing on the polar angle of the initial coherent spin state |θ0, phi0rang in a generalized one-axis twisting model, where the detuning δ is taken into account. We show explicitly that regardless of δ and phi0, previous results of the ideal one-axis twisting are recovered as long as θ0=π/2. For a small departure of θ0 from π/2, however, the achievable variance (V -)min ~N2/3, which is larger than the ideal case N1/3. We also find that the maximal squeezing time tmin scales as N-5/6. Analytic expressions of (V-)min and tmin are presented and they agree with numerical simulations.

  13. A generalized network representation of twist-reflectors

    International Nuclear Information System (INIS)

    Rebuffi, L.

    1986-06-01

    A general network representation of different kinds of Twist-Reflector (T.R.) is presented. By mean of a TM- and TE-type modal representation of the fields, using a double equivalent circuit it is possible to describe a strip, parallel plate or corrugated surface T.R. Modal reflection coefficients GAMMA' and GAMMA'' are derived starting from Marcuvitz formulations [1 ] and adapting them to different tested mirrors. Theoretic-empirical circuit parameters are thus deduced to satisfy the two basic conditions for an optimal design. The strip and the plate thickness is considered to be finite, thus reducing the degree of approximation. Using this model, predicted theoretical values for the reflector efficiency are in close agreement with experimental results, thus permitting a correct design of different kinds of Twist-Reflector

  14. Electric currents induced by twisted light in Quantum Rings.

    Science.gov (United States)

    Quinteiro, G F; Berakdar, J

    2009-10-26

    We theoretically investigate the generation of electric currents in quantum rings resulting from the optical excitation with twisted light. Our model describes the kinetics of electrons in a two-band model of a semiconductor-based mesoscopic quantum ring coupled to light having orbital angular momentum (twisted light). We find the analytical solution, which exhibits a "circular" photon-drag effect and an induced magnetization, suggesting that this system is the circular analog of that of a bulk semiconductor excited by plane waves. For realistic values of the electric field and material parameters, the computed electric current can be as large as microA; from an applied perspective, this opens new possibilities to the optical control of the magnetization in semiconductors.

  15. Orienting Asymmetric Molecules by Laser Fields with Twisted Polarization

    Science.gov (United States)

    Gershnabel, E.; Averbukh, I. Sh.

    2018-02-01

    We study interaction of generic asymmetric molecules with laser fields having twisted polarization, using a pair of strong time-delayed short laser pulses with crossed linear polarizations as an example. We show that such an excitation not only provides unidirectional rotation of the most polarizable molecular axis, but also induces a directed torque along this axis, which results in a transient orientation of the molecules. The asymmetric molecules are chiral in nature and different molecular enantiomers experience the orienting action in opposite directions causing out-of-phase oscillations of their dipole moments. The resulting microwave radiation was recently suggested to be used for analysis or discrimination of chiral molecular mixtures. We reveal the mechanism behind this laser-induced orientation effect, show that it is classical in nature, and envision further applications of light with twisted polarization.

  16. A torsional artificial muscle from twisted nitinol microwire

    Science.gov (United States)

    Mirvakili, Seyed M.; Hunter, Ian W.

    2017-04-01

    Nitinol microwires of 25 μm in diameter can have tensile actuation of up to 4.5% in less than 100 ms. A work density of up to 480 MPa can be achieved from these microwires. In the present work, we are showing that by twisting the microwires in form of closed-loop two-ply yarn we can create a torsional actuator. We achieved a revisable torsional stroke of 46°/mm with peak rotational speed of up to 10,000 rpm. We measured a gravimetric torque of up to 28.5 N•m/kg which is higher than the 3 - 6 N•m/kg for direct-drive commercial electric motors. These remarkable performance results are comparable to those of guest-infiltrated carbon nanotube twisted yarns.

  17. New twists to QCD at large-N

    International Nuclear Information System (INIS)

    Klinkhamer, F.R.

    1984-01-01

    The recently discovered reduced models of Quantum Chromodynamics in the limit of a large number (N) of colors are discussed, in particular the version that employs appropriate Z(N) twists. Some preliminary numerical data are presented, together with some new analytic results (saddle-points). This may be of some help for understanding the mechanism of confinement, which presumably is the same for all N. Also, the reduced chiral model in two dimensions is discussed

  18. Internal twist drill coolant channel modelling using computational fluid dynamics

    OpenAIRE

    Johns, AS; Hewson, RW; Merson, E; Summers, JL; Thompson, HM

    2014-01-01

    Coolant technologies have become increasingly used within twist-drill machining. Internal helical coolant channels are a common means of delivering high-pressure coolant directly to the cutting edge to increase the transfer of heat away from the cutting edge and to aid with chip evacuation. However, the complex behaviour of Coriolis and centrifugal forces generated by large angular velocities and the curvature of the coiled channel govern the highly turbulent flow of coolant. This research us...

  19. Dynamics of intramolecular spin exchange interaction of a nitronyl nitroxide diradical in solution and on surfaces

    OpenAIRE

    Lloveras Montserrat, Vega; Badetti, Elena; Veciana Miró, Jaume; Vidal-Gancedo, José

    2016-01-01

    In this paper we report the study of the dynamics of a thermally modulated intramolecular spin exchange interaction of a novel diradical nitronyl nitroxide-substituted disulfide in solution and when it is grafted on a gold surface. The structure of this diradical was designed to have flexible chains leading to intramolecular collisions and hence spin exchange interaction, and with an appropriate binding group to be grafted on the gold surface to study its behavior on the surface. In solution,...

  20. Intramolecular distribution of carbon isotopes in fatty acids

    International Nuclear Information System (INIS)

    von Unruh, G.E.; Hayes, J.M.

    1975-01-01

    It is well known that biochemical reactions fractionate the stable isotopes of carbon, distributing them unevenly among their products. For amino acids and biosynthesized acetate, it has been shown that the isotopes are fractionated on an intramolecular basis, with some carbon positions being enriched in 13 C relative to others. With the goal of eventually determining the extent to which the isotopic distribution pattern in acetate is carried over into alkyl chains, we are working to develop methods for determining isotopic distributions within fatty acids. Because there are no purely instrumental approaches with sufficient precision to allow isotopic measurements on the intact fatty acid, chemical degradation must be applied in order to prepare CO 2 from each position of interest. Kinetic isotope effects during the chemical reactions and vapor pressure isotope effects during sample preparation and handling can significantly affect the results, and must be very carefully controlled and investigated. Thus far, suitable methods have been developed for determination of the isotopic composition of the carboxyl carbon in fatty acids. The isotopic composition of the aliphatic portion of the molecule can then be determined by the difference after the overall 13 C content has been determined by combustion

  1. Intramolecular Crosstalk between Catalytic Activities of Receptor Kinases

    KAUST Repository

    Kwezi, Lusisizwe

    2018-01-22

    Signal modulation is important for the growth and development of plants and this process is mediated by a number of factors including physiological growth regulators and their associated signal transduction pathways. Protein kinases play a central role in signaling, including those involving pathogen response mechanisms. We previously demonstrated an active guanylate cyclase (GC) catalytic center in the brassinosteroid insensitive receptor (AtBRI1) within an active intracellular kinase domain resulting in dual enzymatic activity. Here we propose a novel type of receptor architecture that is characterized by a functional GC catalytic center nested in the cytosolic kinase domain enabling intramolecular crosstalk. This may be through a cGMP-AtBRI1 complex forming that may induce a negative feedback mechanism leading to desensitisation of the receptor, regulated through the cGMP production pathway. We further argue that the comparatively low but highly localized cGMP generated by the GC in response to a ligand is sufficient to modulate the kinase activity. This type of receptor therefore provides a molecular switch that directly and/or indirectly affects ligand dependent phosphorylation of downstream signaling cascades and suggests that subsequent signal transduction and modulation works in conjunction with the kinase in downstream signaling.

  2. Comparison of different lattice definitions of the topological charge

    International Nuclear Information System (INIS)

    Cichy, Krzysztof; Ottnad, Konstantin; Bonn Univ.; Bonn Univ.; Urbach, Carsten; Zimmermann, Falk; Bonn Univ.; Wenger, Urs

    2014-11-01

    We present a comparison of different definitions of the topological charge on the lattice, using a small-volume ensemble with 2 flavours of dynamical twisted mass fermions. The investigated definitions are: index of the overlap Dirac operator, spectral projectors, spectral flow of the Hermitian Wilson-Dirac operator and field theoretic with different kinds of smoothing of gauge fields (HYP and APE smearings, gradient flow, cooling). We also show some results on the topological susceptibility.

  3. Report on twisted nematic and supertwisted nematic device characterization program

    Science.gov (United States)

    1995-01-01

    In this study we measured the optical characteristics of normally white twisted nematic (NWTN) and super twisted nematic (STN ) cells. Though no dynamic computer model was available, the static observations were compared with computer simulated behavior. The measurements were taken as a function of both viewing angle and applied voltage and included in the static case not only luminance but also contrast ratio and chromaticity . We employed the computer model Twist Cell Optics, developed at Kent State in conjunction with this study, and whose optical modeling foundation, Iike the ViDEOS program, is the 4 x 4 matrix method of Berreman. In order to resolve discrepancies between the experimental and modeled data the optical parameters of the individual cell components, where not known, were determined using refractometry, profilometry, and various forms of ellipsometry. The resulting agreement between experiment and model is quite good due primarily to a better understanding of the structure and optics of dichroic sheet polarizers. A description of the model and test cells employed are given in section 2. Section 3 contains the experimental data gathered and section 4 gives examples of the fit between model and experiment. Also included with this report are a pair of papers which resulted from the research and which detail the polarizer properties and some of the cell characterization methods.

  4. Twisted Bilayer Graphene. Interlayer configuration and magnetotransport signatures

    Energy Technology Data Exchange (ETDEWEB)

    Rode, Johannes C.; Smirnov, Dmitri; Belke, Christopher; Schmidt, Hennrik; Haug, Rolf J. [Institut fuer Festkoerperphysik, Hannover (Germany)

    2017-11-15

    Twisted Bilayer Graphene may be viewed as very first representative of the now booming class of artificially layered 2D materials. Consisting of two sheets from the same structure and atomic composition, its decisive degree of freedom lies in the rotation between crystallographic axes in the individual graphene monolayers. Geometrical consideration finds angle-dependent Moire patterns as well as commensurate superlattices of opposite sublattice exchange symmetry. Beyond the approach of rigidly interposed lattices, this review takes focus on the evolving topic of lattice corrugation and distortion in response to spatially varying lattice registry. The experimental approach to twisted bilayers requires a basic control over preparation techniques; important methods are summarized and extended on in the case of bilayers folded from monolayer graphene via AFM nanomachining. Central morphological parameters to the twisted bilayer, rotational mismatch and interlayer separation are studied in a broader base of samples. Finally, experimental evidence for a number of theoretically predicted, controversial electronic scenarios are reviewed; magnetotransport signatures are discussed in terms of Fermi velocity, van Hove singularities and Berry phase and assessed with respect to the underlying experimental conditions, thereby referring back to the initially considered variations in relaxed lattice structure. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Microwave modulation characteristics of twisted liquid crystals with chiral dopant

    Directory of Open Access Journals (Sweden)

    Rui Yuan

    2017-01-01

    Full Text Available Adding a chiral dopant in twisted nematic (TN liquid crystal cell can stabilize the orientation of liquid crystal molecules, particularly in high TN (HTN or super TN (STN liquid crystal cells. The difference in pitches in liquid crystal is induced by the chiral dopant, and these different pitches affect the orientation of liquid crystal director under an external applied voltage and influence the characteristics of microwave modulation. To illustrate this point, the microwave phase shift per unit length (MPSL versus voltage is calculated on the basis of the elastic theory of liquid crystal and the finite-difference iterative method. Enhancing the pitch induced by the chiral dopant in liquid crystal increases the MPSLs, but the stability of the twisted structures is decreased. Thus, appropriate pitches of 100d, 4d, and 2d can be applied in TN, HTN, and STN cells with cell gap d to enhance the characteristics of microwave modulation and stabilize the structures in twisted cell. This method can improve the characteristics of liquid crystal microwave modulators such that the operating voltage and the size of such phase shifters can be decreased.

  6. Management Options for Twisted Gastric Tube after Laparoscopic Sleeve Gastrectomy.

    Science.gov (United States)

    Abd Ellatif, Mohamed E; Abbas, Ashraf; El Nakeeb, Ayman; Magdy, Alaa; Salama, Asaad F; Bashah, Moataz M; Dawoud, Ibrahim; Gamal, Maged Ali; Sargsyan, Davit

    2017-09-01

    This study aims to determine the incidence, etiology, and management options for symptomatic gastric obstruction caused by axially twisted sleeve gastrectomy. In this retrospective study, we reviewed medical charts of all morbidly obese patients who underwent laparoscopic sleeve gastrectomy. Patients who developed gastric obstruction symptoms and were diagnosed with twisted sleeve gastrectomy were identified and included in this study. From October 2005 to December 2015, there are 3634 morbidly obese patients who underwent laparoscopic sleeve gastrectomy (LSG). Eighty-six (2.3%) patients developed symptoms of gastric obstruction. Forty-five (1.23%) patients were included in this study. The mean time of presentation was 59.8 days after surgery. Upper GI contrast study was done routinely, and it was positive for axial twist in 37 (82%) patients. Abdominal CT with oral and IV contrast was done in eight (18%) when swallow study was equivocal. Endoscopic treatment was successful in 43 patients (95.5%). Sixteen patients were successfully managed by endoscopic stenting, and 29 patients had balloon dilation. The average numbers of dilation sessions were 1.7. Out of these 29 patients, 18 responded well to a single session of dilatation and did not require any further dilatation sessions. Two patients who failed to respond to three subsequent sessions of balloon dilation underwent laparoscopic adhesiolysis and gastropexy. Endoscopic stenting is an effective tool in management of axial rotation of sleeved stomach. Balloon dilation can also be effective in selected cases. Few cases might require laparoscopic adhesiolysis and gastropexy.

  7. Crystal Engineering of Hand-Twisted Helical Crystals.

    Science.gov (United States)

    Saha, Subhankar; Desiraju, Gautam R

    2017-02-08

    A strategy is outlined for the design of hand-twisted helical crystals. The starting point in the exercise is the one-dimensional (1D) plastic crystal, 1,4-dibromobenzene, which is then changed to a 1D elastic crystal, exemplified by 4-bromophenyl 4'-chlorobenzoate, by introduction of a molecular synthon -O-CO- in lieu of the supramolecular synthon Br···Br in the precursor. The 1D elastic crystals are next modified to two-dimensional (2D) elastic crystals, of the type 4-bromophenyl 4'-nitrobenzoate where the halogen bonding and C-H···O hydrogen bonding are well-matched. Finally, varying the interaction strengths in these 2D elastic crystals gives plastic crystals with two pairs of bendable faces but without slip planes. Typical examples are 4-chlorophenyl and 4-bromophenyl 4'-nitrobenzoate. This type of 2D plasticity represents a new type of bendable crystals in which plastic behavior is seen with a fair degree of isotropic character in the crystal packing. The presence of two sets of bendable faces, generally orthogonal to each other, allows for the possibility of hand-twisting of the crystals to give grossly helical morphologies. Accordingly, we propose the name hand-twisted helical crystals for these substances.

  8. The $SU(\\infty)$ twisted gradient flow running coupling

    CERN Document Server

    Pérez, Margarita García; Keegan, Liam; Okawa, Masanori

    2015-01-01

    We measure the running of the $SU(\\infty)$ 't Hooft coupling by performing a step scaling analysis of the Twisted Eguchi-Kawai (TEK) model, the SU($N$) gauge theory on a single site lattice with twisted boundary conditions. The computation relies on the conjecture that finite volume effects for SU(N) gauge theories defined on a 4-dimensional twisted torus are controlled by an effective size parameter $\\tilde l = l \\sqrt{N}$, with $l$ the torus period. We set the scale for the running coupling in terms of $\\tilde l$ and use the gradient flow to define a renormalized 't Hooft coupling $\\lambda(\\tilde l)$. In the TEK model, this idea allows the determination of the running of the coupling through a step scaling procedure that uses the rank of the group as a size parameter. The continuum renormalized coupling constant is extracted in the zero lattice spacing limit, which in the TEK model corresponds to the large $N$ limit taken at fixed value of $\\lambda(\\tilde l)$. The coupling constant is thus expected to coinc...

  9. Role of left ventricular twist mechanics in cardiomyopathies, dance of the helices.

    Science.gov (United States)

    Kauer, Floris; Geleijnse, Marcel Leonard; van Dalen, Bastiaan Martijn

    2015-08-26

    Left ventricular twist is an essential part of left ventricular function. Nevertheless, knowledge is limited in "the cardiology community" as it comes to twist mechanics. Fortunately the development of speckle tracking echocardiography, allowing accurate, reproducible and rapid bedside assessment of left ventricular twist, has boosted the interest in this important mechanical aspect of left ventricular deformation. Although the fundamental physiological role of left ventricular twist is undisputable, the clinical relevance of assessment of left ventricular twist in cardiomyopathies still needs to be established. The fact remains; analysis of left ventricular twist mechanics has already provided substantial pathophysiological understanding on a comprehensive variety of cardiomyopathies. It has become clear that increased left ventricular twist in for example hypertrophic cardiomyopathy may be an early sign of subendocardial (microvascular) dysfunction. Furthermore, decreased left ventricular twist may be caused by left ventricular dilatation or an extensive myocardial scar. Finally, the detection of left ventricular rigid body rotation in noncompaction cardiomyopathy may provide an indispensible method to objectively confirm this difficult diagnosis. All this endorses the value of left ventricular twist in the field of cardiomyopathies and may further encourage the implementation of left ventricular twist parameters in the "diagnostic toolbox" for cardiomyopathies.

  10. Flexible Faraday Cage with a Twist: Surface Charge on a Mobius Strip

    Science.gov (United States)

    Stewart, Sean

    2007-01-01

    Once an intriguing topological novelty known only to mathematicians, the Mobius strip has become a source of fascination and inspiration to the layperson and artist alike. Principal among its features are the two strange properties that the Mobius strip is a surface with only one side and one edge. A Mobius strip is readily formed by taking a long…

  11. Exclusive processes beyond leading twist: {gamma}*T {yields} {rho}T impact factor with twist three accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Szymanowski, Lech [Soltan Institute for Nuclear Studies, Hoza 69, 00691, Warsaw (Poland); Anikin, Igor V. [Joint Institute for Nuclear Research - JINR, Joliot-Curie st., 6, Moskovskaya obl., 141980, Dubna (Russian Federation); Ivanov, Dmitry Yu [Sobolev Institute of Mathematics, Acad. Koptyug pr., 4, 630090 Novosibirsk (Russian Federation); Pire, Bernard [Centre de Physique Theorique - CPHT, UMR 7644, Ecole Polytechnique, Bat. 6, RDC, F91128 Palaiseau Cedex (France); Wallon, Samuel [Laboratoire de Physique Theorique d' Orsay - LPT, Bat. 210, Univ. Paris-Sud 11, 91405 Orsay Cedex (France)

    2010-07-01

    We describe a consistent approach to factorization of scattering amplitudes for exclusive processes beyond the leading twist approximation. The method is based on the Taylor expansion of the scattering amplitude in the momentum space around the dominant light-cone direction and thus naturally introduces an appropriate set of non-perturbative correlators which encode effects not only of the lowest but also of the higher Fock states of the produced particle. The reduction of original set of correlators to a set of independent ones is achieved with the help of equations of motion and invariance of the scattering amplitude under rotation on the light-cone. As a concrete application, we compute the expressions of the impact factor for the transition of virtual photon to transversally polarised {rho}-meson up to the twist 3 accuracy. (Phys.Lett.B682:413-418,2010 and Nucl.Phys.B828:1-68,2010.). (authors)

  12. Association between Twist and multidrug resistance gene-associated proteins in Taxol®-resistant MCF-7 cells and a 293 cell model of Twist overexpression.

    Science.gov (United States)

    Wang, Li; Tan, Rui-Zhi; Zhang, Zhi-Xia; Yin, Rui; Zhang, Yong-Liang; Cui, Wei-Jia; He, Tao

    2018-01-01

    Multidrug resistance (MDR) severely limits the effectiveness of chemotherapy. Previous studies have identified Twist as a key factor of acquired MDR in breast, gastric and prostate cancer. However, the underlying mechanisms of action of Twist in MDR remain unclear. In the present study, the expression levels of MDR-associated proteins, including lung resistance-related protein (LRP), topoisomerase IIα (TOPO IIα), MDR-associated protein (MRP) and P-glycoprotein (P-gp), and the expression of Twist in cancerous tissues and pericancerous tissues of human breast cancer, were examined. In order to simulate Taxol ® resistance in cells, a Taxol ® -resistant human mammary adenocarcinoma cell subline (MCF-7/Taxol ® ) was established by repeatedly exposing MCF-7 cells to high concentrations of Taxol ® (up to 15 µg/ml). Twist was also overexpressed in 293 cells by transfecting this cell line with pcDNA5/FRT/TO vector containing full-length hTwist cDNA to explore the dynamic association between Twist and MDR gene-associated proteins. It was identified that the expression levels of Twist, TOPO IIα, MRP and P-gp were upregulated and LRP was downregulated in human breast cancer tissues, which was consistent with the expression of these proteins in the Taxol ® -resistant MCF-7 cell model. Notably, the overexpression of Twist in 293 cells increased the resistance to Taxol ® , Trichostatin A and 5-fluorouracil, and also upregulated the expression of MRP and P-gp. Taken together, these data demonstrated that Twist may promote drug resistance in cells and cancer tissues through regulating the expression of MDR gene-associated proteins, which may assist in understanding the mechanisms of action of Twist in drug resistance.

