Sample records for twisted intramolecular charge
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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.
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Borelli, Mirko; Iasilli, Giuseppe; Minei, Pierpaolo; Pucci, Andrea
2017-08-06
Thin films of styrene copolymers containing fluorescent molecular rotors were demonstrated to be strongly sensitive to volatile organic compounds (VOCs). Styrene copolymers of 2-[4-vinyl(1,1'-biphenyl)-4'-yl]-cyanovinyljulolidine (JCBF) were prepared with different P(STY- co -JCBF)(m) compositions (m% = 0.10-1.00) and molecular weights of about 12,000 g/mol. Methanol solutions of JCBF were not emissive due to the formation of the typical twisted intramolecular charge transfer (TICT) state at low viscosity regime, which formation was effectively hampered by adding progressive amounts of glycerol. The sensing performances of the spin-coated copolymer films (thickness of about 4 µm) demonstrated significant vapochromism when exposed to VOCs characterized by high vapour pressure and favourable interaction with the polymer matrix such as THF, CHCl₃ and CH₂Cl₂. The vapochromic response was also reversible and reproducible after successive exposure cycles, whereas the fluorescence variation scaled linearly with VOC concentration, thus suggesting future applications as VOC optical sensors.
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Modesto-Costa, Lucas; Borges, Itamar
2018-08-05
The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule is a prototypical system displaying twisted intramolecular (TICT) charge transfer effects. The ground and the first four electronic excited states (S 1 -S 4 ) in gas phase and upon solvation were studied. Charge transfer values as function of the torsion angle between the donor group (dimethylamine) and the acceptor moiety (benzonitrile) were explicitly computed. Potential energy curves were also obtained. The algebraic diagrammatic construction method at the second-order [ADC(2)] ab initio wave function was employed. Three solvents of increased polarities (benzene, DMSO and water) were investigated using discrete (average solvent electrostatic configuration - ASEC) and continuum (conductor-like screening model - COSMO) models. The results for the S 3 and S 4 excited states and the S 1 -S 4 charge transfer curves were not previously available in the literature. Electronic gas phase and solvent vertical spectra are in good agreement with previous theoretical and experimental results. In the twisted (90°) geometry the optical oscillator strengths have negligible values even for the S 2 bright state. Potential energy curves show two distinct pairs of curves intersecting at decreasing angles or not crossing in the more polar solvents. Charge transfer and electric dipole values allowed the rationalization of these results. The former effects are mostly independent of the solvent model and polarity. Although COSMO and ASEC solvent models mostly lead to similar results, there is an important difference: some crossings of the excitation energy curves appear only in the ASEC solvation model, which has important implications to the photochemistry of DMABN. Copyright © 2018 Elsevier B.V. All rights reserved.
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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.
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Ghosh, Soumen; Roscioli, Jerome D.; Beck, Warren F.
2014-06-01
We have employed 2D electronic photon echo spectroscopy to study intramolecular charge-transfer dynamics in eosin B. After preparation of the first excited singlet state (S_1) with 40-fs excitation pulses at 520 nm, the nitro group (--NO_2) in eosin B undergoes excited state torsional motion towards a twisted intramolecular charge transfer (TICT) state. As the viscosity of the surrounding solvent increases, the charge-transfer rate decreases because the twisting of the --NO_2 group is hindered. These conclusions are supported by the time evolution of the 2D spectrum, which provides a direct measure of the the ground-to-excited-state energy gap time-correlation function, M(t). In comparison to the inertial and diffusive solvation time scales exhibited by eosin Y, which lacks the nitro group, the M(t) function for eosin B exhibits under the same conditions an additional component on the 150-fs timescale that arises from quenching of the S_1 state by crossing to the TICT state. These results indicate that 2D electronic spectroscopy can be used as a sensitive probe of the rate of charge transfer in a molecular system and of the coupling to the motions of the surrounding solvent. (Supported by grant DE-SC0010847 from the Department of Energy, Office of Basic Energy Sciences, Photosynthetic Systems program.)
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Energy Technology Data Exchange (ETDEWEB)
Chakraborty, Amrita [Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009 (India); Kar, Samiran [Department of Organic Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700 032 (India); Guchhait, Nikhil [Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009 (India)], E-mail: nikhilg@postmark.net
2006-01-05
The photophysical behaviour of trans-methyl p-(dimethylamino) cinnamate (t-MDMAC) donor-acceptor system has been investigated by steady-state absorption and emission spectroscopy and quantum chemical calculations. The molecule t-MDMAC shows an emission from the locally excited state in non-polar solvents. In addition to weak local emission, a strong solvent dependent red shifted fluorescence in polar aprotic solvents is attributed to highly polar intramolecular charge transfer state. However, the formation of hydrogen-bonded clusters with polar protic solvents has been suggested from a linear correlation between the observed red shifted fluorescence band maxima with hydrogen bonding parameters ({alpha}). Calculations by ab initio and density functional theory show that the lone pair electron at nitrogen center is out of plane of the benzene ring in the global minimum ground state structure. In the gas phase, a potential energy surface along the twist coordinate at the donor (-NMe{sub 2}) and acceptor (-CH = CHCOOMe) sites shows stabilization of S{sub 1} state and destabilization S{sub 2} and S{sub 0} states. A similar potential energy calculation along the twist coordinate in acetonitrile solvent using non-equilibrium polarized continuum model also shows more stabilization of S{sub 1} state relative to other states and supports solvent dependent red shifted emission properties. In all types of calculations it is found that the nitrogen lone pair is delocalized over the benzene ring in the global minimum ground state and is localized on the nitrogen centre at the 90 deg. twisted configuration. The S{sub 1} energy state stabilization along the twist coordinate at the donor site and localized nitrogen lone pair at the perpendicular configuration support well the observed dual fluorescence in terms of proposed twisted intramolecular charge transfer (TICT) model.
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International Nuclear Information System (INIS)
Kumar Paul, Bijan; Samanta, Anuva; Kar, Samiran; Guchhait, Nikhil
2010-01-01
Intramolecular charge transfer (ICT) reaction has been investigated in 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester (DPDAME) using spectroscopic techniques. The molecule DPDAME shows local emission in non-polar solvent and dual emission in polar solvents. Solvatochromic effects on the Stokes shifted emission band clearly demonstrate the charge transfer character of the excited state. Quantum chemical calculations have been performed at Hartree-Fock (HF) and density functional theoretical (DFT) levels to correlate the experimental findings. Potential energy curves (PECs) for the ICT reaction have been evaluated along the donor twist angle at DFT and time dependent density functional theory (TDDFT) levels for the ground and excited states, respectively, using B3LYP hybrid functional and 6-31G** basis set. The solvent effects on the spectral properties have been explored theoretically at the same level with time dependent density functional theory-polarized continuum model (TDDFT-PCM) and the theoretical results are found to well substantiate the solvent polarity dependent Stokes shifted emission of DPDAME. Huge enhancement of dipole moment (Δμ=16.42 D) of the molecule following photoexcitation dictates the highly polar character of the excited state. Although elucidation of PECs does not exactly predict the operation of ICT according to twisted intramolecular charge transfer (TICT) model in DPDAME, lowering of vertical transition energy as a function of the donor twist coordinate scripts the occurrence of red shifted emission as observed experimentally.
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Effects of acid concentration on intramolecular charge transfer ...
Indian Academy of Sciences (India)
rate. Time-dependent density functional theory calculations have been performed to understand the observed spectroscopic results. Keywords. Intramolecular charge transfer; absorption and fluorescence; time resolved fluorescence measurements; acid concentration dependence; time-dependent density functional theory.
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International Nuclear Information System (INIS)
Ding Liping; Fang Yu; Jiang Linling; Gao Lining; Yin Xiong
2005-01-01
A new fluorescent chitosan film bearing dansyl as a fluorophore has been prepared. The film shows dual fluorescence phenomenon due to twisted intra-molecular charge transfer (TICT) in the excited state of the fluorophore. The position of the maximum emission of the film depends on the polarity of the medium, and it shifts from 460 nm in ethanol to 505 nm in water. The two emissions have been attributed to the emission from the 'locally excited' state or non-charge transfer excited state of dansyl and that from the TICT excited state of the fluorophore, respectively. Existence of TICT phenomenon of the immobilized dansyl has been confirmed and studied by various fluorescence techniques, such as fluorescence lifetime measurement, steady-state and time-resolved fluorescence emission spectroscopy measurements, etc. The ratio, I 505 /I 460 , of the intensities of the two emission bands depends linearly on the concentration of water in ethanol-water mixture provided the concentration is less than 40%. Furthermore, the sensing property of the film to the mixture is reversible
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Energy Technology Data Exchange (ETDEWEB)
Ding Liping [School of Chemistry and Materials Science, Shaanxi Normal University, Changan Road No. 199, Xi' an 710062 (China); Fang Yu [School of Chemistry and Materials Science, Shaanxi Normal University, Changan Road No. 199, Xi' an 710062 (China)]. E-mail: yfang@snnu.edu.cn; Jiang Linling [School of Chemistry and Materials Science, Shaanxi Normal University, Changan Road No. 199, Xi' an 710062 (China); Gao Lining [School of Chemistry and Materials Science, Shaanxi Normal University, Changan Road No. 199, Xi' an 710062 (China); Yin Xiong [School of Chemistry and Materials Science, Shaanxi Normal University, Changan Road No. 199, Xi' an 710062 (China)
2005-05-01
A new fluorescent chitosan film bearing dansyl as a fluorophore has been prepared. The film shows dual fluorescence phenomenon due to twisted intra-molecular charge transfer (TICT) in the excited state of the fluorophore. The position of the maximum emission of the film depends on the polarity of the medium, and it shifts from 460 nm in ethanol to 505 nm in water. The two emissions have been attributed to the emission from the 'locally excited' state or non-charge transfer excited state of dansyl and that from the TICT excited state of the fluorophore, respectively. Existence of TICT phenomenon of the immobilized dansyl has been confirmed and studied by various fluorescence techniques, such as fluorescence lifetime measurement, steady-state and time-resolved fluorescence emission spectroscopy measurements, etc. The ratio, I {sub 505}/I {sub 460}, of the intensities of the two emission bands depends linearly on the concentration of water in ethanol-water mixture provided the concentration is less than 40%. Furthermore, the sensing property of the film to the mixture is reversible.
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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.
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Evaluation of intramolecular charge transfer state of 4-N, N ...
Indian Academy of Sciences (India)
Abstract. Intramolecular charge transfer of 4-N,N-dimethylamino cinnamaldehyde (DMACA) in vacuum and in five different aprotic solvents has been studied by using time-dependent density functional theory. (TDDFT). Polarizable continuum model (PCM) was employed to consider solvent–solute interactions. The potential ...
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Iwanaga, Tetsuo; Ogawa, Marina; Yamauchi, Tomokazu; Toyota, Shinji
2016-05-20
We designed anthracene bisimide (ABI) derivatives having two triphenylamine (TPA) groups as donor units at the 9,10-positions to form a novel π-conjugated donor-acceptor system. These compounds and their analogues with ethynylene linkers were synthesized by Suzuki-Miyaura and Sonogashira coupling reactions, respectively. In UV-vis spectra, the linker-free derivatives showed broad absorption bands arising from intramolecular charge-transfer interactions. Introducing ethynylene linkers resulted in a considerable red shift of the absorption bands. In fluorescence spectra, the ethynylene derivatives showed intense emission bands at 600-650 nm. Their photophysical and electrochemical properties were compared with those of the corresponding mono TPA derivatives on the basis of theoretical calculations and cyclic voltammetry to evaluate the intramolecular electronic interactions between the donor and acceptor units.
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Gogoleva, S. D.; Stsiapura, V. I.
2018-05-01
It was found that the spectral and fluorescent properties of BTA-1C cation in protic and aprotic solvents differ. It was shown that for solutions in long-chain alcohols viscosity is the main factor that determines the dynamics of intramolecular charge transfer in the excited state of the BTA-1C molecule. In the case of aprotic solvents a correlation was found between the rate constant of twisted intramolecular charge transfer (TICT) during rotation of fragments of the molecule in relation to each other in the excited state and the solvent relaxation rate: k TICT 1/τ S .
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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.
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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
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Symmetry-breaking intramolecular charge transfer in the excited state of meso-linked BODIPY dyads
Whited, Matthew T.; Patel, Niral M.; Roberts, Sean T.; Allen, Kathryn; Djurovich, Peter I.; Bradforth, Stephen E.; Thompson, Mark E.
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.
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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
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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
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Energy Technology Data Exchange (ETDEWEB)
Rahmi, Kinanti Aldilla, E-mail: kinanti.aldilla@ui.ac.id; Yudiarsah, Efta [Physics Department, FMIPA, Universitas Indonesia, Kampus UI Depok (Indonesia)
2016-04-19
By using tight binding Hamiltonian model, charge transport properties of poly(dA)-poly(dT) DNA in variation of backbone disorder and amplitude of base-pair twisting motion is studied. The DNA chain used is 32 base pairs long poly(dA)-poly(dT) molecule. The molecule is contacted to electrode at both ends. The influence of environment on charge transport in DNA is modeled as variation of backbone disorder. The twisting motion amplitude is taking into account by assuming that the twisting angle distributes following Gaussian distribution function with zero average and standard deviation proportional to square root of temperature and inversely proportional to the twisting motion frequency. The base-pair twisting motion influences both the onsite energy of the bases and electron hopping constant between bases. The charge transport properties are studied by calculating current using Landauer-Buttiker formula from transmission probabilities which is calculated by transfer matrix methods. The result shows that as the backbone disorder increases, the maximum current decreases. By decreasing the twisting motion frequency, the current increases rapidly at low voltage, but the current increases slower at higher voltage. The threshold voltage can increase or decrease with increasing backbone disorder and increasing twisting frequency.
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Alarcos, Noemí; Gutierrez, Mario; Liras, Marta; Sánchez, Félix; Douhal, Abderrazzak
2015-07-07
We report on the steady-state, picosecond and femtosecond time-resolved studies of a charge and proton transfer dye 6-amino-2-(2'-hydroxyphenyl)benzoxazole (6A-HBO) and its methylated derivative 6-amino-2-(2'-methoxyphenyl)benzoxazole (6A-MBO), in different solvents. With femtosecond resolution and comparison with the photobehaviour of 6A-MBO, we demonstrate for 6A-HBO in solution, the photoproduction of an intramolecular charge-transfer (ICT) process at S1 taking place in ∼140 fs or shorter, followed by solvent relaxation in the charge transferred species. The generated structure (syn-enol charge transfer conformer) experiences an excited-state intramolecular proton-transfer (ESIPT) reaction to produce a keto-type tautomer. This subsequent proton motion occurs in 1.2 ps (n-heptane), 14 ps (DCM) and 35 ps (MeOH). In MeOH, it is assisted by the solvent molecules and occurs through tunneling for which we got a large kinetic isotope effect (KIE) of about 13. For the 6A-DBO (deuterated sample in CD3OD) the global proton-transfer reaction takes place in 200 ps, showing a remarkable slow KIE regime. The slow ESIPT reaction in DCM (14 ps), not through tunnelling as it is not sensitive to OH/OD exchange, has however to overcome an energy barrier using intramolecular as well as solvent coordinates. The rich ESIPT dynamics of 6A-HBO in the used solutions is governed by an ICT reaction, triggered by the amino group, and it is solvent dependent. Thus, the charge injection to a 6A-HBO molecular frame makes the ICT species more stable, and the phenol group less acidic, slowing down the subsequent ESIPT reaction. Our findings bring new insights into the coupling between ICT and ESIPT reactions on the potential-energy surfaces of several barriers.
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Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells
Energy Technology Data Exchange (ETDEWEB)
Wu, Qinghe [Department of Chemistry, Key Laboratory for Preparation and Application of Ordered Structural Materials of Guangdong Province, Shantou University, Guangdong 515063, P. R. China; Zhao, Donglin [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Goldey, Matthew B. [Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Filatov, Alexander S. [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Sharapov, Valerii [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Colón, Yamil J. [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Cai, Zhengxu [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States; Chen, Wei [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; de Pablo, Juan [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Galli, Giulia [Institute for Molecular Engineering, Materials Science Division, Argonne National Laboratory, 9700 Cass Avenue, Lemont, Illinois 60439, United States; Institute for Molecular Engineering, The University of Chicago, 5747 South Ellis Avenue, Chicago, Illinois 60637, United States; Yu, Luping [Department of Chemistry, The James Franck Institute, The University of Chicago, 929 E 57th Street, Chicago, Illinois 60637, United States
2018-03-02
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.
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Jana, Sankar; Dalapati, Sasanka; Ghosh, Shalini; Kar, Samiran; Guchhait, Nikhil
2011-07-01
The excited state intramolecular charge transfer process in donor-chromophore-acceptor system 5-(4-dimethylamino-phenyl)-penta-2,4-dienenitrile (DMAPPDN) has been investigated by steady state absorption and emission spectroscopy in combination with Density Functional Theory (DFT) calculations. This flexible donor acceptor molecule DMAPPDN shows dual fluorescence corresponding to emission from locally excited and charge transfer state in polar solvent. Large solvatochromic emission shift, effect of variation of pH and HOMO-LUMO molecular orbital pictures support excited state intramolecular charge transfer process. The experimental findings have been correlated with the calculated structure and potential energy surfaces based on the Twisted Intramolecular Charge Transfer (TICT) model obtained at DFT level using B3LYP functional and 6-31+G( d, p) basis set. The theoretical potential energy surfaces for the excited states have been generated in vacuo and acetonitrile solvent using Time Dependent Density Functional Theory (TDDFT) and Time Dependent Density Functional Theory Polarized Continuum Model (TDDFT-PCM) method, respectively. All the theoretical results show well agreement with the experimental observations.
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DEFF Research Database (Denmark)
Eriksen, J.J.; Sauer, S.P.A.; Mikkelsen, K.V.
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...... the electric dipole moments in the gas phase and for 100 solvent congurations. We find that CAM-B3LYP overestimates the amount of charge separation inherent in the ground state and TDDFT/CAM-B3LYP drastically underestimates this amount in the excited charge-transfer state. As the errors in the solvatochromatic...... to benchmark results of TDDFT calculations with CAM-B3LYP for intramolecular charge{transfer excitations in molecular systems similar to pNA against higher{level ab initio wave function methods, like, e.g., CCSD, prior to their use. Using the calculated change in dipole moment upon excitation as a measure...
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The effect of twisted D–D–π–A configuration on electron transfer and photo-physics characteristics
Liu, Yunpeng; Li, Yuanzuo; Song, Peng; Ma, Fengcai; Yang, Yanhui
2018-05-01
Two D-D-π-A organic dyes (M45, M46) with dithieno[3,2-b:2‧,3‧-d]pyrrole (DTP) units as election donors in two perpendicular directions, were investigated using density functional theory (DFT) and time-dependent DFT. The ground-state geometries, the absorption, the electronic structures, the charge density difference and molecular electrostatic potential were obtained. To simulate a more realistic performance, all calculations were based on gas condition and dichloromethane solvent. Photoelectric parameters were evaluated by the following factors: the light harvesting efficiency, electron injection driving force, the excited lifetime and vertical dipole moment. Meanwhile, the polarisability and hyperpolarisability were investigated to further explain the relationship between non-linear optical properties and efficiency. The direction of the DTP obviously affects the twisted degree of molecule, forming a better coplanarity on the donor 2 of M45, which results in stronger charge transfer interactions. Furthermore, M45 possesses significant advantages in geometric structure, absorption band and intramolecular charge transfer mechanism. These critical parameters supported the higher performance of M45 in comparison with M46. Moreover, four dyes were designed by the substitution of donor 2, which further verify the influence of the twisted donor 2 on electron transfer and photoelectric properties of D-D-π-A configuration.
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On the twist-2 and twist-3 contributions to the spin-dependent electroweak structure functions
International Nuclear Information System (INIS)
Bluemlein, J.; Kochelev, N.
1997-01-01
The twist-2 and twist-3 contributions of the polarized deep-inelastic structure functions are calculated both for neutral and charged current interactions using the operator product expansion in lowest order in QCD. The relations between the different structure functions are determined. New integral relations are derived between the twist-2 contributions of the structure functions g 3 (x,Q 2 ) and g 5 (x,Q 2 ) and between combinations of the twist-3 contributions to the structure functions g 2 (x,Q 2 ) and g 3 (x,Q 2 ). The sum rules for polarized deep-inelastic scattering are discussed in detail. (orig.)