  13. Effect of Twisting and Stretching on Magneto Resistance and Spin Filtration in CNTs

    Directory of Open Access Journals (Sweden)

    Anil Kumar Singh

    2017-08-01

    Full Text Available Spin-dependent quantum transport properties in twisted carbon nanotube and stretched carbon nanotube are calculated using density functional theory (DFT and non-equilibrium green’s function (NEGF formulation. Twisting and stretching have no effect on spin transport in CNTs at low bias voltages. However, at high bias voltages the effects are significant. Stretching restricts any spin-up current in antiparallel configuration (APC, which results in higher magneto resistance (MR. Twisting allows spin-up current almost equivalent to the pristine CNT case, resulting in lower MR. High spin filtration is observed in PC and APC for pristine, stretched and twisted structures at all applied voltages. In APC, at low voltages spin filtration in stretched CNT is higher than in pristine and twisted ones, with pristine giving a higher spin filtration than twisted CNT.

  14. Intramolecular Schmidt reaction of acyl chlorides with alkyl azides: preparation of pyrrolizine by intramolecular capture of intermediates with alkenes or alkynes.

    Science.gov (United States)

    Wang, Bao-Juan; Xue, Ping; Gu, Peiming

    2015-02-11

    The preparation of substituted pyrrolizines through the Schmidt reaction of acyl chlorides with alkyl azides has been realized. Intramolecular capture of the isocyanate ion and N-acyliminium ion intermediates from the Schmidt process with alkene or alkyne units was achieved, and the efficiency of the conversion with respect to ring construction and bond formation was demonstrated.

  15. New fast organic scintillators using intramolecular bromine quenching

    Science.gov (United States)

    Berlman, I. B.; Lutz, S. S.; Flournoy, J. M.; Ashford, C. B.; Franks, L. A.; Lyons, P. B.

    1984-08-01

    Organic scintillator solutions with decay times as fast as 500 ps and with relatively high conversion efficiencies have been developed. The intramolecular quenching was achieved through the novel approach of adding a bromine atom to the 3- or 4-position of para-oligophenylenes, the fluorescent solutes in these binary solutions. The bromine serves to enhance singlet-to-triplet intersystem crossing in the chromophore, causing a reduction in the scintillation yield and a conconitant reduction in the decay time. The very fast value given above probably also involves some intermolecular self-quenching at high concentration. In addition, the bromine reduces the symmetry of the molecules, thereby increasing their solubility. Finally, an alkyl chain on the opposite para position further increases the solubility and also increases the immunity of the chromophore to quenching. The following solutes were studied in binary liquid solutions and to a limited extent in plastics: 4-bromo-4″-(5-hexadecyl)-p-terphenyl: (4-BHTP), 3-bromo-4″-(5-hexadecyl)-p-terphenyl: (3-BHTP), 4-bromo-p-terphenyl: (4-BTP), 3-bromo-p-terphenyl: (3-BTP), 4-bromo-4‴-(5-hexadecyl)-p-quaterphenyl: (4-BHQP). The decay times for binary liquid solutions in toluene (at the indicated concentrations) were 0.51 ns for 4-BHTP (0.14 M), 0.75 ns for 3-BHTP (0.14 M), 0.57 ns for 3-BTP (0.14 M), and 1.3 ns for 4-BHQP (0.06 M). Binary plastics with 4-BHTP as the solute in concentrations up to 0.14 M were cast in polystyrene. The shortest decay time, 0.40 ns, was measured for the 0.14 M concentration. A plastic scintillator containing 3-BTP (0.11 M in polystyrene) had a decay time of 0.85 ns. These results compare favorably with the plastic scintillator BC-422 whose decay time is about 1.4 ns.

  16. New fast organic scintillators using intramolecular bromine quenching

    International Nuclear Information System (INIS)

    Berlman, I.B.; Lutz, S.S.; Flournoy, J.M.; Ashford, C.B.; Franks, L.A.

    1984-01-01

    Organic scintillator solutions with decay times as fast as 500 ps and with relatively high conversion efficiencies have been developed. The intramolecular quenching was achieved through the novel approach of adding a bromine atom to the 3- or 4-position of para-oligophenylenes, the fluorescent solutes in these binary solutions. The bromine serves to enhance singlet-to-triplet intersystem crossing in the chromophore, causing a reduction in the scintillation yield and a concomitant reduction in the decay time. The very fast value given above probably also involves some intermolecular self-quenching at high concentration. In addition, the bromine reduces the symmetry of the molecules, thereby increasing their solubility. Finally, an alkyl chain on the opposite para position further increases the solubility and also increases the immunity of the chromophore to quenching. The decay times for binary liquid solutions in toluene (at the indicated concentrations) were 0.51 ns for 4-BHTP (0.14 M), 0.75 ns for 3-BHTP (0.14 M), 0.57 ns for 3-BTP (0.14 M), and 1.3 ns for 4-BHQP (0.06 M). Binary plastics with 4-BHTP as the solute in concentrations up to 0.14 M were cast in polystyrene. The shortest decay time, 0.40 ns, was measured for the 0.14 M concentration. A plastic scintillator containing 3-BTP (0.11 M in polystyrene) had a decay time of 0.85 ns. These results compare favorably with the plastic scintillator BC-422 whose decay time is about 1.4 ns. (orig./HSI)

  17. Analysis of a Caenorhabditis elegans Twist homolog identifies conserved and divergent aspects of mesodermal patterning

    OpenAIRE

    Harfe, Brian D.; Gomes, Ana Vaz; Kenyon, Cynthia; Liu, Jun; Krause, Michael; Fire, Andrew

    1998-01-01

    Mesodermal development is a multistep process in which cells become increasingly specialized to form specific tissue types. In Drosophila and mammals, proper segregation and patterning of the mesoderm involves the bHLH factor Twist. We investigated the activity of a Twist-related factor, CeTwist, during Caenorhabditis elegans mesoderm development. Embryonic mesoderm in C. elegans derives from a number of distinct founder cells that are specified during the early lineages; in contrast, a singl...

  18. Dynamical twisted mass fermions with light quarks. Simulation and analysis details

    Energy Technology Data Exchange (ETDEWEB)

    Boucaud, P. [Paris-11 Univ., 91 - Orsay (France). Lab. de Physique Theorique; Dimopoulos, P. [Rome-2 Univ. (Italy). Dipt. di Fisica; Farchioni, F. [Muenster Univ. (DE). Inst. fuer Theoretische Physik] (and others)

    2008-03-15

    In a recent paper (2007) we presented precise lattice QCD results of our European Twisted Mass Collaboration (ETMC). They were obtained by employing two mass-degenerate flavours of twisted mass fermions at maximal twist. In the present paper we give details on our simulations and the computation of physical observables. In particular, we discuss the problem of tuning to maximal twist, the techniques we have used to compute correlators and error estimates. In addition, we provide more information on the algorithm used, the autocorrelation times and scale determination, the evaluation of disconnected contributions and the description of our data by means of chiral perturbation theory formulae. (orig.)

  19. Dynamical twisted mass fermions with light quarks. Simulation and analysis details

    International Nuclear Information System (INIS)

    Boucaud, P.; Dimopoulos, P.; Farchioni, F.

    2008-03-01

    In a recent paper (2007) we presented precise lattice QCD results of our European Twisted Mass Collaboration (ETMC). They were obtained by employing two mass-degenerate flavours of twisted mass fermions at maximal twist. In the present paper we give details on our simulations and the computation of physical observables. In particular, we discuss the problem of tuning to maximal twist, the techniques we have used to compute correlators and error estimates. In addition, we provide more information on the algorithm used, the autocorrelation times and scale determination, the evaluation of disconnected contributions and the description of our data by means of chiral perturbation theory formulae. (orig.)

  20. On Interpolation Functions of the Generalized Twisted (h,q-Euler Polynomials

    Directory of Open Access Journals (Sweden)

    Kyoung Ho Park

    2009-01-01

    Full Text Available The aim of this paper is to construct p-adic twisted two-variable Euler-(h,q-L-functions, which interpolate generalized twisted (h,q-Euler polynomials at negative integers. In this paper, we treat twisted (h,q-Euler numbers and polynomials associated with p-adic invariant integral on ℤp. We will construct two-variable twisted (h,q-Euler-zeta function and two-variable (h,q-L-function in Complex s-plane.

  1. Measurement of curvature and twist of a deformed object using digital holography

    International Nuclear Information System (INIS)

    Chen Wen; Quan Chenggen; Cho Jui Tay

    2008-01-01

    Measurement of curvature and twist is an important aspect in the study of object deformation. In recent years, several methods have been proposed to determine curvature and twist of a deformed object using digital shearography. Here we propose a novel method to determine the curvature and twist of a deformed object using digital holography and a complex phasor. A sine/cosine transformation method and two-dimensional short time Fourier transform are proposed subsequently to process the wrapped phase maps. It is shown that high-quality phase maps corresponding to curvature and twist can be obtained. An experiment is conducted to demonstrate the validity of the proposed method

  2. Molecular structure and intramolecular hydrogen bonding in 2 ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 4 ... To understand the substitution effects on the nature of IHB and the electronic structure of the chelated ring system, the vibrational frequencies, 1H chemical shift, topological parameters, natural bond orders and natural charges over atoms involved in the ...

  3. Twisted speckle entities inside wave-front reversal mirrors

    International Nuclear Information System (INIS)

    Okulov, A. Yu

    2009-01-01

    The previously unknown property of the optical speckle pattern reported. The interference of a speckle with the counterpropagating phase-conjugated (PC) speckle wave produces a randomly distributed ensemble of a twisted entities (ropes) surrounding optical vortex lines. These entities appear in a wide range of a randomly chosen speckle parameters inside the phase-conjugating mirrors regardless to an internal physical mechanism of the wave-front reversal. These numerically generated interference patterns are relevant to the Brillouin PC mirrors and to a four-wave mixing PC mirrors based upon laser trapped ultracold atomic cloud.

  4. Twisting, supercoiling and stretching in protein bound DNA

    Science.gov (United States)

    Lam, Pui-Man; Zhen, Yi

    2018-04-01

    We have calculated theoretical results for the torque and slope of the twisted DNA, with various proteins bound on it, using the Neukirch-Marko model, in the regime where plectonemes exist. We found that the torque in the protein bound DNA decreases compared to that in the bare DNA. This is caused by the decrease in the free energy g(f) , and hence the smaller persistence lengths, in the case of protein bound DNA. We hope our results will encourage experimental investigations of supercoiling in protein bound DNA, which can provide further tests of the Neukirch-Marko model.

  5. Higher twist analysis of the proton g1 structure function

    International Nuclear Information System (INIS)

    We perform a global analysis of all available spin-dependent proton structure function data, covering a large range of Q 2 , 1= 2 = 2 , and calculate the lowest moment of the g 1 structure function as a function of Q 2 . From the Q 2 dependence of the lowest moment we extract matrix elements of twist-4 operators, and determine the color electric and magnetic polarizabilities of the proton to be χ E =0.026+/-0.015(stat)+/- 0.024 0.021 (sys) and χ B =-0.013-bar 0.007(stat)-bar 0.012 0.010 (sys), respectively

  6. Diffractive excitation of heavy flavors: Leading twist mechanisms

    International Nuclear Information System (INIS)

    Kopeliovich, B. Z.; Potashnikova, I. K.; Schmidt, Ivan; Tarasov, A. V.

    2007-01-01

    Diffractive production of heavy flavors is calculated within the light-cone dipole approach. Novel leading twist mechanisms are proposed, which involve both short and long transverse distances inside the incoming hadron. Nevertheless, the diffractive cross section turns out to be sensitive to the primordial transverse momenta of projectile gluons, rather than to the hadronic size. Our calculations agree with the available data for diffractive production of charm and beauty, and with the observed weak variation of the diffraction-to-inclusive cross section ratios as function of the hard scale

  7. Stretching, twisting and supercoiling in short, single DNA molecules

    Science.gov (United States)

    Lam, Pui-Man; Zhen, Yi

    2018-02-01

    We had combined the Neukirch-Marko model that describes the extension, torque and supercoiling in single, stretched and twisted DNA of infinite contour length, with a form of the free energy suggested by Sinha and Samuels to describe short DNA, with contour length only a few times the persistence length. We find that the free energy of the stretched but untwisted DNA, is significantly modified from its infinitely length value and this in turn modifies significantly the torque and supercoiling. We show that this is consistent with short DNA being more flexible than infinitely long DNA. We hope our results will stimulate experimental investigation of torque and supercoiling in short DNA.

  8. Minimal regular models of quadratic twists of genus two curves

    OpenAIRE

    Sadek, Mohammad

    2015-01-01

    Let $K$ be a complete discrete valuation field with ring of integers $R$ and residue field $k$ of characteristic $p>2$. We assume moreover that $k$ is algebraically closed. Let $C$ be a smooth projective geometrically connected curve of genus $2$. If $K(\\sqrt{D})/K$ is a quadratic field extension of $K$ with associated character $\\chi$, then $C^{\\chi}$ will denote the quadratic twist of $C$ by $\\chi$. Given the minimal regular model $\\mathcal X$ of $C$ over $R$, we determine the minimal regul...

  9. Nucleon electromagnetic form factors in twisted mass lattice QCD

    International Nuclear Information System (INIS)

    Alexandrou, C.; Jansen, K.; Korzec, T.; Humboldt Univ. Berlin

    2011-02-01

    We present results on the nucleon electromagnetic form factors within lattice QCD using two flavors of degenerate twisted mass fermions. Volume effects are examined using simulations at two volumes of spatial length L=2.1 fm and L=2.8 fm. Cut-off effects are investigated using three different values of the lattice spacings, namely a=0.089 fm, a=0.070 fm and a=0.056 fm. The nucleon magnetic moment, Dirac and Pauli radii are obtained in the continuum limit and chirally extrapolated to the physical pion mass allowing for a comparison with experiment. (orig.)

  10. Chiral condensate from the twisted mass Dirac operator spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Cichy, Krzysztof [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Garcia-Ramos, Elena [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany); Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Collaboration: European Twisted Mass Collaboration

    2013-03-15

    We present the results of our computation of the chiral condensate with N{sub f}=2 and N{sub f}=2+1+1 flavours of maximally twisted mass fermions. The condensate is determined from the Dirac operator spectrum, applying the spectral projector method proposed by Giusti and Luescher. We use 3 lattice spacings and several quark masses at each lattice spacing to reliably perform the chiral and continuum extrapolations. We study the effect of the dynamical strange and charm quarks by comparing our results for N{sub f}=2 and N{sub f}=2+1+1 dynamical flavours.

  11. Traveling waves in twisted nematic liquid crystal cells

    International Nuclear Information System (INIS)

    Zakharov, A.V.; Vakulenko, A.A.

    2007-01-01

    We have described a novel reorientation mechanism in the form of the traveling waves, under influence of an external electric field, directed parallel to both glass plates, which occur in the twisted nematic cell (TNC). It is found that the slowest velocity of the traveling front is proportional to the field strength, and, approximately, in three times higher than the front velocity corresponding to the non-traveling solution. The value of the critical electric field E cr which may excite the traveling waves in the TNC in π times less than the value of the threshold electric field E th corresponding to the untwisted geometry

  12. PHASE STRUCTURE OF TWISTED EGUCHI-KAWAI MODEL.

    Energy Technology Data Exchange (ETDEWEB)

    ISHIKAWA,T.; AZEYANAGI, T.; HANADA, M.; HIRATA, T.

    2007-07-30

    We study the phase structure of the four-dimensional twisted Eguchi-Kawai model using numerical simulations. This model is an effective tool for studying SU(N) gauge theory in the large-N limit and provides a nonperturbative formulation of the gauge theory on noncommutative spaces. Recently it was found that its Z{sub n}{sup 4} symmetry, which is crucial for the validity of this model, can break spontaneously in the intermediate coupling region. We investigate in detail the symmetry breaking point from the weak coupling side. Our simulation results show that the continuum limit of this model cannot be taken.

  13. ABOUT THE GEOMETRY AND THE APPLICATIONS OF THE TWISTED SURFACES

    Directory of Open Access Journals (Sweden)

    MÂRZA Carmen

    2015-06-01

    Full Text Available The helical and spiral surfaces are used in various fields. These surfaces are obtained by rotating a segment line called generatrix around directrices lines, respectively the spiral surfaces are obtained by composing simultaneously the movements of translation and rotation of a plane figure around an axis - which can be a straight line or a curved line, or around a real or imaginary surface - called core. After an overview of these surfaces, the attention of the authors will be focused on the geometrical and graphical analysis of the twisted surfaces in civil engineering branch, such as: columns, helical ramps and stairs, respectively buildings having a futuristic design.

  14. Position Control of Switched Reluctance Motor Using Super Twisting Algorithm

    Directory of Open Access Journals (Sweden)

    Muhammad Rafiq Mufti

    2016-01-01

    Full Text Available The inherent problem of chattering in traditional sliding mode control is harmful for practical application of control system. This paper pays a considerable attention to a chattering-free control method, that is, higher-order sliding mode (super twisting algorithm. The design of a position controller for switched reluctance motor is presented and its stability is assured using Lyapunov stability theorem. In order to highlight the advantages of higher-order sliding mode controller (HOSMC, a classical first-order sliding mode controller (FOSMC is also applied to the same system and compared. The simulation results reflect the effectiveness of the proposed technique.

  15. Conductance and activation energy for electron transport in series and parallel intramolecular circuits.

    Science.gov (United States)

    Hsu, Liang-Yan; Wu, Ning; Rabitz, Herschel

    2016-11-30

    We investigate electron transport through series and parallel intramolecular circuits in the framework of the multi-level Redfield theory. Based on the assumption of weak monomer-bath couplings, the simulations depict the length and temperature dependence in six types of intramolecular circuits. In the tunneling regime, we find that the intramolecular circuit rule is only valid in the weak monomer coupling limit. In the thermally activated hopping regime, for circuits based on two different molecular units M a and M b with distinct activation energies E act,a > E act,b , the activation energies of M a and M b in series are nearly the same as E act,a while those in parallel are nearly the same as E act,b . This study gives a comprehensive description of electron transport through intramolecular circuits from tunneling to thermally activated hopping. We hope that this work can motivate additional studies to design intramolecular circuits based on different types of building blocks, and to explore the corresponding circuit laws and the length and temperature dependence of conductance.

  16. Accounting for intra-molecular vibrational modes in open quantum system description of molecular systems.

    Science.gov (United States)

    Roden, Jan; Strunz, Walter T; Whaley, K Birgitta; Eisfeld, Alexander

    2012-11-28

    Electronic-vibrational dynamics in molecular systems that interact with an environment involve a large number of degrees of freedom and are therefore often described by means of open quantum system approaches. A popular approach is to include only the electronic degrees of freedom into the system part and to couple these to a non-Markovian bath of harmonic vibrational modes that is characterized by a spectral density. Since this bath represents both intra-molecular and external vibrations, it is important to understand how to construct a spectral density that accounts for intra-molecular vibrational modes that couple further to other modes. Here, we address this problem by explicitly incorporating an intra-molecular vibrational mode together with the electronic degrees of freedom into the system part and using the Fano theory for a resonance coupled to a continuum to derive an "effective" bath spectral density, which describes the contribution of intra-molecular modes. We compare this effective model for the intra-molecular mode with the method of pseudomodes, a widely used approach in simulation of non-Markovian dynamics. We clarify the difference between these two approaches and demonstrate that the respective resulting dynamics and optical spectra can be very different.

  17. Cerclage handling for improved fracture treatment. A biomechanical study on the twisting procedure.

    Science.gov (United States)

    Wähnert, D; Lenz, M; Schlegel, U; Perren, S; Windolf, M

    2011-01-01

    Twisting is clinically the most frequently applied method for tightening and maintaining cerclage fixation. The twisting procedure is controversially discussed. Several factors during twisting affect the mechanical behaviour of the cerclage. This in vitro study investigated the influence of different parameters of the twisting procedure on the fixation strength of the cerclage in an experimental setup with centripetal force application. Cortical half shells of the femoral shaft were mounted on a testing fixture. 1.0 mm, 1.25 mm and 1.5 mm stainless ste- el wire cerclages as well as a 1.0mm cable cerclage were applied to the bone. Pretension of the cerclage during the installation was measured during the locking procedure. Subsequently, cyclic testing was performed up to failure. Higher pretension could be achieved with increasing wire diameter. However, with larger wire diameter the drop of pre- tension due to the bending and cutting the twist also increased. The cable cerclage showed the highest pretension after locking. Cerclages twisted under traction revealed significantly higher initial cerclage tension. Plastically deformed twists offered higher cerclage pretension compared to twists which were deformed in the elastic region of the material. Cutting the wire within the twist caused the highest loss of cerclage tension (44% initial tension) whereas only 11 % was lost when cutting the wire ends separately. The bending direction of the twist significantly influenced the cerclage pretension. 45% pretension was lost in forward bending of the twist, 53% in perpendicular bending and 90% in backward bending. Several parameters affect the quality of a cerclage fixation. Adequate installation of cerclage wires could markedly improve the clinical outcome of cerclage.