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International Nuclear Information System (INIS)
Thiagarajan, Viruthachalam; Ramamurthy, Perumal
2007-01-01
We present a simple but highly specific acridinedione fluorophore (ADD-1) that acts both as a fluorescent and colorimetric sensor for anions in acetonitrile. The specific optical signalling of ADD-1 is due to the formation of new distinct intramolecular charge transfer (ICT) emitting states in the presence of AcO - (490 nm), H 2 PO 4 - (440 nm), and F - (510 nm) over other anions. Presence of F - shows a colour change that is perceptible to the naked eye, from colourless to an intense fluorescent green due to the deprotonation of acridinedione ring amino hydrogen
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Larocque, Hugo; Kaminer, Ido; Grillo, Vincenzo; Leuchs, Gerd; Padgett, Miles J.; Boyd, Robert W.; Segev, Mordechai; Karimi, Ebrahim
2018-04-01
Electrons have played a significant role in the development of many fields of physics during the last century. The interest surrounding them mostly involved their wave-like features prescribed by the quantum theory. In particular, these features correctly predict the behaviour of electrons in various physical systems including atoms, molecules, solid-state materials, and even in free space. Ten years ago, new breakthroughs were made, arising from the new ability to bestow orbital angular momentum (OAM) to the wave function of electrons. This quantity, in conjunction with the electron's charge, results in an additional magnetic property. Owing to these features, OAM-carrying, or twisted, electrons can effectively interact with magnetic fields in unprecedented ways and have motivated materials scientists to find new methods for generating twisted electrons and measuring their OAM content. Here, we provide an overview of such techniques along with an introduction to the exciting dynamics of twisted electrons.
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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.
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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.
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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
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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.
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Namuangruk, Supawadee; Sirithip, Kanokkorn; Rattanatwan, Rattanawelee; Keawin, Tinnagon; Kungwan, Nawee; Sudyodsuk, Taweesak; Promarak, Vinich; Surakhot, Yaowarat; Jungsuttiwong, Siriporn
2014-06-28
The charge transfer effect of different meso-substituted linkages on porphyrin analogue 1 (A1, B1 and C1) was theoretically investigated using density functional theory (DFT) and time-dependent DFT (TDDFT) calculations. The calculated geometry parameters and natural bond orbital analysis reveal that the twisted conformation between porphyrin macrocycle and meso-substituted linkages leads to blocking of the conjugation of the conjugated backbone, and the frontier molecular orbital plot shows that the intramolecular charge transfer of A1, B1 and C1 hardly takes place. In an attempt to improve the photoinduced intramolecular charge transfer ability of the meso-linked zinc porphyrin sensitizer, a strong electron-withdrawing group (CN) was introduced into the anchoring group of analogue 1 forming analogue 2 (A2, B2 and C2). The density difference plot of A2, B2 and C2 shows that the charge transfer properties dramatically improved. The electron injection process has been performed using TDDFT; the direct charge-transfer transition in the A2-(TiO2)38 interacting system takes place; our results strongly indicated that introducing electron-withdrawing groups into the acceptor part of porphyrin dyes can fine-tune the effective conjugation length of the π-spacer and improve intramolecular charge transfer properties, consequently inducing the electron injection process from the anchoring group of the porphyrin dye to the (TiO2)38 surface which may improve the conversion efficiency of the DSSCs. Our calculated results can provide valuable information and a promising outlook for computation-aided sensitizer design with anticipated good properties in further experimental synthesis.
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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 chlorophyll
a in 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 rubrum G9+ (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 bacteriochlorophylla when they are bound to the light-harvesting 1 apo-proteins. -
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.
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Energy Technology Data Exchange (ETDEWEB)
Ichiyanagi, Kouhei; Sasaki, Yuji C. [Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 609 Kiban Building 5-1-5 Kashiwanoha, Kahiwashi, Chiba 277-8561 (Japan); Japan Science and Technology Agency, CREST, CREST, Sasaki-Team, 609 Kiban Building, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561 (Japan); Sekiguchi, Hiroshi; Hoshino, Masato; Kajiwara, Kentaro; Senba, Yasunori; Ohashi, Haruhiko; Ohta, Noboru [Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan); Hoshisashi, Kentaro; Jae-won, Chang; Tokue, Maki; Matsushita, Yufuku [Department of Advanced Materials Science, Graduate School of Frontier Sciences, The University of Tokyo, 609 Kiban Building 5-1-5 Kashiwanoha, Kahiwashi, Chiba 277-8561 (Japan); Nishijima, Masaki; Inoue, Yoshihisa [Department of Applied Chemistry and Office for University-Industry Collaboration, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Yagi, Naoto [Japan Science and Technology Agency, CREST, CREST, Sasaki-Team, 609 Kiban Building, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8561 (Japan); Japan Synchrotron Radiation Research Institute, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5198 (Japan)
2013-10-15
Diffracted X-ray tracking (DXT) enables the tilting and twisting motions of single protein molecules to be monitored with micro- to milliradian resolution using a highly brilliant X-ray source with a wide energy bandwidth. We have developed a technique to monitor single molecules using gold nanocrystals attached to individual protein molecules using the BL28B2 beamline at SPring-8. In this paper we present the installation of a single toroidal X-ray mirror at BL28B2 to focus X-rays in an energy range of 10–20 keV (△E/E = 82% for an X-ray with a wide energy bandwidth). With this beamline we tracked diffraction spots from gold nanocrystals over a wide angle range than that using quasi-monochromatic X-rays. Application of the wide angle DXT technique to biological systems enabled us to observe the on-site motions of single protein molecules that have been functionalized in vivo. We further extend the capability of DXT by observing the fractional tilting and twisting motions of inner proteins under various conditions. As a proof of this methodology and to determine instrumental performance the intramolecular motions of a human serum albumin complex with 2-anthracenecarboxylic acid was investigated using the BL28B2 beamline. The random tilting and twisting intramolecular motions are shown to be directly linked to the movement of individual protein molecules in the buffer solution.
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Structural and electronic transformation in low-angle twisted bilayer graphene
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.
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Level-rank duality of untwisted and twisted D-branes
International Nuclear Information System (INIS)
Naculich, Stephen G.; Schnitzer, Howard J.
2006-01-01
Level-rank duality of untwisted and twisted D-branes of WZW models is explored. We derive the relation between D0-brane charges of level-rank dual untwisted D-branes of su-bar (N) K and sp-bar (n) k , and of level-rank dual twisted D-branes of su-bar (2n+1) 2k+1 . The analysis of level-rank duality of twisted D-branes of su-bar (2n+1) 2k+1 is facilitated by their close relation to untwisted D-branes of sp-bar (n) k . We also demonstrate level-rank duality of the spectrum of an open string stretched between untwisted or twisted D-branes in each of these cases
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Evidence for excited state intramolecular charge transfer in benzazole-based pseudo-stilbenes.
Santos, Fabiano da Silveira; Descalzo, Rodrigo Roceti; Gonçalves, Paulo Fernando Bruno; Benvenutti, Edilson Valmir; Rodembusch, Fabiano Severo
2012-08-21
Two azo compounds were obtained through the diazotization reaction of aminobenzazole derivatives and N,N-dimethylaniline using clay montmorillonite KSF as catalyst. The synthesized dyes were characterized using elemental analysis, Fourier transform infrared spectroscopy, and (13)C and (1)H NMR spectroscopy in solution. Their photophysical behavior was studied using UV-vis and steady-state fluorescence in solution. These dyes present intense absorption in the blue region. The spectral features of the azo compounds can be related to the pseudo-stilbene type as well as the E isomer of the dyes. Excitation at the absorption maxima does not produce emissive species in the excited state. However, excitation around 350 nm allowed dual emission of fluorescence, from both a locally excited (LE, short wavelength) and an intramolecular charge transfer (ICT, long wavelength) state, which was corroborated by a linear relation of the fluorescence maximum (ν(max)) versus the solvent polarity function (Δf) from the Lippert-Mataga correlation. Evidence of TICT in these dyes was discussed from the viscosity dependence of the fluorescence intensity in the ICT emission band. Theoretical calculations were also performed in order to study the geometry and charge distribution of the dyes in their ground and excited electronic states. Using DFT methods at the theoretical levels BLYP/Aug-cc-pVDZ, for geometry optimizations and frequency calculations, and B3LYP/6-311+G(2d), for single-point energy evaluations, the calculations revealed that the least energetic and most intense photon absorption leads to a very polar excited state that relaxes non-radioactively, which can be associated with photochemical isomerization.
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Twisted boundary states in c=1 coset conformal field theories
International Nuclear Information System (INIS)
Ishikawa, Hiroshi; Yamaguchi, Atsushi
2003-01-01
We study the mutual consistency of twisted boundary conditions in the coset conformal field theory G/H. We calculate the overlap of the twisted boundary states of G/H with the untwisted ones, and show that the twisted boundary states are consistently defined in the charge-conjugation modular invariant. The overlap of the twisted boundary states is expressed by the branching functions of a twisted affine Lie algebra. As a check of our argument, we study the diagonal coset theory so(2n) 1 +so(2n) 1 /so(2n) 2 , which is equivalent to the orbifold S 1 /Z 2 at a particular radius. We construct the boundary states twisted by the automorphisms of the unextended Dynkin diagram of so(2n), and show their mutual consistency by identifying their counterpart in the orbifold. For the triality of so(8), the twisted states of the coset theory correspond to neither the Neumann nor the Dirichlet boundary states of the orbifold and yield conformal boundary states that preserve only the Virasoro algebra. (author)
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Twisted supersymmetry: Twisted symmetry versus renormalizability
International Nuclear Information System (INIS)
Dimitrijevic, Marija; Nikolic, Biljana; Radovanovic, Voja
2011-01-01
We discuss a deformation of superspace based on a Hermitian twist. The twist implies a *-product that is noncommutative, Hermitian and finite when expanded in a power series of the deformation parameter. The Leibniz rule for the twisted supersymmetry transformations is deformed. A minimal deformation of the Wess-Zumino action is proposed and its renormalizability properties are discussed. There is no tadpole contribution, but the two-point function diverges. We speculate that the deformed Leibniz rule, or more generally the twisted symmetry, interferes with renormalizability properties of the model. We discuss different possibilities to render a renormalizable model.
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On reflection algebras and twisted Yangians
International Nuclear Information System (INIS)
Doikou, Anastasia
2005-01-01
It is well known that integrable models associated to rational R matrices give rise to certain non-Abelian symmetries known as Yangians. Analogously boundary symmetries arise when general but still integrable boundary conditions are implemented, as originally argued by Delius, Mackay, and Short from the field theory point of view, in the context of the principal chiral model on the half-line. In the present study we deal with a discrete quantum mechanical system with boundaries, that is the N site gl(n) open quantum spin chain. In particular, the open spin chain with two distinct types of boundary condition known as soliton preserving and soliton nonpreserving is considered. For both types of boundaries we present a unified framework for deriving the corresponding boundary nonlocal charges directly at the quantum level. The nonlocal charges are simply coproduct realizations of particular boundary quantum algebras called boundary or twisted Yangians, depending on the choice of boundary conditions. Finally, with the help of linear intertwining relations between the solutions of the reflection equation and the generators of the boundary or twisted Yangians we are able to exhibit the exact symmetry of the open spin chain, namely we show that a number of the boundary nonlocal charges are in fact conserved quantities
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Electronic and Optical Properties of Twisted Bilayer Graphene
Huang, Shengqiang
symmetry is broken with an external electric field. We observe a double-line profile of these states on the domain walls, only occurring when the AB and BA regions are gaped. These states give rise to channels that could transport charge in a dissipationless manner making twisted bilayer graphene a promising platform to realize controllable topological networks for future applications.
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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.
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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...
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Environment-sensitive behavior of fluorescent molecular rotors
Directory of Open Access Journals (Sweden)
Theodorakis Emmanuel A
2010-09-01
Full Text Available Abstract Molecular rotors are a group of fluorescent molecules that form twisted intramolecular charge transfer (TICT states upon photoexcitation. When intramolecular twisting occurs, the molecular rotor returns to the ground state either by emission of a red-shifted emission band or by nonradiative relaxation. The emission properties are strongly solvent-dependent, and the solvent viscosity is the primary determinant of the fluorescent quantum yield from the planar (non-twisted conformation. This viscosity-sensitive behavior gives rise to applications in, for example, fluid mechanics, polymer chemistry, cell physiology, and the food sciences. However, the relationship between bulk viscosity and the molecular-scale interaction of a molecular rotor with its environment are not fully understood. This review presents the pertinent theories of the rotor-solvent interaction on the molecular level and how this interaction leads to the viscosity-sensitive behavior. Furthermore, current applications of molecular rotors as microviscosity sensors are reviewed, and engineering aspects are presented on how measurement accuracy and precision can be improved.
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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
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Twist limits for late twisting double somersaults on trampoline.
Yeadon, M R; Hiley, M J
2017-06-14
An angle-driven computer simulation model of aerial movement was used to determine the maximum amount of twist that could be produced in the second somersault of a double somersault on trampoline using asymmetrical movements of the arms and hips. Lower bounds were placed on the durations of arm and hip angle changes based on performances of a world trampoline champion whose inertia parameters were used in the simulations. The limiting movements were identified as the largest possible odd number of half twists for forward somersaulting takeoffs and even number of half twists for backward takeoffs. Simulations of these two limiting movements were found using simulated annealing optimisation to produce the required amounts of somersault, tilt and twist at landing after a flight time of 2.0s. Additional optimisations were then run to seek solutions with the arms less adducted during the twisting phase. It was found that 3½ twists could be produced in the second somersault of a forward piked double somersault with arms abducted 8° from full adduction during the twisting phase and that three twists could be produced in the second somersault of a backward straight double somersault with arms fully adducted to the body. These two movements are at the limits of performance for elite trampolinists. Copyright © 2017 Elsevier Ltd. All rights reserved.
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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.
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Separation of minimum and higher twist in photoproduction of high-pT mesons
International Nuclear Information System (INIS)
Apsimon, R.J.; Flower, P.S.; Hallewell, G.; Morris, J.A.G.; Morris, J.V.; Paterson, C.N.; Sharp, P.H.; Atkinson, M.; Brook, N.; Coyle, P.; Dickinson, B.; Donnachie, A.; Doyle, A.T.; Ellison, R.J.; Foster, J.M.; Hughes-Jones, R.E.; Ibbotson, M.; Kolya, S.D.; Lafferty, G.D.; McCann, H.; McManus, C.; Mercer, D.; Ottewell, P.J.; Reid, D.; Thompson, R.J.; Waterhouse, J.; Barberis, D.; Davenport, M.; Eades, J.; Ingelman, G.; McClatchey, R.; Brodbeck, T.J.; Charity, T.; Clegg, A.B.; Henderson, R.C.W.; Hickman, M.T.; Keemer, N.R.; Newton, D.; O'Connor, A.; Wilson, G.W.; Danaher, S.; Galbraith, W.; Thacker, N.A.; Thompson, L.; Diekmann, B.; Gapp, C.; Gebert, F.; Heinloth, K.; Hoeger, K.C.; Holzkamp, A.; Holzkamp, S.; Jakob, H.P.; Joseph, D.; Kingler, J.; Koersgen, G.; Oedingen, R.; Paul, E.; Rotscheidt, H.; Soeldner-Rembold, S.; Weigend, A.S.
1991-01-01
Photo- and hadroproduction data in the beam energy range 65-175 GeV have been studied with a view to isolating higher-twist processes in photoproduction from other point-like and hadron-like contributions. With selection of charged tracks having p T >2 GeV/c and 0.28 F <0.84 indications of a higher twist contribution have been found at a level that is consistent with QCD expectations. (orig.)
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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.
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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)
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Intramolecular Association within the SAFT Framework
DEFF Research Database (Denmark)
Avlund, Ane Søgaard; Kontogeorgis, Georgios; Chapman, Walter G.
2011-01-01
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...... 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...
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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.
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Modelling the effect of nonplanarity on charge transport along conjugated polymer chains
International Nuclear Information System (INIS)
Correia, Helena M.G.; Ramos, Marta M.D.
2007-01-01
Conjugated polymers show interesting properties that make them appropriated for nanoelectronics. Several studies of poly(p-phenylene vinylene) (PPV) have suggested that each polymer chain consists of several planar segments, with conjugation length of nanoscale dimension, linked by twists or kinks. A pronounced twist between two planar segments in a PPV chain not only causes loss of main-chain conjugation but it may also alter electron and hole mobility along the chain, which has further implications for the percolation of charge through the polymer film. We used self-consistent quantum molecular dynamics calculations to provide information on the electric field needed to move the injected charges (either electrons or holes) along the planar segments of PPV and to cross the twist between two planar segments perpendicular to each other. Field-dependent charge mobility was also estimated for conjugated segments of various lengths. Our results suggest that electrons can cross the twist between adjacent planar segments for lower applied electric fields than holes if there is no more than one electronic charge (electron or hole) on the PPV chain, otherwise similar fields are needed
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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
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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
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Wrinkles, loops, and topological defects in twisted ribbons
Chopin, Julien
Nature abounds with elastic ribbon like shapes including double-stranded semiflexible polymers, graphene and metal oxide nanoribbons which are examples of elongated elastic structures with a strongly anisotropic cross-section. Due to this specific geometry, it is far from trivial to anticipate if a ribbon should be considered as a flat flexible filament or a narrow thin plate. We thus perform an experiment in which a thin elastic ribbon is loaded using a twisting and traction device coupled with a micro X-ray computed tomography machine allowing a full 3D shape reconstruction. A wealth of morphological behaviors can be observed including wrinkled helicoids, curled and looped configurations, and faceted ribbons. In this talk, I will show that most morphologies can be understood using a far-from-threshold approach and simple scaling arguments. Further, we find that the various shapes can be organized in a phase diagram using the twist, the tension, and the geometry of the ribbon as control parameters. Finally, I will discuss the spontaneous formation of topological defects with negatively-signed Gaussian charge at large twist and small but finite stretch.
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Naked eye picometer resolution in a Michelson interferometer using conjugated twisted beams.
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.
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Optical twists in phase and amplitude
DEFF Research Database (Denmark)
Daria, Vincent R.; Palima, Darwin; Glückstad, Jesper
2011-01-01
where both phase and amplitude express a helical profile as the beam propagates in free space. Such a beam can be accurately referred to as an optical twister. We characterize optical twisters and demonstrate their capacity to induce spiral motion on particles trapped along the twisters’ path. Unlike LG...... beams, the far field projection of the twisted optical beam maintains a high photon concentration even at higher values of topological charge. Optical twisters have therefore profound applications to fundamental studies of light and atoms such as in quantum entanglement of the OAM, toroidal traps...
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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.
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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.
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Liang, Xiao; Xu, Xiaoyi; Qiao, Dan; Yin, Zheng; Shang, Luqing
2017-12-14
A dual-mechanism intramolecular charge transfer (ICT)-FRET fluorescent probe for the selective detection of H 2 O 2 in living cells has been designed and synthesized. This probe used a coumarin-naphthalimide hybrid as the FRET platform and a boronate moiety as the recognition group. Upon the addition of H 2 O 2 , the probe exhibited a redshifted (73 nm) fluorescence emission, and the ratio of fluorescence intensities at λ=558 and 485 nm (F 558 /F 485 ) shifted notably (up to 100-fold). Moreover, there was a good linearity (R 2 =0.9911) between the ratio and concentration of H 2 O 2 in the range of 0 to 60 μm, with a limit of detection of 0.28 μm (signal to noise ratio (S/N)=3). This probe could also detect enzymatically generated H 2 O 2 . Importantly, it could be used to visualize endogenous H 2 O 2 produced by stimulation from epidermal growth factor. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Somasundaram, Sivaraman; Kamaraj, Eswaran; Hwang, Su Jin; Park, Sanghyuk
2018-02-01
Imidazole-based excited state intramolecular proton transfer (ESIPT) blue fluorescent molecules, 2-(1-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Cl) and 2-(1-(4-bromophenyl)-4,5-diphenyl-1H-imidazol-2-yl)phenol (BHPI-Br) were designed and synthesized by Debus-Radziszewski method through a one-pot multicomponent reaction in high yield. The synthesized compounds were fully characterized by 1H NMR, 13C NMR, FT-IR, FT-Raman, GC-Mass, and elemental analysis. The molecular structures in single crystal lattice were studied by X-ray crystallographic analysis. Because of the intramolecular hydrogen bonding, hydroxyphenyl group is planar to the central imidazole ring, while the other phenyl rings gave distorted conformations to the central heterocyclic ring. BHPI-Cl and BHPI-Br molecules showed intense ESIPT fluorescence at 480 nm, because the two twisted phenyl rings on 4- and 5-positions have reduced intermolecular interaction between adjacent molecules in each crystal through a head-to-tail packing manner. Quantum chemical calculations of energies were carried out by (TD-)DFT using B3LYP/6-31G(d, p) basis set to predict the electronic absorption spectra of the compounds, and they showed good agreement between the computational and the experimental values. The thermal analyses of the synthesized molecules were also carried out by TGA/DSC method.
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Localized topological states in Bragg multihelicoidal fibers with twist defects
Alexeyev, C. N.; Lapin, B. P.; Milione, G.; Yavorsky, M. A.
2016-06-01
We have studied the influence of a twist defect in multihelicoidal Bragg fibers on the emerging of localized defect modes. We have shown that if such a fiber is excited with a Gaussian beam this leads to the appearance of a defect-localized topological state, whose topological charge coincides with the order of rotational symmetry of the fiber's refractive index. We have shown that this effect has a pronounced crossover behavior. We have also formulated a principle of creating the systems that can nestle defect-localized topologically charged modes. According to this principle, such systems have to possess topological activity, that is, the ability to change the topological charge of the incoming field, and operate in the Bragg regime.