  18. Twisting all the way: from algebras to morphisms and connections

    CERN Document Server

    Aschieri, Paolo

    2012-01-01

    Given a Hopf algebra H and an algebra A that is an H-module algebra we consider the category of left H-modules and A-bimodules, where morphisms are just right A-linear maps (not necessarily H-equivariant). Given a twist F of H we then quantize (deform) H to H^F, A to A_\\star and correspondingly the category of left H-modules and A-bimodules to the category of left H^F-modules and A_\\star-bimodules. If we consider a quasitriangular Hopf algebra H, a quasi-commutative algebra A and quasi-commutative A-bimodules, we can further construct and study tensor products over A of modules and of morphisms, and their twist quantization. This study leads to the definition of arbitrary (i.e., not necessarily H-equivariant) connections on quasi-commutative A-bimodules, to extend these connections to tensor product modules and to quantize them to A_\\star-bimodule connections. Their curvatures and those on tensor product modules are also determined.

  19. The topological B model as a twisted spinning particle

    International Nuclear Information System (INIS)

    Marcus, Neil; Yankielowicz, Shimon

    1994-01-01

    The B-twisted topological sigma model coupled to topological gravity is supposed to be described by an ordinary field theory: a type of holomorphic Chern-Simons theory for the open string, and the Kodaira-Spencer theory for the closed string. We show that the B model can be represented as a particle theory, obtained by reducing the sigma model to one dimension, and replacing the coupling to topological gravity by a coupling to a twisted one-dimensional supergravity. The particle can be defined on any Kaehler manifold - it does not require the Calabi-Yau condition - so it may provide a more generalized setting for the B model than the topological sigma model.The one-loop partition function of the particle can be written in terms of the Ray-Singer torsion of the manifold, and agrees with that of the original B model. After showing how to deform the Kaehler and complex structures in the particle, we prove the independence of this partition function on the Kaehler structure, and investigate the origin of the holomorphic anomaly. To define other amplitudes, one needs to introduce interactions into the particle. The particle will then define a field theory, which may or may not be the Chern-Simons or Kodaira-Spencer theories. ((orig.))

  20. Dickens's Dichotomous Formula for Social Reform In Oliver Twist

    Directory of Open Access Journals (Sweden)

    Taher Badinjki

    2016-11-01

    Full Text Available Oliver Twist was a direct appeal to society to take action against poverty, exploitation of children, oppression of women, and was meant to be a picture of the "dregs of life” in all their deformity and wretchedness. Among the most miserable inhabitants of the world of Oliver Twist, Nancy appears as a key figure.  Dickens was anxious to expose the truth about such a woman because he believed it would be a service to society. Dickens's portrayal of Nancy illustrates the power of the dual conception of womanhood  held at the time. On the one hand, a woman might be conceived as someone refined and somewhat remote from ordinary life like Rose Maylie. On the other hand, there was a certain fascination in a woman's degradation, even though that could be shown only indirectly.  Nancy is a demonstration of the two elements combined together. Dickens took the ideal nature of womanhood  and the depravity of the prostitute, and combined them in a remarkable dramatization which he had some right to claim was also true to life. The book is an astounding rebuttal of contemporary prejudice, and a call for more humane and liberal attitudes. These attitudes  are based on the concepts that there is now a radically different way of looking at human nature, that everything ought to depend on what one is in oneself, and that it is only in love that humans can live purposefully and happily with each other.

  1. The dipole representation of vector meson electroproduction beyond leading twist

    Energy Technology Data Exchange (ETDEWEB)

    Besse, A. [LPT, Universite Paris-Sud, CNRS, 91405, Orsay (France); Szymanowski, L. [National Center for Nuclear Research (NCBJ), Warsaw (Poland); Wallon, S., E-mail: wallon@th.u-psud.fr [LPT, Universite Paris-Sud, CNRS, 91405, Orsay (France); UPMC Univ. Paris 06, Faculte de Physique, 4 place Jussieu, 75252 Paris Cedex 05 (France)

    2013-02-01

    We link the recent computation beyond leading twist of the impact factor of the transition {gamma}{sub T}{sup Low-Asterisk }{yields}{rho}{sub T} performed in the light-cone collinear approach, to the dipole picture by expressing the hard part of the process through its Fourier transform in coordinate space. We show that in the Wandzura-Wilczek approximation the impact factor up to twist 3 factorises in the wave function of the photon combined with the distribution amplitudes of the {rho}-meson and the colour dipole scattering amplitude with the t-channel gluons. We show also that beyond the Wandzura-Wilczek approximation, the hard contribution of the amplitude still exhibits the signature of the interaction of a single colour dipole with the t-channel gluons. This result allows a phenomenological approach of the helicity amplitudes of the leptoproduction of vector meson, by combining our results to a dipole/target scattering amplitude model.

  2. Actions for non-abelian twisted self-duality

    Science.gov (United States)

    Samtleben, Henning

    2011-10-01

    The dynamics of abelian vector and antisymmetric tensor gauge fields can be described in terms of twisted self-duality equations. These first-order equations relate the p-form fields to their dual forms by demanding that their respective field strengths are dual to each other. It is well known that such equations can be integrated to a local action that carries on equal footing the p-forms together with their duals and is manifestly duality invariant. Space-time covariance is no longer manifest but still present with a non-standard realization of space-time diffeomorphisms on the gauge fields. In this paper, we give a non-abelian generalization of this first-order action by gauging part of its global symmetries. The resulting field equations are non-abelian versions of the twisted self-duality equations. A key element in the construction is the introduction of proper couplings to higher-rank tensor fields. We discuss possible applications (to Yang-Mills and supergravity theories) and comment on the relation to previous no-go theorems.

  3. NGC 5626: a massive fast rotator with a twist

    Science.gov (United States)

    Viaene, S.; Sarzi, M.; Baes, M.; Puerari, I.

    2018-02-01

    We present a kinematic analysis of the dust-lane elliptical NGC 5626 based on MUSE observations. These data allow us to robustly classify this galaxy as a fast rotator and to infer a virial mass of 1011.7 M⊙, making it one of the most massive fast rotators known. In addition, the depth and extent of the MUSE data reveal a strong kinematic twist in the stellar velocity field (by up to 45° beyond 1.5Re). A comparison with the ATLAS3D sample underlines the rareness of this system, although we show that such a large-scale kinematic twist could have been missed by the ATLAS3D data due to the limited spatial sampling of this survey (typically extending to 0.6Re for massive early-type galaxies). MUSE thus has the potential to unveil more examples of this type of galaxies. We discuss the environment and possible formation history of NGC 5626 and finally argue how a merger between the Milky Way and Andromeda could produce a galaxy of the same class as NGC 5626.

  4. Role of Molecular Weight Distribution on Charge Transport in Semiconducting Polymers

    KAUST Repository

    Himmelberger, Scott

    2014-10-28

    © 2014 American Chemical Society. Model semiconducting polymer blends of well-controlled molecular weight distributions are fabricated and demonstrated to be a simple method to control intermolecular disorder without affecting intramolecular order or degree of aggregation. Mobility measurements exhibit that even small amounts of low molecular weight material are detrimental to charge transport. Trends in charge carrier mobility can be reproduced by a simple analytical model which indicates that carriers have no preference for high or low molecular weight chains and that charge transport is limited by interchain hopping. These results quantify the role of long polymer tie-chains and demonstrate the need for controlled polydispersity for achieving high carrier mobilities.

  5. Exact zero vacuum energy in twisted SU(N) principal chiral field

    Energy Technology Data Exchange (ETDEWEB)

    Leurent, Sebastien [Univ. de Bourgogne Franche-Comte, Dijon (France). Inst. de Mathematique de Bourgogne; Sobko, Evgeny [DESY, Hamburg (Germany). Theory Group

    2015-11-15

    We present a finite set of equations for twisted PCF model. At the special twist in the root of unity we demonstrate that the vacuum energy is exactly zero at any size L. Also in SU(2) case we numerically calculate the energy of the single particle state with zero rapidity, as a function of L.

  6. The DNA Damage Transducer RNF8 Facilitates Cancer Chemoresistance and Progression through Twist Activation.

    Science.gov (United States)

    Lee, Hong-Jen; Li, Chien-Feng; Ruan, Diane; Powers, Scott; Thompson, Patricia A; Frohman, Michael A; Chan, Chia-Hsin

    2016-09-15

    Twist has been shown to cause treatment failure, cancer progression, and cancer-related death. However, strategies that directly target Twist are not yet conceivable. Here we reveal that K63-linked ubiquitination is a crucial regulatory mechanism for Twist activation. Through an E3 ligase screen and biochemical studies, we unexpectedly identified that RNF8 functions as a direct Twist activator by triggering K63-linked ubiquitination of Twist. RNF8-promoted Twist ubiquitination is required for Twist localization to the nucleus for subsequent EMT and CSC functions, thereby conferring chemoresistance. Our histological analyses showed that RNF8 expression is upregulated and correlated with disease progression, EMT features, and poor patient survival in breast cancer. Moreover, RNF8 regulates cancer cell migration and invasion and cancer metastasis, recapitulating the effect of Twist. Together, our findings reveal a previously unrecognized tumor-promoting function of RNF8 and provide evidence that targeting RNF8 is an appealing strategy to tackle tumor aggressiveness and treatment resistance. Copyright © 2016 Elsevier Inc. All rights reserved.

  7. A laser speckle sensor to measure the distribution of static torsion angles of twisted targets

    DEFF Research Database (Denmark)

    Rose, B.; Imam, H.; Hanson, Steen Grüner

    1998-01-01

    . A cylindrical lens serves to image the closely spaced lateral positions of the target along the twist axis onto corresponding lines of the two dimensional image sensor. Thus, every single line of the image sensor measures the torsion angle of the corresponding surface position along the twist axis of the target...

  8. Higher twist effects in QCD description of light meson exclusive formfactors

    International Nuclear Information System (INIS)

    Gorskij, A.S.

    1987-01-01

    The general approach to a quantitative description of higher twist effects in hard exclusive processes in QCD is proposed. The consistent calculations in coordinate space and the choice of special gauges for quantum and classical gluon fields are essential ingradients of this method. The self consistent system of twist three wave functions for π-meson has been built

  9. Twist1-induced epithelial-mesenchymal transition according to microsatellite instability status in colon cancer cells.

    Science.gov (United States)

    Oh, Bo Young; Kim, So-Young; Lee, Yeo Song; Hong, Hye Kyung; Kim, Tae Won; Kim, Seok Hyung; Lee, Woo Yong; Cho, Yong Beom

    2016-08-30

    Colorectal cancer (CRC) with microsatellite instability (MSI) may exhibit impaired epithelial-mesenchymal transition (EMT), but little is known about the underlying mechanisms of this phenomenon. In this study, we investigated the role of Twist1 and its downstream signaling cascades in EMT induction according to MSI status. To investigate the effects of Twist1 on EMT induction according to MSI status, MSS LS513 and MSI LoVo colon cancer cell lines, which overexpress human Twist1, were generated. Twist1-induced EMT and its downstream signaling pathways were evaluated via in vitro and in vivo experiments. We found that Twist1 induced EMT markers and stem cell-like characteristics via AKT signaling pathways. Twist1 induced activation of AKT and suppression of glycogen synthase kinase (GSK)-3β, which resulted in the activation of β-catenin, increasing CD44 expression. In addition, Twist1 activated the AKT-induced NF-κB pathway, increasing CD44 and CD166 expression. Activation of both the AKT/GSK-3β/β-catenin and AKT/NF-κB pathways occurred in MSS LS513 cells, while only the AKT/GSK-3β/β-catenin pathway was activated in MSI LoVo cells. In conclusion, Twist1 induces stem cell-like characteristics in colon cancer cell lines related to EMT via AKT signaling pathways, and those pathways depend on MSI status.

  10. Vacuum fluctuations of twisted fields in the space time of cosmic strings

    International Nuclear Information System (INIS)

    Matsas, G.E.A.

    1990-01-01

    A twisted scalar field conformally coupled to gravitation is used to calculate the vacuum stress-energy tensor in the background spacetime generated by an infinite straight gauge cosmic string. The result has an absolute numerical value close to the one obtained with a non-twisted conformal scalar field but their signals are opposite. (author) [pt

  11. Using Pretwist to Reduce Power Loss of Bend-Twist Coupled Blades

    DEFF Research Database (Denmark)

    Stäblein, Alexander; Tibaldi, Carlo; Hansen, Morten Hartvig

    2016-01-01

    Bend-twist coupling of wind turbine blades is known as a means to reduce the structural loads of the turbine. While the load reduction is desirable, bend-twist coupling also leads to a decrease in the annual energy production of the turbine. The reduction is mainly related to a no longer optimal...

  12. The geometrical origin of the strain-twist coupling in double helices

    DEFF Research Database (Denmark)

    Olsen, Kasper; Bohr, Jakob

    2011-01-01

    A simple geometrical explanation for the counterintuitive phenomenon when twist leads to extension in double helices is presented. The coupling between strain and twist is investigated using a tubular description. It is shown that the relation between strain and rotation is universal and depends...

  13. Aerodynamic design of horizontal axis wind turbine with innovative local linearization of chord and twist distributions

    DEFF Research Database (Denmark)

    Tahani, Mojtaba; Kavari, Ghazale; Masdari, Mehran

    2017-01-01

    This study is aimed to aerodynamically design a 1 mega-Watt horizontal axis wind turbine in order to obtain the maximum power coefficient by linearizing the chord and twist distributions. A new linearization method has been used for chord and twist distributions by crossing tangent line through d...

  14. Two-electron Oxidation of a Twisted Non Anti-aromatic 40π ...

    Indian Academy of Sciences (India)

    PRACHI GUPTA, SANTOSH P PANCHAL and VENKATARAMANARAO G ANAND. ∗. Department of Chemistry ... synthesis of the first twisted 40π expanded isophlorin and also its two-electron oxidation to a 38π dication. It sustains the twisted .... Tanaka T, Aratani N, Lim J M, Kim K S, Kim D and. Osuka A 2011 Chem. Sci.

  15. Osserman and conformally Osserman manifolds with warped and twisted product structure

    OpenAIRE

    Brozos-Vazquez, M.; Garcia-Rio, E.; Vazquez-Lorenzo, R.

    2008-01-01

    We characterize Osserman and conformally Osserman Riemannian manifolds with the local structure of a warped product. By means of this approach we analyze the twisted product structure and obtain, as a consequence, that the only Osserman manifolds which can be written as a twisted product are those of constant curvature.

  16. Twisted acceleration-enlarged Newton-Hooke space-times and conservative force terms

    OpenAIRE

    Daszkiewicz, Marcin

    2011-01-01

    There are analyzed two classical systems defined on twist-deformed acceleration-enlarged Newton-Hooke space-times - nonrelativistic particle moving in constant field force $\\vec{F}$ and harmonic oscillator model. It is demonstrated that only in the case of canonical twist deformation the force terms generated by space-time noncommutativity remain conservative for both models.

  17. Effect of twist on single-mode fiber-optic 3 × 3 couplers

    Science.gov (United States)

    Chen, Dandan; Ji, Minning; Peng, Lei

    2018-01-01

    In the fabricating process of a 3 × 3 fused tapered coupler, the three fibers are usually twisted to be close-contact. The effect of twist on 3 × 3 fused tapered couplers is investigated in this paper. It is found that though a linear 3 × 3 coupler may realize equal power splitting ratio theoretically by twisting a special angle, it is hard to be fabricated actually because the twist angle and the coupler's length must be determined in advance. While an equilateral 3 × 3 coupler can not only realize approximate equal power splitting ratio theoretically but can also be fabricated just by controlling the elongation length. The effect of twist on the equilateral 3 × 3 coupler lies in the relationship between the equal ratio error and the twist angle. The more the twist angle is, the larger the equal ratio error may be. The twist angle usually should be no larger than 90° on one coupling period length in order to keep the equal ratio error small enough. The simulation results agree well with the experimental data.

  18. Two new twisted helical nickel(II) and cobalt(III) octahedral monomer ...

    Indian Academy of Sciences (India)

    two complexes are isostructural with octahedral coordination environment exhibiting helical twist topology. They also display strong H-bonding as well as CH-π interactions to generate 1D chain. Keywords. Coordination chemistry; nickel(II); cobalt(III); Schiff base; twisted helicity; supramolecular interactions. 1. Introduction.

  19. Surprisingly Mild Enolate-Counterion-Free Pd(0)-Catalyzed Intramolecular Allylic Alkylations

    DEFF Research Database (Denmark)

    Madec, David; Prestat, Guillaume; Martini, Elisabetta

    2005-01-01

    Palladium-catalyzed intramolecular allylic alkylations of unsaturated EWG-activated amides can take place under phase-transfer conditions or in the presence of a crown ether. These new reaction conditions are milder and higher yielding than those previously reported. A rationalization for such an......Palladium-catalyzed intramolecular allylic alkylations of unsaturated EWG-activated amides can take place under phase-transfer conditions or in the presence of a crown ether. These new reaction conditions are milder and higher yielding than those previously reported. A rationalization...

  20. Gold versus silver catalyzed intramolecular hydroarylation reactions of [(3-arylprop-2-ynyl)oxy]benzene derivatives.

    Science.gov (United States)

    Arcadi, Antonio; Blesi, Federico; Cacchi, Sandro; Fabrizi, Giancarlo; Goggiamani, Antonella; Marinelli, Fabio

    2012-12-28

    The scope and the generality of gold versus silver catalyzed intramolecular hydroarylation reactions of 3-[(3-arylprop-2-ynyl)oxy]benzene derivatives in terms of rings substitution were investigated. Only products deriving from 6-endo cyclization were exclusively formed. The features of substituents had a considerable effect on the reaction outcome in the presence of silver catalysis, whereas gold catalysis revealed a unique blend of reactivity and selectivity and represented the only choice for the intramolecular hydroarylation reaction of the starting substrates bearing electron deficient arenes.

  1. The effect of intramolecular quantum modes on free energy relationships for electron transfer reactions

    DEFF Research Database (Denmark)

    Ulstrup, Jens; Jortner, Joshua

    1975-01-01

    -frequency intramolecular degrees of feedom on the free energy relationship for series of closely related reactions was investigated for various model systems involving displacement of potential energy surfaces, frequency shift, and anharmonicity effects. The free energy plots are generally found to pass through a maximum...... and to be asymmetric with a slower decrease in the transition probability with increasing energy of reaction. For high-frequency intramolecular modes this provides a rationalization of the experimental observation of ''activationless'' regions. Isotope effects are discussed as also are the oscillatory free energy...

  2. Influence of intramolecular and intermolecular hydrogen bonding on the fluorescence decay time of indigo derivatives

    International Nuclear Information System (INIS)

    Schneider, S.; Lill, E.; Hefferle, P.; Doerr, F.

    1981-01-01

    It is well known that both intramolecular and intermolecular hydrogen bonding can lead to drastic changes in the lifetime of the first excited singlet state. By employing a synchronously pumped, mode-locked dye-laser for excitation in connection with a continuously operated streak camera for detection, the solvent-dependent fluorescence decay times of several indigo derivatives were determined with high temporal resolution (approx. 5 ps with deconvolution). It is found that in indigo dyes intramolecular hydrogen bonding gives rise to a strong fluorescence quenching; intermolecular hydrogen bonding can also provide a channel for fast radiationless deactivation in those derivatives in which the former are not present. (author)

  3. Twist-3 effect from the longitudinally polarized proton for ALT in hadron production from pp collisions

    Science.gov (United States)

    Koike, Yuji; Pitonyak, Daniel; Yoshida, Shinsuke

    2016-08-01

    We compute the contribution from the longitudinally polarized proton to the twist-3 double-spin asymmetry ALT in inclusive (light) hadron production from proton-proton collisions, i.e., p↑ p → → h X. We show that using the relevant QCD equation-of-motion relation and Lorentz invariance relation allows one to eliminate the twist-3 quark-gluon correlator (associated with the longitudinally polarized proton) in favor of one-variable twist-3 quark distributions and the (twist-2) transversity parton density. Including this result with the twist-3 pieces associated with the transversely polarized proton and unpolarized final-state hadron (which have already been calculated in the literature), we now have the complete leading-order cross section for this process.

  4. An improved hazard rate twisting approach for the statistic of the sum of subexponential variates

    KAUST Repository

    Rached, Nadhir B.

    2015-01-01

    In this letter, we present an improved hazard rate twisting technique for the estimation of the probability that a sum of independent but not necessarily identically distributed subexponential Random Variables (RVs) exceeds a given threshold. Instead of twisting all the components in the summation, we propose to twist only the RVs which have the biggest impact on the right-tail of the sum distribution and keep the other RVs unchanged. A minmax approach is performed to determine the optimal twisting parameter which leads to an asymptotic optimality criterion. Moreover, we show through some selected simulation results that our proposed approach results in a variance reduction compared to the technique where all the components are twisted.

  5. Gauging the twisted Poincare symmetry as a noncommutative theory of gravitation

    International Nuclear Information System (INIS)

    Chaichian, M.; Tureanu, A.; Oksanen, M.; Zet, G.