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Twisted boundary states and representation of generalized fusion algebra
International Nuclear Information System (INIS)
Ishikawa, Hiroshi; Tani, Taro
2006-01-01
The mutual consistency of boundary conditions twisted by an automorphism group G of the chiral algebra is studied for general modular invariants of rational conformal field theories. We show that a consistent set of twisted boundary states associated with any modular invariant realizes a non-negative integer matrix representation (NIM-rep) of the generalized fusion algebra, an extension of the fusion algebra by representations of the twisted chiral algebra associated with the automorphism group G. We check this result for several concrete cases. In particular, we find that two NIM-reps of the fusion algebra for su(3) k (k=3,5) are organized into a NIM-rep of the generalized fusion algebra for the charge-conjugation automorphism of su(3) k . We point out that the generalized fusion algebra is non-commutative if G is non-Abelian and provide some examples for G-bar S 3 . Finally, we give an argument that the graph fusion algebra associated with simple current extensions coincides with the generalized fusion algebra for the extended chiral algebra, and thereby explain that the graph fusion algebra contains the fusion algebra of the extended theory as a subalgebra
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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.
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Sun, Mingtai; Du, Libo; Yu, Huan; Zhang, Kui; Liu, Yang; Wang, Suhua
2017-01-01
It is crucial to monitor intracellular pH values and their fluctuation since the organelles of cells have different pH distribution. Herein we construct a new small molecule fluorescent probe HBT-O for monitoring the subtle pH values within the scope of neutral to acid in living cells. The probe exhibited good water solubility, a marked turquoise to olivine emission color change in response to pH, and tremendous fluorescence hypochromatic shift of ∼50nm (1718cm -1 ) as well as the increased fluorescence intensity when the pH value changed from neutral to acid. Thus, the probe HBT-O can distinguish the subtle changes in the range of normal pH values from neutral to acid with significant fluorescence changes. These properties can be attributed to the intramolecular charge transfer (ICT) process of the probe upon protonation in buffer solutions at varied pH values. Moreover, the probe was reversible and nearly non-toxic for living cells. Then the probe was successfully used to detect pH fluctuation in living cells by exhibiting different fluorescence colors and intensity. These findings demonstrate that the probe will find useful applications in biology and biomedical research. Copyright © 2016 Elsevier B.V. All rights reserved.
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Safko, Trevor M; Faleiros, Marcelo M; Atvars, Teresa D Z; Weiss, Richard G
2016-06-16
An intramolecular exciplex-mediated, proton-coupled, charge-transfer (PCCT) process has been investigated for a series of N,N-dimethyl-3-(1-pyrenyl)propan-1-ammonium cations with different anions (PyS) in solvents of low to intermediate polarity over a wide temperature range. Solvent mediates both the equilibrium between conformations of the cation that place the pyrenyl and ammonium groups in proximity (conformation C) or far from each other (conformation O) and the ability of the ammonium group to transfer a proton adiabatically in the PyS excited singlet state. Thus, exciplex emission, concurrent with the PCCT process, was observed only in hydrogen-bond accepting solvents of relatively low polarity (tetrahydrofuran, ethyl acetate, and 1,4-dioxane) and not in dichloromethane. From the exciplex emission and other spectroscopic and thermodynamic data, the acidity of the ammonium group in conformation C of the excited singlet state of PyS (pKa*) has been estimated to be ca. -3.4 in tetrahydrofuran. The ratios between the intensities of emission from the exciplex and the locally excited state (IEx/ILE) appear to be much more dependent on the nature of the anion than are the rates of exciplex formation and decay, although the excited state data do not provide a quantitative measure of the anion effect on the C-O equilibrium. The activation energies associated with exciplex formation in THF are calculated to be 0.08 to 0.15 eV lower than for the neutral amine, N,N-dimethyl-3-(1-pyrenyl)propan-1-amine. Decay of the exciplexes formed from the deprotonation of PyS is hypothesized to occur through charge-recombination processes. To our knowledge, this is the first example in which photoacidity and intramolecular exciplex formation (i.e., a PCCT reaction) are coupled.
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Lattice study of D and D{sub s} meson form factors with twisted boundary conditions
Energy Technology Data Exchange (ETDEWEB)
Li, Ning; Wu, Ya-Jie [Xi' an Technological University, School of Science, Xi' an (China)
2017-03-15
We present results on the D and D{sub s} meson electromagnetic form factors using N{sub f} = 2 twisted mass Lattice Quantum Chromodynamics (LQCD) gauge configurations. In this simulation, to access spatial components of momenta that are different from the integer multiples of 2π/L, we apply twisted boundary conditions to compute corresponding correlation functions. Electromagnetic form factors with more small four-momentum transfer are determined, and further we fit the electromagnetic charge radius for D and D{sub s} mesons, respectively. (orig.)
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Twisted network programming essentials
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
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International Nuclear Information System (INIS)
Paul, Bijan Kumar; Guchhait, Nikhil
2011-01-01
Here, we report a Density Functional Theoretical (DFT) study on the photophysics of a potent Excited-State Intramolecular Proton Transfer (ESIPT) molecular system, viz., 10-hydroxybenzo[h]quinoline (HBQ). Particular emphasis has been rendered on the assessment of the proton transfer reaction in HBQ in the ground and excited-states through elucidation and a careful perusal of the potential energy surfaces (PES). The non-viability of Ground-State Intramolecular Proton Transfer (GSIPT) process is dictated by a high-energy barrier coupled with no energy minimum for the proton transferred (K-form) form at the ground-state (S 0 ) PES. Remarkable reduction of the barrier along with thermodynamic stability inversion between the enol (E-form) and the keto forms (K-form) of HBQ upon photoexcitation from S 0 to the S 1 -state advocate for the operation of ESIPT process. These findings have been cross-validated on the lexicon of analysis of optimized geometry parameters, Mulliken's charge distribution on the heavy atoms, and molecular orbitals (MO) of the E- and the K-forms of HBQ. Our computational results also corroborate to experimental observations. From the modulations in optimized geometry parameters in course of the PT process a critical assessment has been endeavoured to delve into the movement of the proton during the process. Additional stress has been placed on the analysis of the intramolecular hydrogen bonding (IMHB) interaction in HBQ. The IMHB interaction has been explored by calculation of electron density ρ(r) and the Laplacian ∇ 2 ρ(r) at the bond critical point (BCP) using Atoms-In-Molecule (AIM) method and by calculation of interaction between σ* of OH with the lone pair of the nitrogen atom using Natural Bond Orbital (NBO) analysis. - Highlights: → Theoretical modelling of the photophysics of an ESIPT probe 10-hydroxybenzo[h]quinoline (HBQ). → Calculation of intramolecular hydrogen bond (IMHB) energy. → Role of hyperconjugative charge transfer
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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
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International Nuclear Information System (INIS)
Fayed, Tarek A.
2006-01-01
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 (Δμ 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 2+ , Cd 2+ and Hg 2+ . This was concluded from the high acidochromic and metallochromic behaviour of DMAC on adding such cations to its acetonitrile solutions
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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.
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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.
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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.)
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International Nuclear Information System (INIS)
Mantry, Sonny; Ramsey-Musolf, Michael J.; Sacco, Gian Franco
2010-01-01
We show that parity-violating deep-inelastic scattering (PVDIS) of longitudinally polarized electrons from deuterium can in principle be a relatively clean probe of higher twist quark-quark correlations beyond the parton model. As first observed by Bjorken and Wolfenstein, the dominant contribution to the electron polarization asymmetry, proportional to the axial vector electron coupling, receives corrections at twist four from the matrix element of a single four-quark operator. We reformulate the Bjorken-Wolfenstein argument in a matter suitable for the interpretation of experiments planned at the Thomas Jefferson National Accelerator Facility (JLab). In particular, we observe that because the contribution of the relevant twist-four operator satisfies the Callan-Gross relation, the ratio of parity-violating longitudinal and transverse cross sections, R γZ , is identical to that for purely electromagnetic scattering, R γ , up to perturbative and power-suppressed contributions. This result simplifies the interpretation of the asymmetry in terms of other possible novel hadronic and electroweak contributions. We use the results of MIT Bag Model calculations to estimate contributions of the relevant twist-four operator to the leading term in the asymmetry as a function of Bjorken x and Q 2 . We compare these estimates with possible leading twist corrections from violation of charge symmetry in the parton distribution functions.
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Energy Technology Data Exchange (ETDEWEB)
Meyer, M.; Mialocq, J.C.; Perly, B. (CNRS, Gif-sur-Yvette (France))
1990-01-11
The photoexcitation of 4-(dicyanomethylene)-2-methyl-6-(p-(dimethylamino)styryl)-4H-pyran (DCM) induces a large intramolecular charge transfer (ICT) from the dimethylamino electron-donor group to the dicyanomethylene acceptor group. The dramatic effect of the solvent polarity on the absorption and fluorescence spectra on the one hand and the competition between the nonradiative S{sub 1} {yields} S{sub 0} deactivation and trans {yields} cis isomerization processes on the other hand has been examined. Our results clearly show that DCM isomerization efficiency is very low in the more polar solvents. The S{sub 1} {yields} S{sub 0} internal conversion may intervene at a torsional angle smaller than 90{degree} before reaching the perpendicular configuration.
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Generalised twisted partition functions
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.
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Pradhan, Tuhin; Ghoshal, Piue; Biswas, Ranjit
2008-02-07
The excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) has been studied in water-tertiary butanol (TBA) mixtures at different alcohol mole fractions by using steady state and time-resolved fluorescence spectroscopy. The ratio between the areas under the locally excited (LE) and charge transferred (CT) emission bands is found to exhibit a sharp rise at alcohol mole fraction approximately 0.04, a value at which several thermodynamic properties of this mixture is known to show anomalous change due to the enhancement of H-bonding network. The radiative rate associated with the LE emission also shows a maximum at this TBA mole fraction. Although the structural transition from the water-like tetrahedral network to the alcohol-like chain is reflected in the red shift of the absorption spectrum up to TBA mole fraction approximately 0.10, the emission bands (both LE and CT) show the typical nonideal alcohol mole fraction dependence at all TBA mole fractions. Quantum yield, CT radiative rate as well as transition moments also exhibit a nonideal alcohol mole fraction dependence. The time-resolved emission decay of P4C has been found to be biexponential at all TBA mole fractions, regardless of emission collection around either the LE or the CT bands. The time constant associated with the slow component (tau(slow)) shows a minimum at TBA mole fraction approximately 0.04, whereas such a minimum for the fast time constant, tau(fast) (representing the rate of LE --> CT conversion reaction) is not observed. The nonobservation of the minimum in tau(fast) might be due to the limited time resolution employed in our experiments.
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Twist-stretch profiles of DNA chains
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.
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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)
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Some exact computations on the twisted butterfly state in string field theory
International Nuclear Information System (INIS)
Okawa, Yuji
2004-01-01
The twisted butterfly state solves the equation of motion of vacuum string field theory in the singular limit. The finiteness of the energy density of the solution is an important issue, but possible conformal anomaly resulting from the twisting has prevented us from addressing this problem. We present a description of the twisted regulated butterfly state in terms of a conformal field theory with a vanishing central charge which consists of the ordinary bc ghosts and a matter system with c=26. Various quantities relevant to vacuum string field theory are computed exactly using this description. We find that the energy density of the solution can be finite in the limit, but the finiteness depends on the sub leading structure of vacuum string field theory. We further argue, contrary to our previous expectation, that contributions from sub leading terms in the kinetic term to the energy density can be of the same order as the contribution from the leading term which consists of the midpoint ghost insertion. (author)
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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 unus......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......, associated with an excited-state intramolecular proton transfer process....
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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
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Nucleon form factors with NF=2 twisted mass fermions
International Nuclear Information System (INIS)
Alexandrou, C.; Korzec, T.; Brinet, M.; Carbonell, J.; Harraud, P.A.; Jansen, K.
2009-10-01
We present results on the electromagnetic and axial nucleon form factors using two degenerate flavors of twisted mass fermions on lattices of spatial size 2.1 fm and 2.7 fm and a lattice spacing of about 0.09 fm. We consider pion masses in the range of 260-470MeV.We chirally extrapolate results on the nucleon axial charge, the isovector Dirac and Pauli root mean squared radii and magnetic moment to the physical point and compare to experiment. (orig.)
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TEK twisted gradient flow running coupling
Pérez, Margarita García; Keegan, Liam; Okawa, Masanori
2014-01-01
We measure the running of the twisted gradient flow coupling in the Twisted Eguchi-Kawai (TEK) model, the SU(N) gauge theory on a single site lattice with twisted boundary conditions in the large N limit.
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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.
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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.)
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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.
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Charge orders in organic charge-transfer salts
International Nuclear Information System (INIS)
Kaneko, Ryui; Valentí, Roser; Tocchio, Luca F; Becca, Federico
2017-01-01
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ -(BEDT-TTF) 2 Cu[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. (paper)
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Google and the "Twisted Cyber Spy" Affair: US-Chinese Communication in an Age of Globalization
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…
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Partial twisting for scalar mesons
International Nuclear Information System (INIS)
Agadjanov, Dimitri; Meißner, Ulf-G.; Rusetsky, Akaki
2014-01-01
The possibility of imposing partially twisted boundary conditions is investigated for the scalar sector of lattice QCD. According to the commonly shared belief, the presence of quark-antiquark annihilation diagrams in the intermediate state generally hinders the use of the partial twisting. Using effective field theory techniques in a finite volume, and studying the scalar sector of QCD with total isospin I=1, we however demonstrate that partial twisting can still be performed, despite the fact that annihilation diagrams are present. The reason for this are delicate cancellations, which emerge due to the graded symmetry in partially quenched QCD with valence, sea and ghost quarks. The modified Lüscher equation in case of partial twisting is given
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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 ...
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Modeling and control of active twist aircraft
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.
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Beams made of twisted atoms: A theoretical analysis
Energy Technology Data Exchange (ETDEWEB)
Hayrapetyan, Armen [Physikalisches Institut, Ruprecht-Karls-Universitaet Heidelberg, 69120 Heidelberg (Germany); Matula, Oliver [Physikalisches Institut, Ruprecht-Karls-Universitaet Heidelberg, 69120 Heidelberg (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Surzhykov, Andrey [Helmholtz-Institut Jena, 07743 Jena (Germany); Fritzsche, Stephan [Helmholtz-Institut Jena, 07743 Jena (Germany); Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universitaet Jena, 07743 Jena (Germany)
2014-07-01
We have analyzed Bessel beams of two-level atoms that are driven by a linearly polarized laser light. Based on the Schroedinger equation for two-level systems, we first determine the states of two-level atoms in a plane-wave field by taking into account propagation directions both of the atom and the field. For such laser-driven two-level atoms, we construct Bessel beams by going beyond the typical paraxial approximation. In particular, we show that the probability density of these atomic beams exhibits a non-trivial, Bessel-squared-type behavior. The profile of such twisted atoms is affected by atom and laser parameters, such as the nuclear charge, atom velocity, laser frequency, and propagation geometry of the atom and laser beams. Moreover, we spatially and temporally characterize the beam of hydrogen and selected (neutral) alkali-metal atoms that carry non-zero orbital angular momentum (OAM). The proposed spatiotemporal Bessel states (i) are able to describe twisted states of any two-level system which is driven by the radiation field and (ii) have potential applications in atomic and nuclear processes as well as in quantum communication.
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Teaching Spatial Awareness for Better Twisting Somersaults.
Hennessy, Jeff T.
1985-01-01
The barani (front somersault with one-half twist) and the back somersault with one twist are basic foundation skills necessary for more advanced twisting maneuvers. Descriptions of these movements on a trampoline surface are offered. (DF)
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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.
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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
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Twist deformations of the supersymmetric quantum mechanics
Energy Technology Data Exchange (ETDEWEB)
Castro, P.G.; Chakraborty, B.; Toppan, F., E-mail: pgcastro@cbpf.b, E-mail: biswajit@bose.res.i, E-mail: toppan@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Kuznetsova, Z., E-mail: zhanna.kuznetsova@ufabc.edu.b [Universidade Federal do ABC (UFABC), Santo Andre, SP (Brazil)
2009-07-01
The N-extended supersymmetric quantum mechanics is deformed via an abelian twist which preserves the super-Hopf algebra structure of its universal enveloping superalgebra. Two constructions are possible. For even N one can identify the 1D N-extended superalgebra with the fermionic Heisenberg algebra. Alternatively, supersymmetry generators can be realized as operators belonging to the Universal Enveloping Superalgebra of one bosonic and several fermionic oscillators. The deformed system is described in terms of twisted operators satisfying twist deformed (anti)commutators. The main differences between an abelian twist defined in terms of fermionic operators and an abelian twist defined in terms of bosonic operators are discussed. (author)
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Ten helical twist angles of B-DNA
Energy Technology Data Exchange (ETDEWEB)
Kabsch, W; Sander, C; Trifonov, E N
1982-01-01
On the assumption that the twist angles between adjacent base-pairs in the DNA molecule are additive a linear system of 40 equations was derived from experimental measurements of the total twist angles for different pieces of DNA of known sequences. This system of equations is found to be statistically consistent providing a solution for all ten possible twist angles of B-DNA by a least squares fitting procedure. Four of the calculated twist angles were not known before. The other six twist angles calculated are very close to the experimentally measured ones. The data used were obtained by the electrophoretic band-shift method, crystallography and nuclease digestion of DNA adsorbed to mica or Ca-phosphate surface. The validity of the principle of additivity of the twist angles implies that the angle between any particular two base-pairs is a function of only these base-pairs, independent of nearest neighbors.
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Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru
2018-05-08
We herein report a newly synthesized simple molecule, named TPE[double bond, length as m-dash]C4, with twisted D-A structure. TPE[double bond, length as m-dash]C4 showed two intrinsic emission bands ascribed to the locally excited (LE) state and the intramolecular charge transfer (ICT) state, respectively. In the crystal state, the LE emission band is usually observed. However, by applying hydrostatic pressure to the powder sample and the single crystal sample of TPE[double bond, length as m-dash]C4, dual-fluorescence (445 nm and 532 nm) was emerged under high pressure, owing to the pressure-induced emission band separation of the hybridized local and charge transfer excited state (HLCT). It is found that the emission of TPE[double bond, length as m-dash]C4 is generally determined by the ratio of the LE state to the ICT state. The ICT emission band is much more sensitive to the external pressure than the LE emission band. The HLCT state leads to a sample with different responsiveness to grinding and hydrostatic pressure. This study is of significance in the molecular design of such D-A type molecules and in the control of photoluminescence features by molecular structure. Such results are expected to pave a new way to further understand the relationship between the D-A molecular structure and stimuli-responsive properties.
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Maximally twisted mass lattice QCD at the physical pion mass
International Nuclear Information System (INIS)
Kostrzewa, Bartosz
2016-01-01
In computer simulations of Lattice Quantum Chromodynamics, the usage of unphysically large quark masses and the subsequent extrapolation of results to the physical value of the quark masses are major sources of systematic uncertainty. In this thesis, the feasibility and practicality of numerical simulations of Quantum Chromodynamics with physically light up and down quarks using the Wilson twisted mass quark discretisation are explored. Working in this regime is complicated firstly by the numerical expense of these simulations and secondly by the presence of potentially large lattice artefacts. The twisted mass discretisation is affected by an unphysical mass difference between the charged and neutral pions, rendering simulations at the physical charged pion mass infeasible if this mass splitting is too large. With the aim of reducing it, the Sheikholeslami-Wohlert term is added to the twisted mass fermion action and simulations with mass degenerate up and down quarks are then performed as a proof of concept. It is demonstrated that these simulations are stable and that the parameters of the lattice theory can be successfully tuned to correspond to the physical charged pion mass. Subsequently, the parameter tuning for simulations with mass degenerate up and down quarks as well as strange and charm quarks is explored and it is shown that it can be carried out in steps. As benchmark observables, the masses and decay constants of pseudoscalar mesons with light, strange and charm valence quarks are calculated and seen to largely reproduce their phenomenological values, even though continuum and infinite volume extrapolations are not performed. Light, strange and charm quark mass estimates are determined based on this data and also seen to coincide with phenomenological and other lattice determinations. In this analysis, a particular emphasis is placed on the systematic error due to the choice of fit range for pseudoscalar correlation functions and a weighting method is
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Twisted electron-acoustic waves in plasmas
International Nuclear Information System (INIS)
Aman-ur-Rehman; Ali, S.; Khan, S. A.; Shahzad, K.