    2009-01-01

    Einstein's theory of general relativity was formulated as a gauge theory of Lorentz symmetry by Utiyama in 1956, while the Einstein-Cartan gravitational theory was formulated by Kibble in 1961 as the gauge theory of Poincare transformations. In this framework, we propose a formulation of the gravitational theory on canonical noncommutative space-time by covariantly gauging the twisted Poincare symmetry, in order to fulfil the requirement of covariance under the general coordinate transformations, an essential ingredient of the theory of general relativity. It appears that the twisted Poincare symmetry cannot be gauged by generalizing the Abelian twist to a covariant non-Abelian twist, nor by introducing a more general covariant twist element. The advantages of such a formulation as well as the related problems are discussed and possible ways out are outlined.

  6. Twist-3 effect from the longitudinally polarized proton for ALT in hadron production from pp collisions

    Directory of Open Access Journals (Sweden)

    Yuji Koike

    2016-08-01

    Full Text Available We compute the contribution from the longitudinally polarized proton to the twist-3 double-spin asymmetry ALT in inclusive (light hadron production from proton–proton collisions, i.e., p↑p→→hX. We show that using the relevant QCD equation-of-motion relation and Lorentz invariance relation allows one to eliminate the twist-3 quark-gluon correlator (associated with the longitudinally polarized proton in favor of one-variable twist-3 quark distributions and the (twist-2 transversity parton density. Including this result with the twist-3 pieces associated with the transversely polarized proton and unpolarized final-state hadron (which have already been calculated in the literature, we now have the complete leading-order cross section for this process.

  7. The geometrical origin of the strain-twist coupling in double helices

    Directory of Open Access Journals (Sweden)

    Kasper Olsen

    2011-03-01

    Full Text Available A simple geometrical explanation for the counterintuitive phenomenon when twist leads to extension in double helices is presented. The coupling between strain and twist is investigated using a tubular description. It is shown that the relation between strain and rotation is universal and depends only on the pitch angle. For pitch angles below 39.4° strain leads to further winding, while for larger pitch angles strain leads to unwinding. The zero-twist structure, with a pitch angle of 39.4°, is at the unique point between winding and unwinding and independent of the mechanical properties of the double helix. The existence of zero-twist structures, i.e. structures that display neither winding, nor unwinding under strain is discussed. Close-packed double helices are shown to extend rather than shorten when twisted. Numerical estimates of this elongation upon winding are given for DNA, chromatin, and RNA.

  8. Experimental study of yttrium barium copper oxide superconducting tape's critical current under twisting moment

    International Nuclear Information System (INIS)

    Khan, Ziauddin; Kundu, Ananya; Pradhan, Subrata

    2013-01-01

    Critical current (I c ) characteristics of 2G YBCO superconducting tape under the influence of twisting moment was experimentally investigated at varying current ramp rates in the self-field. Under a uniform twist, the degradation in the current-carrying capacity of YBCO tape up to 30% was observed at 77 K. The degradation is largely attributed to the shear stress and torsional shear strain resulting from the twisting. The superconductor to resistive transition index, n, is also found to behave in an identical manner with increase in the twisting. Finite element analysis (FEA) of the tape in the experimental configuration with twisting moment being applied on to it has been carried out in COMSOL. The torsional strain calculated analytically as per the experimental configuration matches closely with that of FEA results, which shows that the critical current degradation is a function of strain. (author)

  9. QCD factorization of exclusive processes beyond leading twist: γT*→ρT impact factor with twist three accuracy

    International Nuclear Information System (INIS)

    Anikin, I.V.; Ivanov, D.Yu.; Pire, B.; Szymanowski, L.; Wallon, S.

    2010-01-01

    We describe a consistent approach to factorization of scattering amplitudes for exclusive processes beyond the leading twist approximation. The method involves the Taylor expansion of the scattering amplitude in the momentum space around the dominant light-cone direction and thus naturally introduces an appropriate set of non-perturbative correlators which encode effects not only of the lowest but also of the higher Fock states of the produced particle. The reduction of original set of correlators to a set of independent ones is achieved with the help of equations of motion and invariance of the scattering amplitude under rotation on the light cone. We compare the proposed method with the covariant method formulated in the coordinate space, based on the operator product expansion. We prove the equivalence of two proposed parametrizations of the ρ T distribution amplitudes. As a concrete application, we compute the expressions of the impact factor for the transition of virtual photon to transversally polarised ρ-meson up to the twist 3 accuracy within these two quite different methods and show that they are identical.

  10. Twist-1 Up-Regulation in Carcinoma Correlates to Poor Survival

    Directory of Open Access Journals (Sweden)

    Alimujiang Wushou

    2014-11-01

    Full Text Available Epithelial-to-mesenchymal transition (EMT facilitates tumor metastasis. Twist is a basic helix-loop-helix protein that modulates many target genes through E-box-responsive elements. There are two twist-like proteins, Twist-1 and Twist-2, sharing high structural homology in mammals. Twist-1 was found to be a key factor in the promotion of metastasis of cancer cells, and is known to induce EMT. Twist-1 participation in carcinoma progression and metastasis has been reported in a variety of tumors. However, controversy exists concerning the correlation between Twist-1 and prognostic value with respect to carcinoma. A systematic review and meta-analysis were performed to determine whether the expression of Twist-1 was associated with the prognosis of carcinoma patients. This analysis included 17 studies: four studies evaluated lung cancer, three evaluated head and neck cancer, two evaluated breast cancer, two evaluated esophageal cancer, two evaluated liver cancer and one each evaluated osteosarcoma, bladder, cervical and ovarian cancer. A total of 2006 patients were enrolled in these studies, and the median trial sample size was 118 patients. Twist-1 expression was associated with worse overall survival (OS at both 3 years (hazard ratio “HR” for death = 2.13, 95% CI = 1.86 to 2.45, p < 0.001 and 5 years (HR for death = 2.01, 95% CI = 1.76 to 2.29, p < 0.001. Expression of Twist-1 is associated with worse survival in carcinoma.

  11. Nonlinear and hysteretic twisting effects in ocean cable laying

    International Nuclear Information System (INIS)

    Shashaty, A.J.

    1983-01-01

    Armored ocean cable unlays under the action of installation tensions and restraining moments applied by the ocean bottom and the ship's bow sheave. The process of elongation and twist is nonlinear and hysteretic. This process has often been assumed linear and reversible. The equations describing the moment which is developed in laying cable on the ocean bottom are worked out, without assuming linearity and reversibility. These equations are applied to some cases likely to arise. For a typical armored coaxial cable laid in 3700m (2,000 fathoms) depth without bottom tension, a steady-state laying-up moment of 134Nm (99 lbs. ft.) is developed. For the reversible case, no moment is developed. If the bottom tension is increased from zero to 33,375N (7500 lbs.) and then returned to zero, a peak moment of 198Nm (146 lbs. ft.) is developed

  12. Accelerating Twisted Mass LQCD with QPhiX

    Energy Technology Data Exchange (ETDEWEB)

    Schröck, Mario [INFN, Rome3; Simula, Silvano [INFN, Rome3; Strelchenko, Alexei [Fermilab

    2016-07-08

    We present the implementation of twisted mass fermion operators for the QPhiX library. We analyze the performance on the Intel Xeon Phi (Knights Corner) coprocessor as well as on Intel Xeon Haswell CPUs. In particular, we demonstrate that on the Xeon Phi 7120P the Dslash kernel is able to reach 80\\% of the theoretical peak bandwidth, while on a Xeon Haswell E5-2630 CPU our generated code for the Dslash operator with AVX2 instructions outperforms the corresponding implementation in the tmLQCD library by a factor of $\\sim 5\\times$ in single precision. We strong scale the code up to 6.8 (14.1) Tflops in single (half) precision on 64 Xeon Haswell CPUs.

  13. Existence and equivalence of twisted products on a symplectic manifold

    International Nuclear Information System (INIS)

    Lichnerowicz, A.

    1979-01-01

    The twisted products play an important role in Quantum Mechanics. A distinction is introduced between Vey *sub(γ) products and strong Vey *sub(γ) products and it is proved that each *sub(γ) product is equivalent to a Vey *sub(γ) product. If b 3 (W) = 0, the symplectic manifold (W,F) admits strong Vey *sub(Gn) products. If b 2 (W) = 0, all *sub(γ) products are equivalent as well as the Vey Lie algebras. In the general case the formal Lie algebras are characterized which are generated by a *sub(γ) product and it proved that the existance of a *sub(γ)-product is equivalent to the existance of a formal Lie algebra infinitesimally equivalent to a Vey Lie algebra at the first order. (Auth.)

  14. Threshold corrections and gauge symmetry in twisted superstring models

    International Nuclear Information System (INIS)

    Pierce, D.M.

    1994-01-01

    Threshold corrections to the running of gauge couplings are calculated for superstring models with free complex world sheet fermions. For two N=1 SU(2)xU(1) 5 models, the threshold corrections lead to a small increase in the unification scale. Examples are given to illustrate how a given particle spectrum can be described by models with different boundary conditions on the internal fermions. We also discuss how complex twisted fermions can enhance the symmetry group of an N=4, SU(3)xU(1)xU(1) model to the gauge group SU(3)xSU(2)xU(1). It is then shown how a mixing angle analogous to the Weinberg angle depends on the boundary conditions of the internal fermions

  15. Effective electrical and thermal conductivity of multifilament twisted superconductors

    International Nuclear Information System (INIS)

    Chechetkin, V.R.

    2013-01-01

    The effective electrical and thermal conductivity of composite wire with twisted superconducting filaments embedded into normal metal matrix is calculated using the extension of Bruggeman method. The resistive conductivity of superconducting filaments is described in terms of symmetric tensor, whereas the conductivity of a matrix is assumed to be isotropic and homogeneous. The dependence of the resistive electrical conductivity of superconducting filaments on temperature, magnetic field, and current density is implied to be parametric. The resulting effective conductivity tensor proved to be non-diagonal and symmetric. The non-diagonal transverse–longitudinal components of effective electrical conductivity tensor are responsible for the redistribution of current between filaments. In the limits of high and low electrical conductivity of filaments the transverse effective conductivity tends to that of obtained previously by Carr. The effective thermal conductivity of composite wires is non-diagonal and radius-dependent even for the isotropic and homogeneous thermal conductivities of matrix and filaments.

  16. Nucleon and delta masses in twisted mass chiral perturbation theory

    International Nuclear Information System (INIS)

    Walker-Loud, Andre; Wu, Jackson M.S.

    2005-01-01

    We calculate the masses of the nucleons and deltas in twisted mass heavy baryon chiral perturbation theory. We work to quadratic order in a power counting scheme in which we treat the lattice spacing, a, and the quark masses, m q , to be of the same order. We give expressions for the mass and the mass splitting of the nucleons and deltas both in and away from the isospin limit. We give an argument using the chiral Lagrangian treatment that, in the strong isospin limit, the nucleons remain degenerate and the delta multiplet breaks into two degenerate pairs to all orders in chiral perturbation theory. We show that the mass splitting between the degenerate pairs of the deltas first appears at quadratic order in the lattice spacing. We discuss the subtleties in the effective chiral theory that arise from the inclusion of isospin breaking

  17. Fatigue Behaviors of Materials Processed by Planar Twist Extrusion

    Science.gov (United States)

    Ebrahimi, Mahmoud

    2017-12-01

    Since the last decade, the fabrication of ultrafine grain and nanostructure metals and alloys has attracted much attention in the field of materials engineering. The present study aimed at experimentally investigating the fatigue properties that are of great importance in dynamic structures before and after the planar twist extrusion process for both commercially pure copper and 6061 aluminum alloy. The results indicated that the yield strength, tensile strength, hardness, and fatigue endurance of copper increased by about 398, 122, 198, and 183 pct, respectively, while they improved by about 429, 212, 227, and 148 pct, respectively, in aluminum alloy as compared to the initial conditions. The stress-strain curves displayed sizable reduction of strain hardening. Furthermore, grain-size correction factors based on the empirical results were introduced to include the effect of the grain-size effect on both low and high-cycle fatigue strengths of the material.

  18. DNA origami-based nanoribbons: assembly, length distribution, and twist

    International Nuclear Information System (INIS)

    Jungmann, Ralf; Scheible, Max; Kuzyk, Anton; Pardatscher, Guenther; Simmel, Friedrich C; Castro, Carlos E

    2011-01-01

    A variety of polymerization methods for the assembly of elongated nanoribbons from rectangular DNA origami structures are investigated. The most efficient method utilizes single-stranded DNA oligonucleotides to bridge an intermolecular scaffold seam between origami monomers. This approach allows the fabrication of origami ribbons with lengths of several micrometers, which can be used for long-range ordered arrangement of proteins. It is quantitatively shown that the length distribution of origami ribbons obtained with this technique follows the theoretical prediction for a simple linear polymerization reaction. The design of flat single layer origami structures with constant crossover spacing inevitably results in local underwinding of the DNA helix, which leads to a global twist of the origami structures that also translates to the nanoribbons.

  19. DNA origami-based nanoribbons: assembly, length distribution, and twist

    Energy Technology Data Exchange (ETDEWEB)

    Jungmann, Ralf; Scheible, Max; Kuzyk, Anton; Pardatscher, Guenther; Simmel, Friedrich C [Lehrstuhl fuer Bioelektronik, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany); Castro, Carlos E, E-mail: simmel@ph.tum.de [Labor fuer Biomolekulare Nanotechnologie, Physik-Department and ZNN/WSI, Technische Universitaet Muenchen, Am Coulombwall 4a, 85748 Garching (Germany)

    2011-07-08

    A variety of polymerization methods for the assembly of elongated nanoribbons from rectangular DNA origami structures are investigated. The most efficient method utilizes single-stranded DNA oligonucleotides to bridge an intermolecular scaffold seam between origami monomers. This approach allows the fabrication of origami ribbons with lengths of several micrometers, which can be used for long-range ordered arrangement of proteins. It is quantitatively shown that the length distribution of origami ribbons obtained with this technique follows the theoretical prediction for a simple linear polymerization reaction. The design of flat single layer origami structures with constant crossover spacing inevitably results in local underwinding of the DNA helix, which leads to a global twist of the origami structures that also translates to the nanoribbons.

  20. Intramolecular Diels-Alder reactions of pyrimidines, a synthetic and computational study

    NARCIS (Netherlands)

    Stolle, W.A.W.

    1992-01-01

    This thesis deals with an investigation on the ringtransformation reactions of 2and 5-(ω-alkynyl)pyrimidine derivatives, which undergo upon heating an intramolecular Diels-Alder reaction and subsequently a spontaneous retro Diels- Alder reaction. To get a better insight into the

  1. Potassium hydroxide/dimethyl sulfoxide promoted intramolecular cyclization for the synthesis of benzimidazol-2-ones.

    Science.gov (United States)

    Beyer, Astrid; Reucher, Christine M M; Bolm, Carsten

    2011-06-03

    A new protocol for intramolecular N-arylations of ureas to form benzimidazol-2-ones has been developed. The cyclization reaction occurs in the presence of KOH and DMSO at close to ambient temperature. Under these conditions the yields are high and a wide range of functional groups are tolerated.

  2. Optimized measurements of separations and angles between intra-molecular fluorescent markers

    DEFF Research Database (Denmark)

    Mortensen, Kim; Sung, Jongmin; Flyvbjerg, Henrik

    2015-01-01

    We demonstrate a novel, yet simple tool for the study of structure and function of biomolecules by extending two-colour co-localization microscopy to fluorescent molecules with fixed orientations and in intra-molecular proximity. From each colour-separated microscope image in a time-lapse movie...

  3. Intramolecular hydrogen bond: Can it be part of the basis set of ...

    Indian Academy of Sciences (India)

    IMHB appears in one of the equivalent complete VIC basis sets, its RFC could be used as a measure of bond strength parameter. Keywords. Hydrogen bond; intramolecular; relaxed force constant; normal mode analysis; bond strength parameter. 1. Introduction. The advantages of the compliance constants (the inverse.

  4. Neutral versus cationic Group 3 metal alkyl catalysts : performance in intramolecular hydroamination/cyclisation

    NARCIS (Netherlands)

    de Araujo Bambirra, Sergio; Tsurugi, H; van Leusen, D; Hessen, B

    2006-01-01

    The relative catalytic activity of neutral dialkyl versus cationic monoalkyl Group 3 metal catalysts in the intramolecular hydroamination/cyclisation of the 2,2-dimethyl-4-pentenylamine reference substrate was investigated. This was found to depend strongly on the nature of the monoanionic ancillary

  5. Isotope effects on chemical shifts in the study of intramolecular hydrogen bonds

    DEFF Research Database (Denmark)

    Hansen, Poul Erik

    2015-01-01

    The paper deals with the use of isotope effects on chemical shifts in characterizing intramolecular hydrogen bonds. Both so-called resonance-assisted (RAHB) and non-RAHB systems are treated. The importance of RAHB will be discussed. Another very important issue is the borderline between “static” ...

  6. Regio-Selective Intramolecular Hydrogen/Deuterium Exchange in Gas-Phase Electron Transfer Dissociation

    Science.gov (United States)

    Hamuro, Yoshitomo

    2017-05-01

    Protein backbone amide hydrogen/deuterium exchange mass spectrometry (HDX-MS) typically utilizes enzymatic digestion after the exchange reaction and before MS analysis to improve data resolution. Gas-phase fragmentation of a peptic fragment prior to MS analysis is a promising technique to further increase the resolution. The biggest technical challenge for this method is elimination of intramolecular hydrogen/deuterium exchange (scrambling) in the gas phase. The scrambling obscures the location of deuterium. Jørgensen's group pioneered a method to minimize the scrambling in gas-phase electron capture/transfer dissociation. Despite active investigation, the mechanism of hydrogen scrambling is not well-understood. The difficulty stems from the fact that the degree of hydrogen scrambling depends on instruments, various parameters of mass analysis, and peptide analyzed. In most hydrogen scrambling investigations, the hydrogen scrambling is measured by the percentage of scrambling in a whole molecule. This paper demonstrates that the degree of intramolecular hydrogen/deuterium exchange depends on the nature of exchangeable hydrogen sites. The deuterium on Tyr amide of neurotensin (9-13), Arg-Pro-Tyr-Ile-Leu, migrated significantly faster than that on Ile or Leu amides, indicating the loss of deuterium from the original sites is not mere randomization of hydrogen and deuterium but more site-specific phenomena. This more precise approach may help understand the mechanism of intramolecular hydrogen exchange and provide higher confidence for the parameter optimization to eliminate intramolecular hydrogen/deuterium exchange during gas-phase fragmentation.

  7. Intramolecular 13C analysis of tree rings provides multiple plant ecophysiology signals covering decades.

    Science.gov (United States)

    Wieloch, Thomas; Ehlers, Ina; Yu, Jun; Frank, David; Grabner, Michael; Gessler, Arthur; Schleucher, Jürgen

    2018-03-22

    Measurements of carbon isotope contents of plant organic matter provide important information in diverse fields such as plant breeding, ecophysiology, biogeochemistry and paleoclimatology. They are currently based on 13 C/ 12 C ratios of specific, whole metabolites, but we show here that intramolecular ratios provide higher resolution information. In the glucose units of tree-ring cellulose of 12 tree species, we detected large differences in 13 C/ 12 C ratios (>10‰) among carbon atoms, which provide isotopically distinct inputs to major global C pools, including wood and soil organic matter. Thus, considering position-specific differences can improve characterisation of soil-to-atmosphere carbon fluxes and soil metabolism. In a Pinus nigra tree-ring archive formed from 1961 to 1995, we found novel 13 C signals, and show that intramolecular analysis enables more comprehensive and precise signal extraction from tree rings, and thus higher resolution reconstruction of plants' responses to climate change. Moreover, we propose an ecophysiological mechanism for the introduction of a 13 C signal, which links an environmental shift to the triggered metabolic shift and its intramolecular 13 C signature. In conclusion, intramolecular 13 C analyses can provide valuable new information about long-term metabolic dynamics for numerous applications.

  8. Synthesis of benzannelated sultams by intramolecular Pd-catalyzed arylation of tertiary sulfonamides

    Directory of Open Access Journals (Sweden)

    Valentin A. Rassadin

    2017-09-01

    Full Text Available A new and efficient approach to five- and six-membered benzannelated sultams by intramolecular C-arylation of tertiary 1-(methoxycarbonylmethanesulfonamides under palladium catalysis is described. In case of the α-toluenesulfonamide derivative, an unexpected formation of a 2,3-diarylindole was observed under the same conditions.

  9. Synthesis of benzannelated sultams by intramolecular Pd-catalyzed arylation of tertiary sulfonamides.

    Science.gov (United States)

    Rassadin, Valentin A; Scholz, Mirko; Klochkova, Anastasiia A; de Meijere, Armin; Sokolov, Victor V

    2017-01-01

    A new and efficient approach to five- and six-membered benzannelated sultams by intramolecular C -arylation of tertiary 1-(methoxycarbonyl)methanesulfonamides under palladium catalysis is described. In case of the α-toluenesulfonamide derivative, an unexpected formation of a 2,3-diarylindole was observed under the same conditions.

  10. Intramolecular butenolide allene photocycloadditions and ensuing retro-ene reactions of some photoadducts

    NARCIS (Netherlands)

    Lutteke, G.; Kleinnijenhuis, R.A.; Jacobs, I.; Wrigstedt, P.J.; Correia, A.C.A.; Nieuwenhuizen, R.; Hue, B.T.B.; Goubitz, K.; Peschar, R.; van Maarseveen, J.H.; Hiemstra, H.