2016-01-01
In the paraxial limit, a twisted electron-acoustic (EA) wave is studied in a collisionless unmagnetized plasma, whose constituents are the dynamical cold electrons and Boltzmannian hot electrons in the background of static positive ions. The analytical and numerical solutions of the plasma kinetic equation suggest that EA waves with finite amount of orbital angular momentum exhibit a twist in its behavior. The twisted wave particle resonance is also taken into consideration that has been appeared through the effective wave number q_e_f_f accounting for Laguerre-Gaussian mode profiles attributed to helical phase structures. Consequently, the dispersion relation and the damping rate of the EA waves are significantly modified with the twisted parameter η, and for η → ∞, the results coincide with the straight propagating plane EA waves. Numerically, new features of twisted EA waves are identified by considering various regimes of wavelength and the results might be useful for transport and trapping of plasma particles in a two-electron component plasma.
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Ito, Tadashi; Nishiuchi, Emi; Fukuhara, Gaku; Inoue, Yoshihisa; Mori, Tadashi
2011-09-01
A series of 4-aryl-1,1-dicyanobutenes (1a-1f) with different substituents were synthesized to control the intramolecular donor-acceptor or charge-transfer (C-T) interactions in the ground state. Photoexcitation of these C-T substrates led to competitive cyclization and rearrangement, the ratio being critically controlled by various environmental factors, such as solvent polarity, temperature and static pressure, and also by excitation wavelength and supramolecular confinement (polyethylene voids). In non-polar solvents, the rearrangement was dominant (>10 : 1) for all examined substrates, while the cyclization was favoured in polar solvents, in particular at low temperatures. Selective excitation at the C-T band further enhanced the cyclization up to >50 : 1 ratios. More importantly, the cyclization/rearrangement ratio was revealed to be a linear function of the C-T transition energy. However, the substrates with a sterically demanding or highly electron-donating substituent failed to give the cyclization product.
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Omidyan, Reza; Iravani, Maryam
2016-11-01
The MP2/CC2 and CASSCF theoretical approaches have been employed to determine the excited state proton transfer and photophysical nature of the four organic compounds, having the main frame of hydroxyphenyl-imidzaopyridine (HPIP). The nitrogen insertion effect, in addition to amine (-NH2) substitution has been investigated extensively by following the transition energies and deactivation pathways of resulted HPIP derivatives. It has been predicted that the excited state intramolecular proton transfer with or without small barrier is the most important feature of these compounds. Also, for all of the considered HPIP derivatives, a conical intersection (CI) between ground and the S1 excited state has been predicted. The strong non-adiabatic coupling in the CI (S1/S0), drives the system back to the ground state in which the proton may either return to the phenoxy unit and thus close the photocycle, or the system can continue the twisting motion that results in formation of a γ-photochromic species. This latter species can be responsible for photochromism of HPIP derivative systems.
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Remarks on twisted noncommutative quantum field theory
Energy Technology Data Exchange (ETDEWEB)
Zahn, J. [Hamburg Univ. (Germany). 2. Inst. fuer Theoretische Physik
2006-04-15
We review recent results on twisted noncommutative quantum field theory by embedding it into a general framework for the quantization of systems with a twisted symmetry. We discuss commutation relations in this setting and show that the twisted structure is so rigid that it is hard to derive any predictions, unless one gives up general principles of quantum theory. It is also shown that the twisted structure is not responsible for the presence or absence of UV/IR-mixing, as claimed in the literature. (Orig.)
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Slow wave structures using twisted waveguides for charged particle applications
Kang, Yoon W.; Fathy, Aly E.; Wilson, Joshua L.
2012-12-11
A rapidly twisted electromagnetic accelerating structure includes a waveguide body having a central axis, one or more helical channels defined by the body and disposed around a substantially linear central axial channel, with central portions of the helical channels merging with the linear central axial channel. The structure propagates electromagnetic waves in the helical channels which support particle beam acceleration in the central axial channel at a phase velocity equal to or slower than the speed of light in free space. Since there is no variation in the shape of the transversal cross-section along the axis of the structure, inexpensive mechanical fabrication processes can be used to form the structure, such as extrusion, casting or injection molding. Also, because the field and frequency of the resonant mode depend on the whole structure rather than on dimensional tolerances of individual cells, no tuning of individual cells is needed. Accordingly, the overall operating frequency may be varied with a tuning/phase shifting device located outside the resonant waveguide structure.
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Morphing wing structure with controllable twist based on adaptive bending-twist coupling
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.
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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)
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Conical twist fields and null polygonal Wilson loops
Castro-Alvaredo, Olalla A.; Doyon, Benjamin; Fioravanti, Davide
2018-06-01
Using an extension of the concept of twist field in QFT to space-time (external) symmetries, we study conical twist fields in two-dimensional integrable QFT. These create conical singularities of arbitrary excess angle. We show that, upon appropriate identification between the excess angle and the number of sheets, they have the same conformal dimension as branch-point twist fields commonly used to represent partition functions on Riemann surfaces, and that both fields have closely related form factors. However, we show that conical twist fields are truly different from branch-point twist fields. They generate different operator product expansions (short distance expansions) and form factor expansions (large distance expansions). In fact, we verify in free field theories, by re-summing form factors, that the conical twist fields operator product expansions are correctly reproduced. We propose that conical twist fields are the correct fields in order to understand null polygonal Wilson loops/gluon scattering amplitudes of planar maximally supersymmetric Yang-Mills theory.
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Intramolecular hydrogen bonding in malonaldehyde and its radical analogues.
Lin, Chen; Kumar, Manoj; Finney, Brian A; Francisco, Joseph S
2017-09-28
High level Brueckner doubles with triples correction method-based ab initio calculations have been used to investigate the nature of intramolecular hydrogen bonding and intramolecular hydrogen atom transfer in cis-malonaldehyde (MA) and its radical analogues. The radicals considered here are the ones that correspond to the homolytic cleavage of C-H bonds in cis-MA. The results suggest that cis-MA and its radical analogues, cis-MA RS , and cis-MA RA , both exist in planar geometry. The calculated intramolecular O-H⋯O=C bond in cis-MA is shorter than that in the radical analogues. The intramolecular hydrogen bond in cis-MA is stronger than in its radicals by at least 3.0 kcal/mol. The stability of a cis-malonaldehyde radical correlates with the extent of electron spin delocalization; cis-MA RA , in which the radical spin is more delocalized, is the most stable MA radical, whereas cis-MA RS , in which the radical spin is strongly localized, is the least stable radical. The natural bond orbital analysis indicates that the intramolecular hydrogen bonding (O⋯H⋯O) in cis-malonaldehyde radicals is stabilized by the interaction between the lone pair orbitals of donor oxygen and the σ * orbital of acceptor O-H bond (n → σ * OH ). The calculated barriers indicate that the intramolecular proton transfer in cis-MA involves 2.2 kcal/mol lower barrier than that in cis-MA RS .
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Renormalization constants for 2-twist operators in twisted mass QCD
International Nuclear Information System (INIS)
Alexandrou, C.; Constantinou, M.; Panagopoulos, H.; Stylianou, F.; Korzec, T.
2011-01-01
Perturbative and nonperturbative results on the renormalization constants of the fermion field and the twist-2 fermion bilinears are presented with emphasis on the nonperturbative evaluation of the one-derivative twist-2 vector and axial-vector operators. Nonperturbative results are obtained using the twisted mass Wilson fermion formulation employing two degenerate dynamical quarks and the tree-level Symanzik improved gluon action. The simulations have been performed for pion masses in the range of about 450-260 MeV and at three values of the lattice spacing a corresponding to β=3.9, 4.05, 4.20. Subtraction of O(a 2 ) terms is carried out by performing the perturbative evaluation of these operators at 1-loop and up to O(a 2 ). The renormalization conditions are defined in the RI ' -MOM scheme, for both perturbative and nonperturbative results. The renormalization factors, obtained for different values of the renormalization scale, are evolved perturbatively to a reference scale set by the inverse of the lattice spacing. In addition, they are translated to MS at 2 GeV using 3-loop perturbative results for the conversion factors.
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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...
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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
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Koo, Chi-Kin; Wong, Ka-Leung; Lau, Kai-Cheung; Wong, Wai-Yeung; Lam, Michael Hon-Wah
2009-08-03
The bis(diphenylphosphino)methane (dppm)-bridged dinuclear cycloplatinated complex {[Pt(L)](2)(mu-dppm)}(2+) (Pt(2)dppm; HL: 2-phenyl-6-(1H-pyrazol-3-yl)-pyridine) demonstrates interesting reversible "pivot-hinge"-like intramolecular motions in response to the protonation/deprotonation of L. In its protonated "closed" configuration, the two platinum(II) centers are held in position by intramolecular d(8)-d(8) Pt-Pt interaction. In its deprotonated "open" configuration, such Pt-Pt interaction is cleaved. To further understand the mechanism behind this hingelike motion, an analogous dinuclear cycloplatinated complex, {[Pt(L)](2)(mu-dchpm)}(2+) (Pt(2)dchpm) with bis(dicyclohexylphosphino)methane (dchpm) as the bridging ligand, was synthesized. From its protonation/deprotonation responses, it was revealed that aromatic pi-pi interactions between the phenyl moieties of the mu-dppm and the deprotonated pyrazolyl rings of L was essential to the reversible cleavage of the intramolecular Pt-Pt interaction in Pt(2)dppm. In the case of Pt(2)dchpm, spectroscopic and spectrofluorometric titrations as well as X-ray crystallography indicated that the distance between the two platinum(II) centers shrank upon deprotonation, thus causing a redshift in its room-temperature triplet metal-metal-to-ligand charge-transfer emission from 614 to 625 nm. Ab initio calculations revealed the presence of intramolecular hydrogen bonding between the deprotonated and negatively charged 1-pyrazolyl-N moiety and the methylene CH and phenyl C-H of the mu-dppm. The "open" configuration of the deprotonated Pt(2)dppm was estimated to be 19 kcal mol(-1) more stable than its alternative "closed" configuration. On the other hand, the open configuration of the deprotonated Pt(2)dchpm was 6 kcal mol(-1) less stable than its alternative closed configuration.
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Transverse kink oscillations in the presence of twist
Terradas, J.; Goossens, M.
2012-12-01
Context. Magnetic twist is thought to play an important role in coronal loops. The effects of magnetic twist on stable magnetohydrodynamic (MHD) waves is poorly understood because they are seldom studied for relevant cases. Aims: The goal of this work is to study the fingerprints of magnetic twist on stable transverse kink oscillations. Methods: We numerically calculated the eigenmodes of propagating and standing MHD waves for a model of a loop with magnetic twist. The azimuthal component of the magnetic field was assumed to be small in comparison to the longitudinal component. We did not consider resonantly damped modes or kink instabilities in our analysis. Results: For a nonconstant twist the frequencies of the MHD wave modes are split, which has important consequences for standing waves. This is different from the degenerated situation for equilibrium models with constant twist, which are characterised by an azimuthal component of the magnetic field that linearly increases with the radial coordinate. Conclusions: In the presence of twist standing kink solutions are characterised by a change in polarisation of the transverse displacement along the tube. For weak twist, and in the thin tube approximation, the frequency of standing modes is unaltered and the tube oscillates at the kink speed of the corresponding straight tube. The change in polarisation is linearly proportional to the degree of twist. This has implications with regard to observations of kink modes, since the detection of this variation in polarisation can be used as an indirect method to estimate the twist in oscillating loops.