    2011-01-01

    This report describes intramolecular [2+2] photocycloadditions of several butenolides with an allenylmethyl substituent at the 5-position. These photosubstrates were prepared from 2-(silyloxy)furans through silver-mediated reactions with allenylmethyl bromides. Two cases were studied where the

  11. Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.

    Science.gov (United States)

    Peter, Clovis; Geoffroy, Philippe; Miesch, Michel

    2018-02-21

    Starting from a common polyfunctionalized bicyclo[3.2.1]octane-6,8-dione intermediate, a concise synthetic route to tricyclic cores found in quadrane, suberosane, cedrane and related sesquiterpenes was developed using a Morita-Baylis-Hillman intramolecular reaction as a key step.

  12. Synthesis of neplanocin A and its 3'-epimer via an intramolecular Baylis-Hillman reaction.

    Science.gov (United States)

    Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L L; Tam, Eric Kwok Wai

    2014-09-05

    The key cyclopentenyl intermediate 11b was synthesized in 4 steps from d-ribose in 41% overall yield via an efficient intramolecular Baylis-Hillman reaction. This novel key intermediate can be modified easily and transformed to neplanocin A (1a) and its 3'-epimer (1b).

  13. Recent applications of intramolecular Diels-Alder reactions to natural product synthesis

    DEFF Research Database (Denmark)

    Juhl, M.; Tanner, David Ackland

    2009-01-01

    This tutorial review presents some recent examples of intramolecular Diels-Alder (IMDA) reactions as key complexity-generating steps in the total synthesis of structurally intricate natural products. The opportunities afforded by transannular (TADA) versions of the IMDA reaction in complex molecule...

  14. Effect of intramolecular hydrogen bonding and electron donation on substituted anthrasemiquinone characteristics

    International Nuclear Information System (INIS)

    Pal, H.; Mukherjee, T.

    1994-01-01

    The acid-base and redox characteristics of the semiquinones of a number of hydroxy and amino-substituted anthraquinones have been investigated. Results are explained on the basis of electron-donating properties and intramolecular hydrogen bond forming capabilities of the substituents. (author). 4 refs., 1 tab., 1 fig

  15. 1 H NMR-Based Kinetic-Mechanistic Study of the Intramolecular ...

    African Journals Online (AJOL)

    A 1H NMR study of the acid-catalyzed, intramolecular trans-esterification between isomeric 2-exo-3-exo-dihydroxybornane monoacrylate esters has afforded insights into the reaction mechanism and permitted the determination of kinetic and thermodynamic parameters for the pseudo-first-order processes. KEYWORDS ...

  16. The first strand transfer during HIV-1 reverse transcription can occur either intramolecularly or intermolecularly

    NARCIS (Netherlands)

    van Wamel, J. L.; Berkhout, B.

    1998-01-01

    Reverse transcription is a complicated process that involves at least two cDNA transfer reactions to produce a full-length copy DNA of the retroviral RNA genome. Because one retrovirus particle contains two identical genomic RNA molecules, the transfers can occur in an intramolecular or

  17. Intramolecular Transannulation of Alkynyl Triazoles via Alkyne-Carbene Metathesis Step: Access to Fused Pyrroles

    Science.gov (United States)

    Shi, Yi; Gevorgyan, Vladimir

    2013-01-01

    An intramolecular Rh-catalyzed transannulation reaction of alkynyl triazoles has been developed. This method allows efficient construction of various 5,5-fused pyrroles, including tetrahydropyrrolo and spiro systems. The method demonstrates excellent functional group compatibility. A rhodium carbene-alkyne metathesis mechanism is proposed for this transformation. PMID:24093728

  18. On prediction of OH stretching frequencies in intramolecularly hydrogen bonded systems

    DEFF Research Database (Denmark)

    Hansen, Poul Erik; Spanget-Larsen, Jens

    2012-01-01

    OH stretching frequencies are investigated for a series of non-tautomerizing systems with intramolecular hydrogen bonds. Effective OH stretching wavenumbers are predicted by the application of empirical correlation procedures based on the results of B3LYP/6-31G(d) theoretical calculations in the ...

  19. Rationalizing Ring-Size Selectivity in Intramolecular Pd-Catalyzed Allylations of Resonance-Stabilized Carbanions

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Mader, Mary M.; Vitale, Maxime

    2003-01-01

    Computational methods were applied to the Pd-catalyzed intramolecular allylations of resonance-stabilized carbanions obtained from amide and ketone substrates, with the aim of rationalizing the endo- vs. exo-selectivity in the cyclizations. In addition, ester substrates were prepared and subjecte...

  20. Intramolecular Pnicogen Interactions in PHF(CH2)nPHF (n=26) Systems

    Czech Academy of Sciences Publication Activity Database

    Sanchez-Sanz, Goar; Alkorta, I.; Trujillo, Cristina; Elguero, J.

    2013-01-01

    Roč. 14, č. 8 (2013), s. 1656-1665 ISSN 1439-4235 Institutional support: RVO:61388963 Keywords : electron density shift * intramolecular interactions * ab initio calculations * pnicogens * electrostatic interactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.360, year: 2013

  1. Gaussian tunneling model of c-axis twist Josephson junctions

    International Nuclear Information System (INIS)

    Bille, A.; Klemm, R.A.; Scharnberg, K.

    2001-01-01

    We calculate the critical current density J c J ((var p hi) 0 ) for Josephson tunneling between identical high-temperature superconductors twisted an angle (var p hi) 0 about the c axis. Regardless of the shape of the two-dimensional Fermi surface and for very general tunneling matrix elements, an order parameter (OP) with general d-wave symmetry leads to J c J (π/4)=0. This general result is inconsistent with the data of Li et al. [Phys. Rev. Lett. 83, 4160 (1999)] on Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212), which showed J c J to be independent of (var p hi) 0 . If the momentum parallel to the barrier is conserved in the tunneling process, J c J should vary substantially with the twist angle (var p hi) 0 when the tight-binding Fermi surface appropriate for Bi2212 is taken into account, even if the OP is completely isotropic. We quantify the degree of momentum nonconservation necessary to render J c J ((var p hi) 0 ) constant within experimental error for a variety of pair states by interpolating between the coherent and incoherent limits using five specific models to describe the momentum dependence of the tunneling matrix element squared. From the data of Li et al., we conclude that the c-axis tunneling in Bi2212 must be very nearly incoherent, and that the OP must have a nonvanishing Fermi-surface average for T c . We further show that the apparent conventional sum-rule violation observed by Basov et al. [Science 283, 49 (1999)] can be consistent with such strongly incoherent c-axis tunneling.

  2. Study of Implosion of Twisted Nested Arrays at the Angara-5-1 Facility

    Science.gov (United States)

    Mitrofanov, K. N.; Zukakishvili, G. G.; Aleksandrov, V. V.; Grabovski, E. V.; Frolov, I. N.; Gribov, A. N.

    2018-01-01

    Results are presented from experimental studies of the implosion of twisted nested arrays in which the wires of the outer and inner arrays are twisted about the array axis in opposite directions (clockwise and counterclockwise). Experiments with twisted arrays were carried out at the Angara-5-1 facility at currents of up to 4 MA. The currents through the arrays were switched either simultaneously or the current pulse through the outer array was delayed by 10-15 ns with the help of an anode spark gap. It is shown that, in such arrays, the currents flow along the inclined wires and, accordingly, there are both the azimuthal and axial components of the discharge current. The process of plasma implosion in twisted arrays depends substantially on the value of the axial (longitudinal) magnetic field generated inside the array by the azimuthal currents. Two-dimensional simulations of the magnetic field in twisted nested arrays were performed in the ( r, z) geometry with allowance for the skin effect in the discharge electrodes. It is shown that, depending on the geometry of the discharge electrodes, different configurations of the magnetic field can be implemented inside twisted nested arrays. The calculated magnetic configurations are compared with the results of measurements of the magnetic field inside such arrays. It is shown that the configuration of the axial magnetic field inside a twisted nested array depends substantially on the distribution of the azimuthal currents between the inner and outer arrays.

  3. Twisting integrin receptors increases endothelin-1 gene expression in endothelial cells

    Science.gov (United States)

    Chen, J.; Fabry, B.; Schiffrin, E. L.; Wang, N.; Ingber, D. E. (Principal Investigator)

    2001-01-01

    A magnetic twisting stimulator was developed based on the previously published technique of magnetic twisting cytometry. Using ligand-coated ferromagnetic microbeads, this device can apply mechanical stresses with varying amplitudes, duration, frequencies, and waveforms to specific cell surface receptors. Biochemical and biological responses of the cells to the mechanical stimulation can be assayed. Twisting integrin receptors with RGD (Arg-Gly-Asp)-containing peptide-coated beads increased endothelin-1 (ET-1) gene expression by >100%. In contrast, twisting scavenger receptors with acetylated low-density lipoprotein-coated beads or twisting HLA antigen with anti-HLA antibody-coated beads did not lead to alterations in ET-1 gene expression. In situ hybridization showed that the increase in ET-1 mRNA was localized in the cells that were stressed with the RGD-coated beads. Blocking stretch-activated ion channels with gadolinium, chelating Ca2+ with EGTA, or inhibiting tyrosine phosphorylation with genistein abolished twist-induced ET-1 mRNA elevation. Abolishing cytoskeletal tension with an inhibitor of the myosin ATPase, with an inhibitor of myosin light chain kinase, or with an actin microfilament disrupter blocked twisted-induced increases in ET-1 expression. Our results are consistent with the hypothesis that the molecular structural linkage of integrin-cytoskeleton is an important pathway for stress-induced ET-1 gene expression.

  4. Continuous Static Gait with Twisting Trunk of a Metamorphic Quadruped Robot

    Directory of Open Access Journals (Sweden)

    C. Zhang

    2018-01-01

    Full Text Available The natural quadrupeds, such as geckos and lizards, often twist their trunks when moving. Conventional quadruped robots cannot perform the same motion due to equipping with a trunk which is a rigid body or at most consists of two blocks connected by passive joints. This paper proposes a metamorphic quadruped robot with a reconfigurable trunk which can implement active trunk motions, called MetaRobot I. The robot can imitate the natural quadrupeds to execute motion of trunk twisting. Benefiting from the twisting trunk, the stride length of this quadruped is increased comparing to that of conventional quadruped robots.In this paper a continuous static gait benefited from the twisting trunk performing the increased stride length is introduced. After that, the increased stride length relative to the trunk twisting will be analysed mathematically. Other points impacting the implementation of the increased stride length in the gait are investigated such as the upper limit of the stride length and the kinematic margin. The increased stride length in the gait will lead the increase of locomotion speed comparing with conventional quadruped robots, giving the extent that natural quadrupeds twisting their trunks when moving. The simulation and an experiment on the prototype are then carried out to illustrate the benefits on the stride length and locomotion speed brought by the twisting trunk to the quadruped robot.

  5. Sausage MHD Waves in Incompressible Flux Tubes with Twisted Magnetic Fields

    Science.gov (United States)

    Erdélyi, Robert; Fedun, Viktor

    2006-10-01

    Twisted magnetic flux tubes are of considerable interest because of their natural occurrence from the Sun’s interior, throughout the solar atmosphere and interplanetary space up to a wide range of applicabilities to astrophysical plasmas. The aim of the present work is to obtain analytically a dispersion equation of linear wave propagation in twisted incompressible cylindrical magnetic waveguides and find appropriate solutions for surface, body and pseudobody sausage modes (i.e. m = 0) of a twisted magnetic flux tube embedded in an incompressible but also magnetically twisted plasma. Asymptotic solutions are derived in long- and short-wavelength approximations. General solutions of the dispersion equation for intermediate wavelengths are obtained numerically. We found, that in case of a constant, but non-zero azimuthal component of the equilibrium magnetic field outside the flux tube the index ν of Bessel functions in the dispersion relation is not integer any more in general. This gives rise to a rich mode-structure of degenerated magneto-acoustic waves in solar flux tubes. In a particular case of a uniform magnetic twist the total pressure is found to be constant across the boundary of the flux tube. Finally, the effect of magnetic twist on oscillation periods is estimated under solar atmospheric conditions. It was found that a magnetic twist will increase, in general, the periods of waves approximately by a few percent when compared to their untwisted counterparts.

  6. A Computational Study of BVI Noise Reduction Using Active Twist Control

    Science.gov (United States)

    Fogarty, David E.; Wilbur, Matthew L.; Sekula, Martin K.

    2010-01-01

    The results of a computational study examining the effects of active-twist control on blade-vortex interaction (BVI) noise using the Apache Active Twist Rotor are presented. The primary goal of this activity is to reduce BVI noise during a low-speed descent flight condition using active-twist control. Rotor aeroelastic behavior was modeled using the Comprehensive Analytical Model of Rotorcraft Aerodynamics and Dynamics code and the rotor noise was predicted using the acoustics code PSU-WOPWOP. The accuracy of the analysis was validated through comparisons with experimental acoustic data for the first generation Active Twist Rotor at an advance ratio of mu=0.14. The application of active-twist to the main rotor blade system consisted of harmonic actuation frequencies ranging from 2P to 5P, control phase angles from 0' to 360 , and tip-twist amplitudes ranging from 0.5 to 4.0 . The acoustic analysis was conducted for a single low-speed flight condition of advance ratio =0.14 and shaft angle-of-attack, c^=+6 , with BVI noise levels predicted on a flat plane of observers located 1.1 rotor diameters beneath the rotor. The results indicated reductions of up to 11dB in BVI noise using 1.25 tip-twist amplitude with negligible effects on 4P vertical hub shear.

  7. Hydrodynamic characteristics of X-Twisted rudder for large container carriers

    Directory of Open Access Journals (Sweden)

    Kyoungsoo Ahn

    2012-09-01

    Full Text Available This paper shows the numerical and experimental results about the hydrodynamic characteristics of X-Twisted rudders having continuous twist of the leading edge along the span. All the results were compared with those of the semi-balanced rudder. Calculation through the Reynolds-Averaged Navier-Stokes Equation (RANSE code with propeller sliding meshes shows large inflow angle and fast inflow velocity in the vicinity of ±0.7 R from the shaft center, so it may cause cavitation. Also, X-Twisted rudder has relatively small inflow angles along the rudder span compared with semi-balanced rudder. For the performance validation, rudders for two large container carriers were designed and tested. Cavitation tests at the medium sized cavitation tunnel with respect to the rudder types and twisted angles showed the effectiveness of twist on cavitation and the tendency according to the twist. And the resistance, self-propulsion and manoeuvring tests were also carried out at the towing tank. As a result, in the case of X-Twisted rudder, ship speed was improved with good manoeuvring performance. Especially, it was found out that manoeuvring performance between port and starboard was well balanced compared with semi-balanced rudders.

  8. Correlation Between Expression of Twist and Podoplanin in Ductal Breast Carcinoma.

    Science.gov (United States)

    Grzegrzolka, Jedrzej; Wojtyra, Patrycja; Biala, Martyna; Piotrowska, Aleksandra; Gomulkiewicz, Agnieszka; Rys, Janusz; Podhorska-Okolow, Marzenna; Dziegiel, Piotr

    2017-10-01

    As a result of activation of transcription factors engaged in epithelial-mesenchymal transition (EMT), such as Twist, inhibition of epithelial markers and an increased expression of mesenchymal markers are observed. One of the specific markers of cancer-associated fibroblasts is podoplanin (PDPN) - a mucin-type membrane glycoprotein. The aim of this work was to study the localisation and intensity of expression of Twist and PDPN on the mRNA and protein level in cases of invasive ductal breast carcinoma (IDC), and its association with patients' clinico-pathological data. The study included archival material in a form of 80 paraffin IDC blocks and 11 IDC fragments frozen in liquid nitrogen. Immunohistochemical expression of Twist and PDPN was evaluated using light microscope and semiquantitative scale for evaluation of nuclear expression or immunoreactive scale (IRS) for evaluation of cytoplasmic expression. Material was isolated from frozen IDC fragments using laser micro-dissection (from cancer and stromal cells, separately) and was used to perform real-time PCR. Twist expression was higher in stromal cells in comparison to cancer cells. Analysis of patients' survival rate showed, that higher expression of Twist in cancer cells was associated with shorter overall survival time and shorter event-free survival time. The expression of PDPN was also higher in stromal cells in comparison with cancer cells. In addition, positive correlation was observed between expression of Twist and PDPN in stromal cells of IDC (r=0.267; p<0.05). The relationship between the higher expression of Twist in both cancer and stromal cells and shorter patients' survival indicates Twist as a potential useful prognostic marker in IDC. Positive correlation of Twist and PDPN expression may indicate the role of PDPN in EMT in IDC. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

  9. TWIST1 a new determinant of epithelial to mesenchymal transition in EGFR mutated lung adenocarcinoma.

    Directory of Open Access Journals (Sweden)

    Karine Pallier

    Full Text Available Metastasis is a multistep process and the main cause of mortality in lung cancer patients. We previously showed that EGFR mutations were associated with a copy number gain at a locus encompassing the TWIST1 gene on chromosome 7. TWIST1 is a highly conserved developmental gene involved in embryogenesis that may be reactivated in cancers promoting both malignant conversion and cancer progression through an epithelial to mesenchymal transition (EMT. The aim of this study was to investigate the possible implication of TWIST1 reactivation on the acquisition of a mesenchymal phenotype in EGFR mutated lung cancer. We studied a series of consecutive lung adenocarcinoma from Caucasian non-smokers for which surgical frozen samples were available (n = 33 and showed that TWIST1 expression was linked to EGFR mutations (P<0.001, to low CDH1 expression (P<0.05 and low disease free survival (P = 0.044. To validate that TWIST1 is a driver of EMT in EGFR mutated lung cancer, we used five human lung cancer cell lines and demonstrated that EMT and the associated cell mobility were dependent upon TWIST1 expression in cells with EGFR mutation. Moreover a decrease of EGFR pathway stimulation through EGF retrieval or an inhibition of TWIST1 expression by small RNA technology reversed the phenomenon. Collectively, our in vivo and in vitro findings support that TWIST1 collaborates with the EGF pathway in promoting EMT in EGFR mutated lung adenocarcinoma and that large series of EGFR mutated lung cancer patients are needed to further define the prognostic role of TWIST1 reactivation in this subgroup.

  10. Twist1 transcriptional targets in the developing atrio-ventricular canal of the mouse.

    Directory of Open Access Journals (Sweden)

    Pavle Vrljicak

    Full Text Available Malformations of the cardiovascular system are the most common type of birth defect in humans, frequently affecting the formation of valves and septa. During heart valve and septa formation, cells from the atrio-ventricular canal (AVC and outflow tract (OFT regions of the heart undergo an epithelial-to-mesenchymal transformation (EMT and invade the underlying extracellular matrix to give rise to endocardial cushions. Subsequent maturation of newly formed mesenchyme cells leads to thin stress-resistant leaflets. TWIST1 is a basic helix-loop-helix transcription factor expressed in newly formed mesenchyme cells of the AVC and OFT that has been shown to play roles in cell survival, cell proliferation and differentiation. However, the downstream targets of TWIST1 during heart valve formation remain unclear. To identify genes important for heart valve development downstream of TWIST1, we performed global gene expression profiling of AVC, OFT, atria and ventricles of the embryonic day 10.5 mouse heart by tag-sequencing (Tag-seq. Using this resource we identified a novel set of 939 genes, including 123 regulators of transcription, enriched in the valve forming regions of the heart. We compared these genes to a Tag-seq library from the Twist1 null developing valves revealing significant gene expression changes. These changes were consistent with a role of TWIST1 in controlling differentiation of mesenchymal cells following their transformation from endothelium in the mouse. To study the role of TWIST1 at the DNA level we performed chromatin immunoprecipitation and identified novel direct targets of TWIST1 in the developing heart valves. Our findings support a role for TWIST1 in the differentiation of AVC mesenchyme post-EMT in the mouse, and suggest that TWIST1 can exert its function by direct DNA binding to activate valve specific gene expression.

  11. Twist1 transcriptional targets in the developing atrio-ventricular canal of the mouse.

    Science.gov (United States)

    Vrljicak, Pavle; Cullum, Rebecca; Xu, Eric; Chang, Alex C Y; Wederell, Elizabeth D; Bilenky, Mikhail; Jones, Steven J M; Marra, Marco A; Karsan, Aly; Hoodless, Pamela A

    2012-01-01

    Malformations of the cardiovascular system are the most common type of birth defect in humans, frequently affecting the formation of valves and septa. During heart valve and septa formation, cells from the atrio-ventricular canal (AVC) and outflow tract (OFT) regions of the heart undergo an epithelial-to-mesenchymal transformation (EMT) and invade the underlying extracellular matrix to give rise to endocardial cushions. Subsequent maturation of newly formed mesenchyme cells leads to thin stress-resistant leaflets. TWIST1 is a basic helix-loop-helix transcription factor expressed in newly formed mesenchyme cells of the AVC and OFT that has been shown to play roles in cell survival, cell proliferation and differentiation. However, the downstream targets of TWIST1 during heart valve formation remain unclear. To identify genes important for heart valve development downstream of TWIST1, we performed global gene expression profiling of AVC, OFT, atria and ventricles of the embryonic day 10.5 mouse heart by tag-sequencing (Tag-seq). Using this resource we identified a novel set of 939 genes, including 123 regulators of transcription, enriched in the valve forming regions of the heart. We compared these genes to a Tag-seq library from the Twist1 null developing valves revealing significant gene expression changes. These changes were consistent with a role of TWIST1 in controlling differentiation of mesenchymal cells following their transformation from endothelium in the mouse. To study the role of TWIST1 at the DNA level we performed chromatin immunoprecipitation and identified novel direct targets of TWIST1 in the developing heart valves. Our findings support a role for TWIST1 in the differentiation of AVC mesenchyme post-EMT in the mouse, and suggest that TWIST1 can exert its function by direct DNA binding to activate valve specific gene expression.

  12. Finite-Time Synchronization for Uncertain Master-Slave Chaotic System via Adaptive Super Twisting Algorithm

    Directory of Open Access Journals (Sweden)

    P. Siricharuanun

    2016-01-01

    Full Text Available A second-order sliding mode control for chaotic synchronization with bounded disturbance is studied. A robust finite-time controller is designed based on super twisting algorithm which is a popular second-order sliding mode control technique. The proposed controller is designed by combining an adaptive law with super twisting algorithm. New results based on adaptive super twisting control for the synchronization of identical Qi three-dimensional four-wing chaotic system are presented. The finite-time convergence of synchronization is ensured by using Lyapunov stability theory. The simulations results show the usefulness of the developed control method.

  13. On the twists of interplanetary magnetic flux ropes observed at 1 AU

    OpenAIRE

    Wang, Yuming; Zhuang, Bin; Hu, Qiang; Liu, Rui; Shen, Chenglong; Chi, Yutian

    2016-01-01

    Magnetic flux ropes (MFRs) are one kind of fundamental structures in the solar physics, and involved in various eruption phenomena. Twist, characterizing how the magnetic field lines wind around a main axis, is an intrinsic property of MFRs, closely related to the magnetic free energy and stableness. So far it is unclear how much amount of twist is carried by MFRs in the solar atmosphere and in heliosphere and what role the twist played in the eruptions of MFRs. Contrasting to the solar MFRs,...

  14. Fiber-Optic Sensors for Measurements of Torsion, Twist and Rotation: A Review †

    Science.gov (United States)

    Budinski, Vedran; Donlagic, Denis

    2017-01-01

    Optical measurement of mechanical parameters is gaining significant commercial interest in different industry sectors. Torsion, twist and rotation are among the very frequently measured mechanical parameters. Recently, twist/torsion/rotation sensors have become a topic of intense fiber-optic sensor research. Various sensing concepts have been reported. Many of those have different properties and performances, and many of them still need to be proven in out-of-the laboratory use. This paper provides an overview of basic approaches and a review of current state-of-the-art in fiber optic sensors for measurements of torsion, twist and/or rotation. PMID:28241510

  15. Investigation of Propagation Characteristics of Twisted Hollow Waveguides for Particle Accelerator Applications

    Energy Technology Data Exchange (ETDEWEB)

    Wilson, Joshua Lee [Univ. of Tennessee, Knoxville, TN (United States)

    2008-12-01

    A new class of accelerating structures employing a uniformly twisted waveguide is investigated. Twisted waveguides of various cross-sectional geometries are considered and analyzed. It is shown that such a twisted waveguide can support waves that travel at a speed slower than the speed of light c. The slow-wave properties of twisted structures are of interest because these slow-wave electromagnetic fields can be used in applications such as electron traveling wave tubes and linear particle accelerators. Since there is no exact closed form solution for the electromagnetic fields within a twisted waveguide or cavity, several previously proposed approximate methods are examined, and more effcient approaches are developed. It is found that the existing perturbation theory methods yield adequate results for slowly twisted structures; however, our efforts here are geared toward analyzing rapidly twisted structures using modifed finite difference methods specially suited for twisted structures. Although the method can handle general twisted structures, three particular cross sections are selected as representative cases for careful analysis. First, a slowly twisted rectangular cavity is analyzed as a reference case. This is because its shape is simple and perturbation theory already gives a good approximate solution for such slow twists rates. Secondly, a symmetrically notched circular cross section is investigated, since its longitudinal cross section is comparable to the well known disk-loaded cavity (used in many practical accelerator designs, including SLAC). Finally, a "dumbbell" shaped cross section is analyzed because of its similarity to the well-known TESLA-type accelerating cavity, which is of great importance because of its wide acceptance as a superconducting cavity. To validate the results of the developed theory and our extensive simulations, the newly developed numerical models are compared to commercial codes. Also, several prototypes are developed

  16. Orbital angular momentum modes by twisting of a hollow core antiresonant fiber

    DEFF Research Database (Denmark)

    Stefani, Alessio; Kuhlmey, Boris T.; Fleming, Simon

    2017-01-01

    Generation and use of orbital angular momentum (OAM) of light is finding more and more interest in a wide variety of fields of photonics: communications, optical trapping, quantum optics, and many more [1]. In the investigation of such behavior, twisting of photonic crystal fibers shows interesting...... physical phenomena [2]. We previously reported the ability to create helical hollow fibers by mechanically twisting a tube lattice fiber made of polyurethane, the twist of which can be adjusted and reversed [3]. In this work we report how such deformation induces a mode transformation to an OAM mode...

  17. Analysis of Twisting of Cellulose Nanofibrils in Atomistic Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Paavilainen, S.; Rog, T.; Vattulainen, I.

    2011-01-01

    We use atomistic molecular dynamics simulations to study the crystal structure of cellulose nanofibrils, whose sizes are comparable with the crystalline parts in commercial nanocellulose. The simulations show twisting, whose rate of relaxation is strongly temperature dependent. Meanwhile, no sign......We use atomistic molecular dynamics simulations to study the crystal structure of cellulose nanofibrils, whose sizes are comparable with the crystalline parts in commercial nanocellulose. The simulations show twisting, whose rate of relaxation is strongly temperature dependent. Meanwhile......, no significant bending or stretching of nanocellulose is discovered. Considerations of atomic-scale interaction patterns bring about that the twisting arises from hydrogen bonding within and between the chains in a fibril....

  18. Excited-state intramolecular proton transfer (ESIPT) emission of hydroxyphenylimidazopyridine: computational study on enhanced and polymorph-dependent luminescence in the solid state.

    Science.gov (United States)

    Shigemitsu, Yasuhiro; Mutai, Toshiki; Houjou, Hirohiko; Araki, Koji

    2012-12-13

    Although 2-(2'-hydroxyphenyl)imidazo[1,2-a]pyridine (HPIP) is only weakly fluorescent in solution, two of its crystal polymorphs in which molecules are packed as stacked pairs and in nearly coplanar conformation exhibit bright excited-state intramolecular proton transfer (ESIPT) luminescence of different colors (blue-green and yellow). In order to clarify the enhanced and polymorph-dependent luminescence of HPIP in the solid state, the potential energy surfaces (PESs) of HPIP in the ground (S(0)) and excited (S(1)) states were analyzed computationally by means of ab initio quantum chemical calculations. The calculations reproduced the experimental photophysical properties of HPIP in solution, indicating that the coplanar keto form in the first excited (S(1)) state smoothly approaches the S(0)/S(1) conical intersection (CI) coupled with the twisting motion of the central C-C bond. The S(1)-S(0) energy gap of the keto form became sufficiently small at the torsion angle of 60°, and the corresponding CI point was found at 90°. Since a minor role of the proximity effect was indicated experimentally and theoretically, the observed emission enhancement of the HPIP crystals was ascribed to the following two factors: (1) suppression of efficient radiationless decay via the CI by fixing the torsion angle at the nearly coplanar conformation of the molecules in the crystals and (2) inhibition of excimer formation resulting from the lower excited level of the S(1)-keto state compared to the S(0)-S(1) excitation energy in the enol form. However, the fluorescence color difference between the two crystal polymorphs having slightly different torsion angles was not successfully reproduced, even at the MS-CASPT2 level of theory.

  19. Ultrafiltration performance of tubular membrane modules fitted with turbulent promoter. Twisted tape and static mixer; Ranryu sokushintai wo sobishita kangata gengai roka tokusei. Twist tape to static mixer

    Energy Technology Data Exchange (ETDEWEB)

    Sugimoto, T.; Kobayashi, H.; Ishikawa, T.; Kamiya, T. [Kogakuin University, Tokyo (Japan); Niitsu, T.; Inoue, H. [Soka University, Tokyo (Japan)

    1996-01-20

    The permeate flux of a membrane module fitted with a twisted tape or static mixer was 4-7.7 times higher than that of a membrane module without any turbulent promoter. Use of a twisted tape or static mixer shortened separation time. The energy consumption per unit mass of permeate due to pressure drop in the membrane module with twisted tape or static mixer was 2-3 times higher than that in the membrane module without turbulent promoter. The permeate flux solved by introducing the value of mass transfer coefficient into the osmotic pressure model coincided well with experimental results, where the mass transfer coefficient was obtained by simulating experimental formula of heat transfer in a pipe fitted with a twisted tape or static mixer into a mass transfer correlation by the heat transfer-mass transfer analogy. The mass transfer coefficient in a membrane module with twisted tape or static mixer increased to about 4 to 8 times that of a membrane module without turbulent promoter. 7 refs., 10 figs.

  20. Charge-transport simulations in organic semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    May, Falk

    2012-07-06

    In this thesis we have extended the methods for microscopic charge-transport simulations for organic semiconductors, where weak intermolecular interactions lead to spatially localized charge carriers, and the charge transport occurs as an activated hopping process between diabatic states. In addition to weak electronic couplings between these states, different electrostatic environments in the organic material lead to a broadening of the density of states for the charge energies which limits carrier mobilities. The contributions to the method development include (i) the derivation of a bimolecular charge-transfer rate, (ii) the efficient evaluation of intermolecular (outer-sphere) reorganization energies, (iii) the investigation of effects of conformational disorder on intramolecular reorganization energies or internal site energies and (iv) the inclusion of self-consistent polarization interactions for calculation of charge energies. These methods were applied to study charge transport in amorphous phases of small molecules used in the emission layer of organic light emitting diodes (OLED). When bulky substituents are attached to an aromatic core in order to adjust energy levels or prevent crystallization, a small amount of delocalization of the frontier orbital to the substituents can increase electronic couplings between neighboring molecules. This leads to improved charge-transfer rates and, hence, larger charge-mobility. We therefore suggest using the mesomeric effect (as opposed to the inductive effect) when attaching substituents to aromatic cores, which is necessary for example in deep blue OLEDs, where the energy levels of a host molecule have to be adjusted to those of the emitter. Furthermore, the energy landscape for charges in an amorphous phase cannot be predicted by mesoscopic models because they approximate the realistic morphology by a lattice and represent molecular charge distributions in a multipole expansion. The microscopic approach shows that

  1. CHARGE Association

    Directory of Open Access Journals (Sweden)

    Semanti Chakraborty

    2012-01-01

    Full Text Available We present here a case of 17-year-old boy from Kolkata presenting with obesity, bilateral gynecomastia, mental retardation, and hypogonadotrophic hypogonadism. The patient weighed 70 kg and was of 153 cm height. Facial asymmetry (unilateral facial palsy, gynecomastia, decreased pubic and axillary hair, small penis, decreased right testicular volume, non-palpable left testis, and right-sided congenital inguinal hernia was present. The patient also had disc coloboma, convergent squint, microcornea, microphthalmia, pseudohypertelorism, low set ears, short neck, and choanalatresia. He had h/o VSD repaired with patch. Laboratory examination revealed haemoglobin 9.9 mg/dl, urea 24 mg/dl, creatinine 0.68 mg/dl. IGF1 77.80 ng/ml (decreased for age, GH <0.05 ng/ml, testosterone 0.25 ng/ml, FSH-0.95 ΅IU/ml, LH 0.60 ΅IU/ml. ACTH, 8:00 A.M cortisol, FT3, FT4, TSH, estradiol, DHEA-S, lipid profile, and LFT was within normal limits. Prolactin was elevated at 38.50 ng/ml. The patient′s karyotype was 46XY. Echocardiography revealed ventricularseptal defect closed with patch, grade 1 aortic regurgitation, and ejection fraction 67%. Ultrasound testis showed small right testis within scrotal sac and undescended left testis within left inguinal canal. CT scan paranasal sinuses revealed choanalatresia and deviation of nasal septum to the right. Sonomammography revealed bilateral proliferation of fibroglandular elements predominantly in subareoalar region of breasts. MRI of brain and pituitary region revealed markedly atrophic pituitary gland parenchyma with preserved infundibulum and hypothalamus and widened suprasellar cistern. The CHARGE association is an increasingly recognized non-random pattern of congenital anomalies comprising of coloboma, heart defect, choanal atresia, retarded growth and development, genital hypoplasia, ear abnormalities, and/or deafness. [1] These anomalies have a higher probability of occurring together. In this report, we have

  2. Soft-mode of charged chiral fibrous viruses (fd).

    Science.gov (United States)

    Kang, Kyongok

    2016-08-14

    The frictional forces in suspensions vary depending on the size, shape, and the surface of the particles, which are either charged or neutral. For anisotropic particles with no spatial gradient in the order parameter under external parameters, they exhibit either a continuous phase transition or "freezing" of the order parameter fluctuation. They are known as the collective soft-mode, which has a finite cutoff dispersion where the relaxation time diverges. From microscopic dynamics of charged chiral fd-viruses, the soft-mode is revealed with a rotation restoring "twist", obtained from both polarized (VV) and depolarized (VH) small angle dynamic light scattering. Here, I have found the minimum spatial coherence length at a lower I-N binodal concentration, which is due to the reverse of electrostatic repulsive forces with an increase in the concentration of charged chiral rods.

  3. Do resonance-assisted intramolecular halogen bonds exist without a charge transfer and a sigma-hole?

    Czech Academy of Sciences Publication Activity Database

    Pandiyan, B. V.; Deepa, Palanisamy; Kolandaivel, P.

    2015-01-01

    Roč. 17, č. 41 (2015), s. 27496-27508 ISSN 1463-9076 R&D Projects: GA ČR GBP208/12/G016 Institutional support: RVO:61388963 Keywords : ab initio * hydrogen bonds * noncovalent interactions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.449, year: 2015

  4. D-π-A Compounds with Tunable Intramolecular Charge Transfer Achieved by Incorporation of Butenolide Nitriles as Acceptor Moieties

    DEFF Research Database (Denmark)

    Moreno-Yruela, Carlos; Garín, Javier; Orduna, Jesús

    2015-01-01

    Chromophores where a polyenic spacer separates a 4H-pyranylidene or benzothiazolylidene donor and three different butenolide nitriles have been synthesized and characterized. The role of 2(5H)-furanones as acceptor units on the polarization and the second-order nonlinear (NLO) properties has been...

  5. Gauged supergravities from twisted doubled tori and non-geometric string backgrounds

    International Nuclear Information System (INIS)

    Dall'Agata, Gianguido; Prezas, Nikolaos; Samtleben, Henning; Trigiante, Mario

    2008-01-01

    We propose a universal geometric formulation of gauged supergravity in terms of a twisted doubled torus. We focus on string theory (M-theory) reductions with generalized Scherk-Schwarz twists residing in the O(n,n) (E 7(7) ) duality group. The set of doubled geometric fluxes, associated with the duality twists and identified naturally with the embedding tensor of gauged supergravity, captures all known fluxes, i.e. physical form fluxes, ordinary geometric fluxes, as well as their non-geometric counterparts. Furthermore, we propose a prescription for obtaining the effective geometry embedded in the string theory twisted doubled torus or in the M-theory megatorus and apply it for several models of geometric and non-geometric flux compactifications

  6. Specific heat of twisted bilayer graphene: Engineering phonons by atomic plane rotations

    Energy Technology Data Exchange (ETDEWEB)

    Nika, Denis L. [E. Pokatilov Laboratory of Physics and Engineering of Nanomaterials, Department of Physics and Engineering, Moldova State University, Chisinau MD-2009, Republic of Moldova (Moldova, Republic of); Nano-Device Laboratory, Department of Electrical Engineering and Materials Science and Engineering Program, Bourns College of Engineering, University of California—Riverside, Riverside, California, 92521 (United States); Cocemasov, Alexandr I. [E. Pokatilov Laboratory of Physics and Engineering of Nanomaterials, Department of Physics and Engineering, Moldova State University, Chisinau MD-2009, Republic of Moldova (Moldova, Republic of); Balandin, Alexander A., E-mail: balandin@ee.ucr.edu [Nano-Device Laboratory, Department of Electrical Engineering and Materials Science and Engineering Program, Bourns College of Engineering, University of California—Riverside, Riverside, California, 92521 (United States)

    2014-07-21

    We have studied the phonon specific heat in single-layer, bilayer, and twisted bilayer graphene. The calculations were performed using the Born-von Karman model of lattice dynamics for intralayer atomic interactions and spherically symmetric interatomic potential for interlayer interactions. We found that at temperature T < 15 K, specific heat varies with temperature as T{sup n}, where n = 1 for graphene, n = 1.6 for bilayer graphene, and n = 1.3 for the twisted bilayer graphene. The phonon specific heat reveals an intriguing dependence on the twist angle in bilayer graphene, which is particularly pronounced at low temperature. The results suggest a possibility of phonon engineering of thermal properties of layered materials by twisting the atomic planes.

  7. Probing the interlayer coupling of twisted bilayer MoS2 using photoluminescence spectroscopy.

    Science.gov (United States)

    Huang, Shengxi; Ling, Xi; Liang, Liangbo; Kong, Jing; Terrones, Humberto; Meunier, Vincent; Dresselhaus, Mildred S

    2014-10-08

    Two-dimensional molybdenum disulfide (MoS2) is a promising material for optoelectronic devices due to its strong photoluminescence emission. In this work, the photoluminescence of twisted bilayer MoS2 is investigated, revealing a tunability of the interlayer coupling of bilayer MoS2. It is found that the photoluminescence intensity ratio of the trion and exciton reaches its maximum value for the twisted angle 0° or 60°, while for the twisted angle 30° or 90° the situation is the opposite. This is mainly attributed to the change of the trion binding energy. The first-principles density functional theory analysis further confirms the change of the interlayer coupling with the twisted angle, which interprets our experimental results.

  8. Two-electron Oxidation of a Twisted Non Anti-aromatic 40π ...

    Indian Academy of Sciences (India)

    electron Oxidation of a Twisted Non Anti-aromatic 40π Expanded Isophlorin. PRACHI GUPTA SANTOSH P PANCHAL VENKATARAMANARAO G ANAND. Rapid Communication Volume 128 Issue 11 November 2016 pp 1703-1707 ...

  9. Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

    Energy Technology Data Exchange (ETDEWEB)

    Meljanac, Daniel [Ruder Boskovic Institute, Division of Materials Physics, Zagreb (Croatia); Meljanac, Stjepan; Pikutic, Danijel [Ruder Boskovic Institute, Division of Theoretical Physics, Zagreb (Croatia)

    2017-12-15

    Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincare-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ-Minkowski spaces and (iii) κ-Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed. (orig.)

  10. Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

    International Nuclear Information System (INIS)

    Meljanac, Daniel; Meljanac, Stjepan; Pikutic, Danijel

    2017-01-01

    Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincare-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ-Minkowski spaces and (iii) κ-Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed. (orig.)

  11. Unconfined twist : a simple method to prepare ultrafine grained metallic materials.

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Y. (Yonghao); Liao, Xiaozhou; Zhu, Y. T. (Yuntian Theodore)

    2004-01-01

    A new simple method - unconfined twist was employed to prepare ultrafine grained (UFG) Fe,wire. A coarse grained (CG) Fe wire with a diameter of 0.85 mm was fixed at one end, and twisted at the other end. After maximum twist before fracture, in the cross-sectional plane, concentrically deformed layers with a width of several micrometers formed surrounding the center axis of the wire. The near-surface deformed layers consist of lamella grains with a width in submicrometer range. In the longitudinal plane, deformed bands (with a width of several micrometers) formed uniformly, which were composed of lamella crystallites (with a width in submicrometer range). The tensile yield strength and ultimate strength of the twisted Fe wire are increased by about 150% and 100% compared with the values of its CG counterpart.

  12. Innovation of Methods for Measurement and Modelling of Twisted Pair Parameters

    Directory of Open Access Journals (Sweden)

    Lukas Cepa

    2011-01-01

    Full Text Available The goal of this paper is to optimize a measurement methodology for the most accurate broadband modelling of characteristic impedance and other parameters for twisted pairs. Measured values and theirs comparison is presented in this article. Automated measurement facility was implemented at the Department of telecommunication of Faculty of electrical engineering of Czech technical university in Prague. Measurement facility contains RF switches allowing measurements up to 300 MHz or 1GHz. Measured twisted pair’s parameters can be obtained by measurement but for purposes of fundamental characteristics modelling is useful to define functions that model the properties of the twisted pair. Its primary and secondary parameters depend mostly on the frequency. For twisted pair deployment, we are interested in a frequency band range from 1 MHz to 100 MHz.

  13. κ-Minkowski spacetime as the result of Jordanian twist deformation

    International Nuclear Information System (INIS)

    Borowiec, A.; Pachol, A.

    2009-01-01

    Two one-parameter families of twists providing κ-Minkowski * product deformed spacetime are considered: Abelian and Jordanian. We compare the derivation of quantum Minkowski space from two perspectives. The first one is the Hopf module algebra point of view, which is strictly related with Drinfeld's twisting tensor technique. The other one relies on an appropriate extension of ''deformed realizations'' of nondeformed Lorentz algebra by the quantum Minkowski algebra. This extension turns out to be de Sitter Lie algebra. We show the way both approaches are related. The second path allows us to calculate deformed dispersion relations for toy models ensuing from different twist parameters. In the Abelian case, one recovers κ-Poincare dispersion relations having numerous applications in doubly special relativity. Jordanian twists provide a new type of dispersion relations which in the minimal case (related to Weyl-Poincare algebra) takes an energy-dependent linear mass deformation form.

  14. Twist-Bend Coupling and the Torsional Response of Double-Stranded DNA

    Science.gov (United States)

    Nomidis, Stefanos K.; Kriegel, Franziska; Vanderlinden, Willem; Lipfert, Jan; Carlon, Enrico

    2017-05-01

    Recent magnetic tweezers experiments have reported systematic deviations of the twist response of double-stranded DNA from the predictions of the twistable wormlike chain model. Here we show, by means of analytical results and computer simulations, that these discrepancies can be resolved if a coupling between twist and bend is introduced. We obtain an estimate of 40 ±10 nm for the twist-bend coupling constant. Our simulations are in good agreement with high-resolution, magnetic-tweezers torque data. Although the existence of twist-bend coupling was predicted long ago [J. Marko and E. Siggia, Macromolecules 27, 981 (1994), 10.1021/ma00082a015], its effects on the mechanical properties of DNA have been so far largely unexplored. We expect that this coupling plays an important role in several aspects of DNA statics and dynamics.

  15. Tantsuõpetajate twist ja twin Taanis / Anu Sööt

    Index Scriptorium Estoniae

    Sööt, Anu, 1957-

    2015-01-01

    Taanis toimunud rahvusvahelisest tantsuhariduse kongressist, mille teema oli sel aastal „Twist ja Twin. Exploring Identities in Dance” („Pöörlemine ja ühendumine. Laiendades tantsu identiteeti”).

  16. Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries

    Science.gov (United States)

    Meljanac, Daniel; Meljanac, Stjepan; Pikutić, Danijel

    2017-12-01

    Families of vector-like deformed relativistic quantum phase spaces and corresponding realizations are analyzed. A method for a general construction of the star product is presented. The corresponding twist, expressed in terms of phase space coordinates, in the Hopf algebroid sense is presented. General linear realizations are considered and corresponding twists, in terms of momenta and Poincaré-Weyl generators or gl(n) generators are constructed and R-matrix is discussed. A classification of linear realizations leading to vector-like deformed phase spaces is given. There are three types of spaces: (i) commutative spaces, (ii) κ -Minkowski spaces and (iii) κ -Snyder spaces. The corresponding star products are (i) associative and commutative (but non-local), (ii) associative and non-commutative and (iii) non-associative and non-commutative, respectively. Twisted symmetry algebras are considered. Transposed twists and left-right dual algebras are presented. Finally, some physical applications are discussed.

  17. Dynamics and control of twisting bi-stable structures

    Science.gov (United States)

    Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

    2018-02-01

    Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states

  18. On the twists of interplanetary magnetic flux ropes observed at 1 AU

    Science.gov (United States)

    Wang, Yuming; Zhuang, Bin; Hu, Qiang; Liu, Rui; Shen, Chenglong; Chi, Yutian

    2016-10-01

    Magnetic flux ropes (MFRs) are one kind of fundamental structures in the solar/space physics and involved in various eruption phenomena. Twist, characterizing how the magnetic field lines wind around a main axis, is an intrinsic property of MFRs, closely related to the magnetic free energy and stableness. Although the effect of the twist on the behavior of MFRs had been widely studied in observations, theory, modeling, and numerical simulations, it is still unclear how much amount of twist is carried by MFRs in the solar atmosphere and in heliosphere and what role the twist played in the eruptions of MFRs. Contrasting to the solar MFRs, there are lots of in situ measurements of magnetic clouds (MCs), the large-scale MFRs in interplanetary space, providing some important information of the twist of MFRs. Thus, starting from MCs, we investigate the twist of interplanetary MFRs with the aid of a velocity-modified uniform-twist force-free flux rope model. It is found that most of MCs can be roughly fitted by the model and nearly half of them can be fitted fairly well though the derived twist is probably overestimated by a factor of 2.5. By applying the model to 115 MCs observed at 1 AU, we find that (1) the twist angles of interplanetary MFRs generally follow a trend of about 0.6l/R radians, where l/R is the aspect ratio of a MFR, with a cutoff at about 12π radians AU-1, (2) most of them are significantly larger than 2.5π radians but well bounded by 2l/R radians, (3) strongly twisted magnetic field lines probably limit the expansion and size of MFRs, and (4) the magnetic field lines in the legs wind more tightly than those in the leading part of MFRs. These results not only advance our understanding of the properties and behavior of interplanetary MFRs but also shed light on the formation and eruption of MFRs in the solar atmosphere. A discussion about the twist and stableness of solar MFRs are therefore given.

  19. Twist Field as Three String Interaction Vertex in Light Cone String Field Theory

    OpenAIRE

    Kishimoto, Isao; Moriyama, Sanefumi; Teraguchi, Shunsuke

    2006-01-01

    It has been suggested that matrix string theory and light-cone string field theory are closely related. In this paper, we investigate the relation between the twist field, which represents string interactions in matrix string theory, and the three-string interaction vertex in light-cone string field theory carefully. We find that the three-string interaction vertex can reproduce some of the most important OPEs satisfied by the twist field.

  20. Coupled CFD/CSD Computation of Airloads of an Active-Twist Rotor

    Science.gov (United States)

    Massey, Steven J.; Kreshock, Andrew R.; Sekula, Martin K

    2013-01-01

    An unsteady Reynolds averaged Navier-Stokes analysis loosely coupled with a comprehensive rotorcraft code for blade trim and aeroelastic effects is presented for a second-generation Active-Twist Rotor. Mesh and temporal sensitives of computed airloads are evaluated. In the final paper, computed airloads will be compared with wind tunnel data for the Active-Twist Rotor test that is currently underway.

  1. On the description of exclusive processes beyond the leading twist approximation

    International Nuclear Information System (INIS)

    Anikin, I.V.; Ivanov, D.Yu.; Pire, B.; Szymanowski, L.; Wallon, S.

    2010-01-01

    We describe hard exclusive processes beyond the leading twist approximation in a framework based on the Taylor expansion of the amplitude around the dominant light-cone directions. This naturally introduces an appropriate set of non-perturbative correlators whose number is minimalized after taking into account QCD equations of motion and the invariance under rotation on the light-cone. We exemplify this method at the twist 3 level and show that the coordinate and momentum space descriptions are fully equivalent.

  2. On the description of exclusive processes beyond the leading twist approximation

    Energy Technology Data Exchange (ETDEWEB)

    Anikin, I.V. [Bogoliubov Laboratory of Theoretical Physics, JINR, 141980 Dubna (Russian Federation); Ivanov, D.Yu. [Institute of Mathematics, 630090 Novosibirsk (Russian Federation); Pire, B., E-mail: pire@cpht.polytechnique.f [CPhT, Ecole Polytechnique, CNRS, F-91128 Palaiseau (France); Szymanowski, L. [Soltan Institute for Nuclear Studies, Hoza 69, 00-681 Warsaw (Poland); Wallon, S. [LPT, Universite d' Orsay, CNRS, 91404 Orsay (France); UPMC Univ. Paris 6, Faculte de Physique, 4 place Jussieu, 75252 Paris Cedex 05 (France)

    2010-01-04

    We describe hard exclusive processes beyond the leading twist approximation in a framework based on the Taylor expansion of the amplitude around the dominant light-cone directions. This naturally introduces an appropriate set of non-perturbative correlators whose number is minimalized after taking into account QCD equations of motion and the invariance under rotation on the light-cone. We exemplify this method at the twist 3 level and show that the coordinate and momentum space descriptions are fully equivalent.

  3. One-dimensional structures behind twisted and untwisted superYang-Mills theory

    CERN Document Server

    Baulieu, Laurent

    2011-01-01

    We give a one-dimensional interpretation of the four-dimensional twisted N=1 superYang-Mills theory on a Kaehler manifold by performing an appropriate dimensional reduction. We prove the existence of a 6-generator superalgebra, which does not possess any invariant Lagrangian but contains two different subalgebras that determine the twisted and untwisted formulations of the N=1 superYang-Mills theory.

  4. Impact of higher twist terms on the analysis of scaling violation

    International Nuclear Information System (INIS)

    Barnett, R.M.

    1979-09-01

    A critical discussion is given of analyses of scaling violation in deep-inelastic scattering in the context of QCD. Several possible approaches are examined. Higher twist contributions are defined, and it is shown that they can have a crucial impact on tests of QCD. Higher twist terms can dramatically affect R = sigma/sub L//sigma/sub T/. QCD may be harder to test than previously realized. 17 references

  5. First results with two light flavours of quarks with maximally twisted mass

    International Nuclear Information System (INIS)

    Jansen, K.; Urbach, C.

    2006-10-01

    We report on first results of an ongoing effort to simulate lattice QCD with two degenerate flavours of quarks by means of the twisted mass formulation tuned to maximal twist. By utilising recent improvements of the HMC algorithm, pseudo-scalar masses well below 300 MeV are simulated on volumes L 3 .T with T=2L and L>2 fm and at values of the lattice spacing a f =2+1+1 flavours are discussed. (orig.)

  6. Scaling and χPT description of pions from Nf=2 twisted mass QCD

    International Nuclear Information System (INIS)

    Dimopoulos, Petros; Frezzotti, Roberto; Herdoiza, Gregorio; Jansen, Karl; Michael, Chris; Urbach, Carsten; Bonn Univ.

    2009-12-01

    We study light-quark observables by means of dynamical lattice QCD simulations using two flavours of twisted mass fermions at maximal twist. We employ chiral perturbation theory to describe our data for the pion mass and decay constant. In this way, we extract precise determinations for the low-energy constants of the effective theory as well as for the light-quark mass and the chiral condensate. (orig.)

  7. One-dimensional structures behind twisted and untwisted super Yang-Mills theory

    International Nuclear Information System (INIS)

    Baulieu, Laurent

    2010-01-01

    We give a one-dimensional interpretation of the four-dimensional twisted N = 1 super Yang-Mills theory on a Kaehler manifold by performing an appropriate dimensional reduction. We prove the existence of a 6-generator superalgebra, which does not possess any invariant Lagrangian but contains two different subalgebras that determine the twisted and untwisted formulations of the N = 1 super Yang-Mills theory. (author)

  8. Twisted Acceleration-Enlarged Newton-Hooke Space-Times and Conservative Force Terms

    International Nuclear Information System (INIS)

    Daszkiewicz, M.

    2011-01-01

    There are analyzed two classical systems defined on twist-deformed acceleration-enlarged Newton-Hooke space-times - non-relativistic particle moving in constant field force ∼F and harmonic oscillator model. It is demonstrated that only in the case of canonical twist deformation the force terms generated by space-time non-commutativity remain conservative for both models. (author)

  9. On the peculiarities of galvanomagnetic effects in high magnetic fields in twisting bicrystals of the 3D topological insulator Bi{sub 1–x}Sb{sub x} (0.07 ≤ x ≤ 0.2)

    Energy Technology Data Exchange (ETDEWEB)

    Muntyanu, F. M., E-mail: muntean-teodor@yahoo.com [Academy of Sciences of Moldova, Institute of Electronic Engineering and Industrial Technologies (Moldova, Republic of); Gheorghitsa, E. I. [Technical University of Moldova (Moldova, Republic of); Gilewski, A. [International Laboratory of High Magnetic Fields and Low Temperatures (Poland); Chistol, V. [Tiraspol State University (Moldova, Republic of); Bejan, V. [Technical University of Moldova (Moldova, Republic of); Munteanu, V. [Academy of Sciences of Moldova, Institute of Electronic Engineering and Industrial Technologies (Moldova, Republic of)

    2017-04-15

    Galvanomagnetic effects in twisting bicrystals of Bi{sub 1–x}Sb{sub x} alloys (0.07 ≤ x ≤ 0.2) at low temperatures and in magnetic fields up to 40 T are studied. It is found that, at small crystallite misorientation angles, the semiconductor–semimetal transition is induced in the central layer (~60-nm-thick) and two adjacent layers (each ~20-nm-thick) of the interface at different values of ultraquantum magnetic field. Bicrystals with large misorientation angles, being located in strong magnetic fields, exhibit quantum oscillations of the magnetoresistance and the Hall effect, thus indicating that the density of states is higher and charge carriers are heavier in the adjacent layers of the interfaces than in the crystallites. Our results show also that twisting bicrystals contain regions with different densities of quantum electronic states, which are determined by the crystallite misorientation angle and magnetic-field strength.

  10. Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS2.

    Science.gov (United States)

    Huang, Shengxi; Liang, Liangbo; Ling, Xi; Puretzky, Alexander A; Geohegan, David B; Sumpter, Bobby G; Kong, Jing; Meunier, Vincent; Dresselhaus, Mildred S

    2016-02-10

    van der Waals homo- and heterostructures assembled by stamping monolayers together present optoelectronic properties suitable for diverse applications. Understanding the details of the interlayer stacking and resulting coupling is crucial for tuning these properties. We investigated the low-frequency interlayer shear and breathing Raman modes (<50 cm(-1)) in twisted bilayer MoS2 by Raman spectroscopy and first-principles modeling. Twisting significantly alters the interlayer stacking and coupling, leading to notable frequency and intensity changes of low-frequency modes. The frequency variation can be up to 8 cm(-1) and the intensity can vary by a factor of ∼5 for twisting angles near 0° and 60°, where the stacking is a mixture of high-symmetry stacking patterns and is thus sensitive to twisting. For twisting angles between 20° and 40°, the interlayer coupling is nearly constant because the stacking results in mismatched lattices over the entire sample. It follows that the Raman signature is relatively uniform. Note that for some samples, multiple breathing mode peaks appear, indicating nonuniform coupling across the interface. In contrast to the low-frequency interlayer modes, high-frequency intralayer Raman modes are much less sensitive to interlayer stacking and coupling. This research demonstrates the effectiveness of low-frequency Raman modes for probing the interfacial coupling and environment of twisted bilayer MoS2 and potentially other two-dimensional materials and heterostructures.

  11. Lattice formulation of 2D N = (2,2) SQCD and twisted supercharges

    International Nuclear Information System (INIS)

    Sugino, Fumihiko

    2013-01-01

    We discuss on two kinds of lattice formulation of two-dimensional N = (2, 2) supersymmetric QCD preserving one of its supercharges. The preserved supercharge is of the same form obtained by topological twist. One formulation is based on A model twist, and the other is based on B model twist. For the A model twist case, by employing the Ginsparg-Wilson operator, the lattice model can be constructed for general number of flavors of fundamental and anti-fundamental matter multiplets under the gauge group G = U(N) or SU(N). It preserves both of one supercharge (Q) and chiral flavor symmetry of matter multiplets. Furthermore, superpotential can be introduced with exact holomorphic or anti-holomorphic structure on lattice. For the B model twist case, the lattice action takes a simpler form compared with the A model twist case, because the admissibility condition is not required to the formulation. It can be applied to a restricted cases of G = U(N) and of fundamental matters or anti-fundamental matters only.

  12. Reversal of helicoidal twist handedness near point defects of confined chiral liquid crystals.

    Science.gov (United States)

    Ackerman, Paul J; Smalyukh, Ivan I

    2016-05-01

    Handedness of the director twist in cholesteric liquid crystals is commonly assumed to be the same throughout the medium, determined solely by the chirality of constituent molecules or chiral additives, albeit distortions of the ground-state helicoidal configuration often arise due to the effects of confinement and external fields. We directly probe the twist directionality of liquid crystal director structures through experimental three-dimensional imaging and numerical minimization of the elastic free energy and show that spatially localized regions of handedness opposite to that of the chiral liquid crystal ground state can arise in the proximity of twisted-soliton-bound topological point defects. In chiral nematic liquid crystal confined to a film that has a thickness less than the cholesteric pitch and perpendicular surface boundary conditions, twisted solitonic structures embedded in a uniform unwound far-field background with chirality-matched handedness locally relieve confinement-imposed frustration and tend to be accompanied by point defects and smaller geometry-required, energetically costly regions of opposite twist handedness. We also describe a spatially localized structure, dubbed a "twistion," in which a twisted solitonic three-dimensional director configuration is accompanied by four point defects. We discuss how our findings may impinge on the stability of localized particlelike director field configurations in chiral and nonchiral liquid crystals.

  13. Twisting method for reducing friction during insertion of a sheath introducer and a sheathless guiding catheter.

    Science.gov (United States)

    Takagawa, Yoshitoki; Furukawa, Tetsuaki

    2018-01-01

    A sheathless system that inserts a catheter directly into the artery can reduce puncture site-related complications through a 2-Fr reduction of the outer diameter. However, the gap between the dilator and the guiding catheter of the sheathless system is larger than the gap between the dilator and sheath of the introducer system, resulting in stronger insertion resistance. A twisting method with rapid alternating rotation of a device to the left and right during insertion can reduce the insertion resistance. This method can be effective with the sheathless system which has a larger gap. To examine the effect of size reduction on the sheathless system and the effect of insertion resistance reduction using the twisting method, we developed an insertion simulator and compared insertion resistance to a 5-Fr sheath introducer and a 5-Fr sheathless system, with and without the twisting method. The insertion simulator pushed a sheath introducer or a sheathless system toward a mock artery consisted with a 5-mm urethane and a 1-mm rubber sheet by an electrical motor with or without twisting motion generated by a crank shaft. Insertion resistance during the penetration was measured by a tension meter. The insertion resistance was less with the 5-Fr sheathless system than with the 5-Fr sheath introducer. The resistance reduced further with use of twisting for both the sheathed and sheathless catheters. In conclusion, the experiment suggests the benefits of twisting insertion of a sheathless guiding catheter for reduction of puncture site-related complications.

  14. Workplace Charging. Charging Up University Campuses

    Energy Technology Data Exchange (ETDEWEB)

    Giles, Carrie [ICF International, Fairfax, VA (United States); Ryder, Carrie [ICF International, Fairfax, VA (United States); Lommele, Stephen [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-03-01

    This case study features the experiences of university partners in the U.S. Department of Energy's (DOE) Workplace Charging Challenge with the installation and management of plug-in electric vehicle (PEV) charging stations.

  15. Direct transfer and Raman characterization of twisted graphene bilayer

    International Nuclear Information System (INIS)

    Othmen, R.; Arezki, H.; Boutchich, M.; Ajlani, H.; Oueslati, M.; Cavanna, A.; Madouri, A.

    2015-01-01

    Twisted bilayer graphene (tBLG) is constituted of a two-graphene layer with a mismatch angle θ between the two hexagonal structures. It has recently attracted much attention—thanks to its diverse electronic and optical properties. Here, we study the tBLG fabricated by the direct transfer of graphene monolayer prepared by chemical vapor deposition (CVD) onto another CVD graphene layer remaining attached to the copper foil. We show that high quality and homogeneous tBLG can be obtained by the direct transfer which prevents interface contamination. In this situation, the top graphene layer plays a supporting mechanical role to the bottom graphene layer as confirmed by optical microscopy, scanning electron microscopy, and Raman spectroscopy measurements. The effect of annealing tBLG was also investigated using micro-Raman spectroscopy. The Raman spectra exhibit a splitting of the G peak as well as a change in the 2D band shape indicating a possible decoupling of the two monolayers. We attribute these changes to the different interactions of the top and bottom layers with the substrate

  16. Twisted gastrulation, a BMP antagonist, exacerbates podocyte injury.

    Directory of Open Access Journals (Sweden)

    Sachiko Yamada

    Full Text Available Podocyte injury is the first step in the progression of glomerulosclerosis. Previous studies have demonstrated the beneficial effect of bone morphogenetic protein 7 (Bmp7 in podocyte injury and the existence of native Bmp signaling in podocytes. Local activity of Bmp7 is controlled by cell-type specific Bmp antagonists, which inhibit the binding of Bmp7 to its receptors. Here we show that the product of Twisted gastrulation (Twsg1, a Bmp antagonist, is the central negative regulator of Bmp function in podocytes and that Twsg1 null mice are resistant to podocyte injury. Twsg1 was the most abundant Bmp antagonist in murine cultured podocytes. The administration of Bmp induced podocyte differentiation through Smad signaling, whereas the simultaneous administration of Twsg1 antagonized the effect. The administration of Bmp also inhibited podocyte proliferation, whereas simultaneous administration of Twsg1 antagonized the effect. Twsg1 was expressed in the glomerular parietal cells (PECs and distal nephron of the healthy kidney, and additionally in damaged glomerular cells in a murine model of podocyte injury. Twsg1 null mice exhibited milder hypoalbuminemia and hyperlipidemia, and milder histological changes while maintaining the expression of podocyte markers during podocyte injury model. Taken together, our results show that Twsg1 plays a critical role in the modulation of protective action of Bmp7 on podocytes, and that inhibition of Twsg1 is a promising means of development of novel treatment for podocyte injury.

  17. Optimization of aerodynamic efficiency for twist morphing MAV wing

    Directory of Open Access Journals (Sweden)

    N.I. Ismail

    2014-06-01

    Full Text Available Twist morphing (TM is a practical control technique in micro air vehicle (MAV flight. However, TM wing has a lower aerodynamic efficiency (CL/CD compared to membrane and rigid wing. This is due to massive drag penalty created on TM wing, which had overwhelmed the successive increase in its lift generation. Therefore, further CL/CDmax optimization on TM wing is needed to obtain the optimal condition for the morphing wing configuration. In this paper, two-way fluid–structure interaction (FSI simulation and wind tunnel testing method are used to solve and study the basic wing aerodynamic performance over (non-optimal TM, membrane and rigid wings. Then, a multifidelity data metamodel based design optimization (MBDO process is adopted based on the Ansys-DesignXplorer frameworks. In the adaptive MBDO process, Kriging metamodel is used to construct the final multifidelity CL/CD responses by utilizing 23 multi-fidelity sample points from the FSI simulation and experimental data. The optimization results show that the optimal TM wing configuration is able to produce better CL/CDmax magnitude by at least 2% than the non-optimal TM wings. The flow structure formation reveals that low TV strength on the optimal TM wing induces low CD generation which in turn improves its overall CL/CDmax performance.

  18. A new concept for active bistable twisting structures

    Science.gov (United States)

    Schultz, Marc R.

    2005-05-01

    A novel type of morphing structure capable of a large change in shape with a small energy input is discussed in this paper. The considered structures consist of two curved shells that are joined in a specific manner to form a bistable airfoil-like structure. The two stable shapes have a difference in axial twist, and the structure may be transformed between the stable shapes by a simple snap-through action. The benefit of a bistable structure of this type is that, if the stable shapes are operational shapes, power is needed only to transform the structure from one shape to another. The discussed structures could be used in aerodynamic applications such as morphing wings, or as aerodynamic control surfaces. The investigation discussed in this paper considers both experiment and finite-element analysis. Several graphite-epoxy composite and one steel device were created as proof-of-concept models. To demonstrate active control of these structures, piezocomposite actuators were applied to one of the composite structures and used to transform the structure between stable shapes. The analysis was used to compare the predicted shapes with the experimental shapes, and to study how changes to the geometric input values affected the shape and operational characteristics of the structures. The predicted shapes showed excellent agreement with the experimental shapes, and the results of the parametric study suggest that the shapes and the snap-through characteristics can be easily tailored to meet specific needs.

  19. Double scaling limits and twisted non-critical superstrings

    International Nuclear Information System (INIS)

    Bertoldi, Gaetano

    2006-01-01

    We consider double-scaling limits of multicut solutions of certain one matrix models that are related to Calabi-Yau singularities of type A and the respective topological B model via the Dijkgraaf-Vafa correspondence. These double-scaling limits naturally lead to a bosonic string with c ≤ 1. We argue that this non-critical string is given by the topologically twisted non-critical superstring background which provides the dual description of the double-scaled little string theory at the Calabi-Yau singularity. The algorithms developed recently to solve a generic multicut matrix model by means of the loop equations allow to show that the scaling of the higher genus terms in the matrix model free energy matches the expected behaviour in the topological B-model. This result applies to a generic matrix model singularity and the relative double-scaling limit. We use these techniques to explicitly evaluate the free energy at genus one and genus two

  20. Quantum spin Hall effect in twisted bilayer graphene

    Science.gov (United States)

    Finocchiaro, F.; Guinea, F.; San-Jose, P.

    2017-06-01

    Motivated by a recent experiment (Sanchez-Yamagishi et al 2016 Nat. Nanotechnol. 214) reporting evidence of helical spin-polarized edge states in layer-biased twisted bilayer graphene under a magnetic flux, we study the possibility of stabilising a quantum spin Hall (QSH) phase in such a system, without Zeeman or spin-orbit couplings, and with a QSH gap induced instead by electronic interactions. We analyse how magnetic flux, electric field, interlayer rotation angle, and interactions (treated at a mean field level) combine to produce a pseudo-QSH with broken time-reversal symmetry, and spin-polarized helical edge states. The effect is a consequence of a robust interaction-induced ferrimagnetic ordering of the quantum Hall ground state under an interlayer bias, provided the two rotated layers are effectively decoupled at low energies. We discuss in detail the electronic structure and the constraints on system parameters, such as the angle, interactions and magnetic flux, required to reach the pseudo-QSH phase. We find, in particular, that purely local electronic interactions are not sufficient to account for the experimental observations, which demand at least nearest-neighbour interactions to be included.

  1. Inhomogeneity in microstructure and mechanical properties during twist extrusion

    Energy Technology Data Exchange (ETDEWEB)

    Noor, Sh. Vakili [School of Metallurgy and Materials Engineering, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Eivani, A.R., E-mail: aeivani@iust.ac.ir [School of Metallurgy and Materials Engineering, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Jafarian, H.R. [School of Metallurgy and Materials Engineering, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Mirzaei, M. [Material Engineering Group, Islamic Azad University, Kermanshah (Iran, Islamic Republic of)

    2016-01-15

    In the present paper, the effect of twist extrusion (TE) on the variations of hardness and tensile properties in commercial pure copper is investigated. It is found that hardness, yield and ultimate tensile strength of the alloy increased by increasing distance from the center of the sample after one pass TE. Similar consequences are observed when the second pass of deformation is considered. This is attributed to inhomogeneity of deformation and the higher strain imposed on the material at the peripheral regions. It should be noted that the inhomogeneity is increased at the second pass when route A of deformation is utilized and reduces by utilization of route D. This has as a well-established effect on the development of microstructure throughout the cross section of the samples. In fact, it is found that the microstructure at the peripheral regions is more significantly deformed leading to higher dislocation density and extensive subgrain formation. In addition, it is found that at the second pass using route A, inhomogeneity of deformation and microstructure increases. However, less inhomogeneity is observed when route D is utilized which is in line with the hardness and tensile test results. In the end, it is concluded that depending on the aim of the SPD process, if more homogeneous deformation and microstructure is required, route D is recommended and route A should be utilized in case if maximum inhomogeneity is desirable.

  2. Propulsion and hydrodynamic particle transport of magnetically twisted colloidal ribbons

    Science.gov (United States)

    Massana-Cid, Helena; Martinez-Pedrero, Fernando; Navarro-Argemí, Eloy; Pagonabarraga, Ignacio; Tierno, Pietro

    2017-10-01

    We describe a method to trap, transport and release microscopic particles in a viscous fluid using the hydrodynamic flow field generated by a magnetically propelled colloidal ribbon. The ribbon is composed of ferromagnetic microellipsoids that arrange with their long axis parallel to each other, a configuration that is energetically favorable due to their permanent magnetic moments. We use an external precessing magnetic field to torque the anisotropic particles forming the ribbon, and to induce propulsion of the entire structure due to the hydrodynamic coupling with the close substrate. The propulsion speed of the ribbon can be controlled by varying the driving frequency, or the amplitude of the precessing field. The latter parameter is also used to reduce the average inter particle distance and to induce the twisting of the ribbon due to the increase in the attraction between the rotating ellipsoids. Furthermore, non magnetic particles are attracted or repelled with the hydrodynamic flow field generated by the propelling ribbon. The proposed method may be used in channel free microfluidic applications, where the precise trapping and transport of functionalized particles via non invasive magnetic fields is required.

  3. A topologically twisted index for three-dimensional supersymmetric theories

    Energy Technology Data Exchange (ETDEWEB)

    Benini, Francesco [Delta Institute for Theoretical Physics, University of Amsterdam, Science Park 904, 1098 XH Amsterdam (Netherlands); Blackett Laboratory, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Zaffaroni, Alberto [Dipartimento di Fisica, Università di Milano-Bicocca, I-20126 Milano (Italy); INFN, sezione di Milano-Bicocca,I-20126 Milano (Italy)

    2015-07-23

    We provide a general formula for the partition function of three-dimensional N=2 gauge theories placed on S{sup 2}×S{sup 1} with a topological twist along S{sup 2}, which can be interpreted as an index for chiral states of the theories immersed in background magnetic fields. The result is expressed as a sum over magnetic fluxes of the residues of a meromorphic form which is a function of the scalar zero-modes. The partition function depends on a collection of background magnetic fluxes and fugacities for the global symmetries. We illustrate our formula in many examples of 3d Yang-Mills-Chern-Simons theories with matter, including Aharony and Giveon-Kutasov dualities. Finally, our formula generalizes to Ω-backgrounds, as well as two-dimensional theories on S{sup 2} and four-dimensional theories on S{sup 2}×T{sup 2}. In particular this provides an alternative way to compute genus-zero A-model topological amplitudes and Gromov-Witten invariants.

  4. Shrink, twist, ripple and melt: Studies of frustrated liquid crystals

    Science.gov (United States)

    Fernsler, Jonathan G.

    Complex structures can arise out of a simple system with more than one competing influence on its behavior. The protypical example of this is the two-dimensional triangular lattice Ising model. The ferromagnetic model has two simple degenerate ground states of all spins up or down, but the antiferromagnetic model is a frustrated system. Its geometry does not allow satisfaction of the antiferro condition everywhere, which produces complex ordered structures with dimerization of the spins [1]. Without frustration, the complex structures and phase behavior are lost. All of the topics discussed in this thesis concern smectic liquid crystals. Liquid crystals are perhaps uniquely adept at manifesting frustrated phases. Their combination of periodicity in one or more dimensions allows ordered structures, yet their fluid nature in remaining dimensions allows creation of defects and extraordinarily complex structures in ways that a normal crystal could not tolerate. Liquid crystals contain a huge menagerie of frustrated phases and effects including the polarization modulated [2], vortex lattice [3], twist grain boundary [4], and blue [5] phases, as well as frustrated structures such as cholesteric or SmC* helix unwinding [6], defect lattices in thin films [7], and bend melted grain boundary defects [8], arising from boundary conditions and field effects. In this thesis, we study four liquid crystal systems that show unusual phase behavior or complex structures, deriving from the effects of frustration. Frustration, despite some human prejudices against the word, leaves nature all the more interesting and beautiful.

  5. Theoretical Investigation of Intramolecular Hydrogen Shift Reactions in 3-Methyltetrahydrofuran (3-MTHF) Oxidation.

    Science.gov (United States)

    Parab, Prajakta R; Sakade, Naoki; Sakai, Yasuyuki; Fernandes, Ravi; Heufer, K Alexander

    2015-11-05

    3-Methyltetrahydrofuran (3-MTHF) is proposed to be a promising fuel component among the cyclic oxygenated species. To have detailed insight of its combustion kinetics, intramolecular hydrogen shift reactions for the ROO to QOOH reaction class are studied for eight ROO isomers of 3-MTHF. Rate constants of all possible reaction paths that involve formation of cyclic transition states are computed by employing the CBS-QB3 composite method. A Pitzer-Gwinn-like approximation has been applied for the internal rotations in reactants, products, and transition states for the accurate treatment of hindered rotors. Calculated relative barrier heights highlight that the most favorable reaction channel proceeds via a six membered transition state, which is consistent with the computed rate constants. Comparing total rate constants in ROO isomers of 3-MTHF with the corresponding isomers of methylcyclopentane depicts faster kinetics in 3-MTHF than methylcyclopentane reflecting the effect of ring oxygen on the intramolecular hydrogen shift reactions.

  6. Long-range intramolecular electron transfer in aromatic radical anions and binuclear transition metal complexes

    DEFF Research Database (Denmark)

    Kuznetsov, A. M.; Ulstrup, Jens

    1981-01-01

    radicals containing two aromatic end groups connected by a flexible polymethylene chain or a rigid cyclohexane frame is thus trapped on either aromatic end group, and ET between these groups can be detected by ESR techniques. Intramolecular ET also occurs in binuclear transition metal complexes in which......, and for intramolecular and inner sphere ET for transition metal complexes. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....... the coupling between the metal centers [(Ru(II)/Ru(III) and Ru(II)/Co(III) couples] is sufficiently weak (class I or II mixed valence compounds). The ET mechanism can involve either direct transfer between the donor and acceptor groups or a higher order mechanism in which ET proceeds through intermediate...

  7. Communication: Practical intramolecular symmetry adapted perturbation theory via Hartree-Fock embedding.

    Science.gov (United States)

    Parrish, Robert M; Gonthier, Jérôme F; Corminbœuf, Clémence; Sherrill, C David

    2015-08-07

    We develop a simple methodology for the computation of symmetry-adapted perturbation theory (SAPT) interaction energy contributions for intramolecular noncovalent interactions. In this approach, the local occupied orbitals of the total Hartree-Fock (HF) wavefunction are used to partition the fully interacting system into three chemically identifiable units: the noncovalent fragments A and B and a covalent linker C. Once these units are identified, the noninteracting HF wavefunctions of the fragments A and B are separately optimized while embedded in the HF wavefunction of C, providing the dressed zeroth order wavefunctions for A and B in the presence of C. Standard two-body SAPT (particularly SAPT0) is then applied between the relaxed wavefunctions for A and B. This intramolecular SAPT procedure is found to be remarkably straightforward and efficient, as evidenced by example applications ranging from diols to hexaphenyl-ethane derivatives.

  8. Fast and versatile microwave-assisted intramolecular Heck reaction in peptide macrocyclization using microwave energy.

    Science.gov (United States)

    Byk, Gerardo; Cohen-Ohana, Mirit; Raichman, Daniel

    2006-01-01

    We have revisited the intramolecular Heck reaction and investigated the microwave-assisted macrocyclization on preformed peptides using a model series of ring-varying peptides acryloyl-Gly-[Gly](n)-Phe(4-I)NHR; n = 0-4. The method was applied to both solution and solid supported cyclizations. We demonstrate that the intramolecular Heck reaction can be performed in peptides both in solution and solid support using a modified domestic microwave within 1 to 30 minutes in DMF under reflux with moderate yields ranging from 15 to 25% for a scale between 2-45 mg of linear precursors. The approach was applied to the synthesis of a constrained biologically relevant peptidomimetic bearing an Arg-Gly-Asp (RGD) sequence. These results make the microwave-assisted Heck reaction an attractive renovated approach for peptidomimetics. Copyright 2006 Wiley Periodicals, Inc.

  9. Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation

    Energy Technology Data Exchange (ETDEWEB)

    Harada, Hitoshi; Thalji, Reema; Bergman, Robert; Ellman, Jonathan

    2008-05-22

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe){sub 2}]{sub 2} and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.

  10. Enantioselective intramolecular hydroarylation of alkenes via directed C-H bond activation.

    Science.gov (United States)

    Harada, Hitoshi; Thalji, Reema K; Bergman, Robert G; Ellman, Jonathan A

    2008-09-05

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe)2]2 and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.

  11. Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C–H Bond Activation

    Science.gov (United States)

    Harada, Hitoshi; Thalji, Reema K.; Bergman, Robert G.; Ellman, Jonathan A.

    2008-01-01

    Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe)2]2 and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer. PMID:18681407

  12. Ciclização intramolecular de 2-(w-Bromoalquiloxi) anilinas /

    OpenAIRE

    Martendal, Adriano

    1999-01-01

    Dissertação (Mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas. Ciclizações intramoleculares podem ser estudadas como modelos miméticos de catálise enzimática. Esses modelos fundamentam-se no princípio de que os parâmetros físico-químicos que governam a reatividade entre dois grupamentos funcionais em uma reação intramolecular, estejam presentes também no mecanismo da ação enzimática. Os brometos de 2-(w-bromoalquiloxi)anilínio e 2-(w-bromoalquilo...

  13. EVAPORATION: a new vapour pressure estimation methodfor organic molecules including non-additivity and intramolecular interactions

    Science.gov (United States)

    Compernolle, S.; Ceulemans, K.; Müller, J.-F.

    2011-09-01

    We present EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects), a method to predict (subcooled) liquid pure compound vapour pressure p0 of organic molecules that requires only molecular structure as input. The method is applicable to zero-, mono- and polyfunctional molecules. A simple formula to describe log10p0(T) is employed, that takes into account both a wide temperature dependence and the non-additivity of functional groups. In order to match the recent data on functionalised diacids an empirical modification to the method was introduced. Contributions due to carbon skeleton, functional groups, and intramolecular interaction between groups are included. Molecules typically originating from oxidation of biogenic molecules are within the scope of this method: aldehydes, ketones, alcohols, ethers, esters, nitrates, acids, peroxides, hydroperoxides, peroxy acyl nitrates and peracids. Therefore the method is especially suited to describe compounds forming secondary organic aerosol (SOA).

  14. Determination of the ionic charge of semiquinones by pulsed conductivity and ESR techniques

    International Nuclear Information System (INIS)

    Mukherjee, T.; Dodd, N.J.F.; Swallow, A.J.

    1987-01-01

    Microsecond pulsed conductivity and ESR techniques have been used for unambiguous determination of the ionic charge on semiquinones derived from one-electron reduction of hydroxy-quinones such as juglone, naphthazarin, sodium quinizarin-2-sulphonate and adriamycin. Irrespective of the presence of other charges elsewhere in the molecule, the radical centres of all the semiquinones have been shown to be mono-anionic at around neutral pH. The importance and significance of strong intramolecular H- bonding have been highlighted. Results on one-electron oxidation of naphthazarin have also been briefly discussed. (author)

  15. Some kinetic and spectroscopic evidence on intramolecular relaxation processes in polyatomic molecules

    International Nuclear Information System (INIS)

    Quack, M.

    1983-01-01

    The description and definition of intramolecular vibrational relaxation processes is discussed within the framework of the quantum mechanical and statistical mechanical equations of motion. The evidence from quite different experimental sources is summarized under the common aspect of vibrational relaxation. Although much of the evidence remains ambiguous, there is good indication that a localized vibrational excitation relaxes typically in 0.1 to 10 picoseconds, which is long compared to many optical and reactive processes

  16. A Concomitant Allylic Azide Rearrangement/Intramolecular Azide–Alkyne Cycloaddition Sequence

    Science.gov (United States)

    2015-01-01

    An intramolecular Huisgen cycloaddition of an interconverting set of isomeric allylic azides with alkynes affords substituted triazoles in high yield. The stereoisomeric vinyl-substituted triazoloxazines formed depend on the rate of cycloaddition of the different allylic azide precursors when the reaction is carried out under thermal conditions. In contrast, dimerized macrocyclic products were obtained when the reaction was done using copper(I)-catalyzed conditions, demonstrating the ability to control the reaction products through changing conditions. PMID:24635056

  17. Intramolecular Azide to Alkene Cycloadditions for the Construction of Pyrrolobenzodiazepines and Azetidino-Benzodiazepines

    Directory of Open Access Journals (Sweden)

    Karl Hemming

    2014-10-01

    Full Text Available The coupling of proline- and azetidinone-substituted alkenes to 2-azidobenzoic and 2-azidobenzenesulfonic acid gives precursors that undergo intramolecular azide to alkene 1,3-dipolar cycloadditions to give imine-, triazoline- or aziridine-containing pyrrolo[1,4]benzodiazepines (PBDs, pyrrolo[1,2,5]benzothiadiazepines (PBTDs, and azetidino[1,4]benzodiazepines. The imines and aziridines are formed after loss of nitrogen from a triazoline cycloadduct. The PBDs are a potent class of antitumour antibiotics.

  18. Efficient intramolecular cyclizations of phenoxyethynyl diols into multisubstituted α,β-unsaturated lactones.

    Science.gov (United States)

    Egi, Masahiro; Ota, Yuya; Nishimura, Yuka; Shimizu, Kaori; Azechi, Kenji; Akai, Shuji

    2013-08-16

    AgOTf-catalyzed intramolecular cyclization of phenoxyethynyl diols proceeded under mild conditions to afford the multisubstituted α,β-unsaturated-γ-lactones in 55-98% yields. This method was also applicable to the synthesis of α,β-unsaturated-δ-lactones. A similar cyclization proceeded when AgOTf was replaced with a stoichiometric amount of N-bromosuccinimide to furnish the α-bromo-substituted α,β-unsaturated lactones.

  19. An intramolecular inverse electron demand Diels–Alder approach to annulated α-carbolines

    Directory of Open Access Journals (Sweden)

    Zhiyuan Ma

    2012-06-01

    Full Text Available Intramolecular inverse electron demand cycloadditions of isatin-derived 1,2,4-triazines with acetylenic dienophiles tethered by amidations or transesterifications proceed in excellent yields to produce lactam- or lactone-fused α-carbolines. Beginning with various isatins and alkynyl dienophiles, a pilot-scale library of eighty-eight α-carbolines was prepared by using this robust methodology for biological evaluation.

  20. Intramolecular electron transfer through a bridging carboxylate group coordinated to two cobalt(III)-ions

    International Nuclear Information System (INIS)

    Wieghardt, K.

    1978-01-01

    Reduction of the binuclear μ-p-nitrobenzoato -di-μ-hydroxo -bis[triammine cobalt(III)] cation with (CH 3 ) 2 COH radicals yields a radical cation with the p-nitrobenzoato radical being coordinated to two cobalt(III) ions at the carboxylic group. The unprotonated form of this species undergoes intramolecular electron transfer producing Co(II) (k = (3.3 +- 0.3). x 10 3 s -1 ). The role of the carboxylate group in the intramolecular electron transfer process is tentatively assessed in terms of an intramolecular outer-sphere reaction because of lack of overlap of the donor orbitals (π) and the acceptor orbital (sigma). The protonated form of the radical cation (pKsub(a) = 2.5) disproportionates via a bimolecular process without production of Co(II). The effect of two coordinated Co(III) ions as compared to only one on the properties of the nitrobenzoate radical anion are discussed. (orig.) 891 HK 892 GM [de