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Energy Technology Data Exchange (ETDEWEB)
Villalobos Baillie, Orlando
1988-12-15
In the quantum chromodynamics (QCD) candidate theory of interquark forces, calculations involve summing the effects from many different possible quark/gluon interactions. In addition to the 'leading term' frequently used as the basis for QCD calculations, additional contributions — so-called 'higher twists' — are modulated by powers of kinematical factors. An illuminating international workshop to discuss higher twist QCD was held at the College de France, Paris, from 21-23 September.
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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
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Processing mechanics of alternate twist ply (ATP) yarn technology
Elkhamy, Donia Said
Ply yarns are important in many textile manufacturing processes and various applications. The primary process used for producing ply yarns is cabling. The speed of cabling is limited to about 35m/min. With the world's increasing demands of ply yarn supply, cabling is incompatible with today's demand activated manufacturing strategies. The Alternate Twist Ply (ATP) yarn technology is a relatively new process for producing ply yarns with improved productivity and flexibility. This technology involves self plying of twisted singles yarn to produce ply yarn. The ATP process can run more than ten times faster than cabling. To implement the ATP process to produce ply yarns there are major quality issues; uniform Twist Profile and yarn Twist Efficiency. The goal of this thesis is to improve these issues through process modeling based on understanding the physics and processing mechanics of the ATP yarn system. In our study we determine the main parameters that control the yarn twist profile. Process modeling of the yarn twist across different process zones was done. A computational model was designed to predict the process parameters required to achieve a square wave twist profile. Twist efficiency, a measure of yarn torsional stability and bulk, is determined by the ratio of ply yarn twist to singles yarn twist. Response Surface Methodology was used to develop the processing window that can reproduce ATP yarns with high twist efficiency. Equilibrium conditions of tensions and torques acting on the yarns at the self ply point were analyzed and determined the pathway for achieving higher twist efficiency. Mechanistic modeling relating equilibrium conditions to the twist efficiency was developed. A static tester was designed to zoom into the self ply zone of the ATP yarn. A computer controlled, prototypic ATP machine was constructed and confirmed the mechanistic model results. Optimum parameters achieving maximum twist efficiency were determined in this study. The
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Ko, Sangwon; Hoke, Eric T.; Pandey, Laxman; Hong, Sanghyun; Mondal, Rajib; Risko, Chad; Yi, Yuanping; Noriega, Rodrigo; McGehee, Michael D.; Bré das, Jean-Luc; Salleo, Alberto; Bao, Zhenan
2012-01-01
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
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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
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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
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Twist operators in N=4 beta-deformed theory
de Leeuw, M.; Łukowski, T.
2010-01-01
In this paper we derive both the leading order finite size corrections for twist-2 and twist-3 operators and the next-to-leading order finite-size correction for twist-2 operators in beta-deformed SYM theory. The obtained results respect the principle of maximum transcendentality as well as
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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.)
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A novel role for Twist-1 in pulp homeostasis.
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.
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Flexible Faraday Cage with a Twist: Surface Charge on a Möbius Strip
Stewart, Seán
2007-05-01
Once an intriguing topological novelty known only to mathematicians, the Möbius 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 Möbius strip is a surface with only one side and one edge. A Möbius strip is readily formed by taking a long rectangular strip of paper and giving one of its ends a half twist before joining it to its other end (see Fig. 1). Given its simplicity, I hoped to profit from its appealing yet counterintuitive nature by designing a simple demonstration experiment that would reveal the intrinsic physical difference between one- and two-sided surfaces.
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Full quantum treatment of charge dynamics in amorphous molecular semiconductors
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.
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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...
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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.
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New stereoselective intramolecular
Alajarin; Vidal; Tovar; Ramirez De Arellano MC; Cossio; Arrieta; Lecea
2000-11-03
Efficient 1,4-asymmetric induction has been achieved in the highly stereocontrolled intramolecular [2 + 2] cycloadditions between ketenimines and imines, leading to 1,2-dihydroazeto[2, 1-b]quinazolines. The chiral methine carbon adjacent to the iminic nitrogen controls the exclusive formation of the cycloadducts with relative trans configuration at C2 and C8. The stepwise mechanistic model, based on theoretical calculations, fully supports the stereochemical outcome of these cycloadditions.
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Magnetization Modeling of Twisted Superconducting Filaments
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...
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Atomic spectroscopy with twisted photons: Separation of M 1 -E 2 mixed multipoles
Afanasev, Andrei; Carlson, Carl E.; Solyanik, Maria
2018-02-01
We analyze atomic photoexcitation into the discrete states by twisted photons, or photons carrying extra orbital angular momentum along their direction of propagation. From the angular momentum and parity considerations, we are able to relate twisted-photon photoexcitation amplitudes to their plane-wave analogs, independently of the details of the atomic wave functions. We analyze the photoabsorption cross sections of mixed-multipolarity E 2 -M 1 transitions in ionized atoms and found fundamental differences coming from the photon topology. Our theoretical analysis demonstrates that it is possible to extract the relative transition rates of different multipolar contributions by measuring the photoexcitation rate as a function of the atom's position (or impact parameter) with respect to the optical vortex center. The proposed technique for separation of multipoles can be implemented if the target's atom position is resolved with subwavelength accuracy; for example, with Paul traps. Numerical examples are presented for Boron-like highly charged ions.
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Twisting short dsDNA with applied tension
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.
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Four-point functions with a twist
Energy Technology Data Exchange (ETDEWEB)
Bargheer, Till [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Theory Group
2017-01-15
We study the OPE of correlation functions of local operators in planar N=4 super Yang-Mills theory. The considered operators have an explicit spacetime dependence that is defined by twisting the translation generators with certain R-symmetry generators. We restrict to operators that carry a small number of excitations above the twisted BMN vacuum. The OPE limit of the four-point correlator is dominated by internal states with few magnons on top of the vacuum. The twisting directly couples all spacetime dependence of the correlator to these magnons. We analyze the OPE in detail, and single out the extremal states that have to cancel all double-trace contributions.
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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.)
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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.
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International Nuclear Information System (INIS)
Gormin, D.
1989-01-01
Using picosecond transient absorption studies, it is shown that the twisted intramolecular charge-transfer state (TICT) and the excited intramolecular proton-transfer state (ESIPT or PT) of specific aminosalicylates both contribute to the long-wavelength fluorescence band, F 2 , observed as an unresolved band to the red of the normal fluorescence band, F 1 . The transient absorption band for 2-hydroxy-4-(dimethylamino)benzoic acid methyl ester (PDASE) is shown to be a composite of the two excited-state absorption modes: S n double-prime(TICT) left-arrow S 1 double-prime (TICT) and S n '(PT)left-arrow S 1 '(PT). This corroborates previous steady-state fluorescence studies of the unresolved F 2 band. The assignments are based on comparison with the excited-state absorption spectra of various substituted aminosalicylates in polar and nonpolar solvents
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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.
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Euclidean supersymmetry, twisting and topological sigma models
International Nuclear Information System (INIS)
Hull, C.M.; Lindstroem, U.; Santos, L. Melo dos; Zabzine, M.; Unge, R. von
2008-01-01
We discuss two dimensional N-extended supersymmetry in Euclidean signature and its R-symmetry. For N = 2, the R-symmetry is SO(2) x SO(1, 1), so that only an A-twist is possible. To formulate a B-twist, or to construct Euclidean N = 2 models with H-flux so that the target geometry is generalised Kahler, it is necessary to work with a complexification of the sigma models. These issues are related to the obstructions to the existence of non-trivial twisted chiral superfields in Euclidean superspace.
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Intramolecular addition of benzylic radicals onto ketenimines. Synthesis of 2-alkylindoles.
Alajarín, Mateo; Vidal, Angel; Ortín, María-Mar
2003-12-07
The inter- and intramolecular addition of free radicals onto ketenimines is studied. All the attempts to add intermolecularly several silicon, oxygen or carbon centered radicals to N-(4-methylphenyl)-C,C-diphenyl ketenimine were unsuccessful. In contrast, the intramolecular addition of benzylic radicals, generated from xanthates, onto the central carbon of a ketenimine function with its N atom linked to the ortho position of the aromatic ring occurred under a variety of reaction conditions. These intramolecular cyclizations provide a novel radical-mediated synthesis of 2-alkylindoles.
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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
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Duality and braiding in twisted quantum field theory
International Nuclear Information System (INIS)
Riccardi, Mauro; Szabo, Richard J.
2008-01-01
We re-examine various issues surrounding the definition of twisted quantum field theories on flat noncommutative spaces. We propose an interpretation based on nonlocal commutative field redefinitions which clarifies previously observed properties such as the formal equivalence of Green's functions in the noncommutative and commutative theories, causality, and the absence of UV/IR mixing. We use these fields to define the functional integral formulation of twisted quantum field theory. We exploit techniques from braided tensor algebra to argue that the twisted Fock space states of these free fields obey conventional statistics. We support our claims with a detailed analysis of the modifications induced in the presence of background magnetic fields, which induces additional twists by magnetic translation operators and alters the effective noncommutative geometry seen by the twisted quantum fields. When two such field theories are dual to one another, we demonstrate that only our braided physical states are covariant under the duality
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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.
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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.
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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)
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TWIST1 promotes invasion through mesenchymal change in human glioblastoma
Directory of Open Access Journals (Sweden)
Wakimoto Hiroaki
2010-07-01
Full Text Available Abstract Background Tumor cell invasion into adjacent normal brain is a mesenchymal feature of GBM and a major factor contributing to their dismal outcomes. Therefore, better understandings of mechanisms that promote mesenchymal change in GBM are of great clinical importance to address invasion. We previously showed that the bHLH transcription factor TWIST1 which orchestrates carcinoma metastasis through an epithelial mesenchymal transition (EMT is upregulated in GBM and promotes invasion of the SF767 GBM cell line in vitro. Results To further define TWIST1 functions in GBM we tested the impact of TWIST1 over-expression on invasion in vivo and its impact on gene expression. We found that TWIST1 significantly increased SNB19 and T98G cell line invasion in orthotopic xenotransplants and increased expression of genes in functional categories associated with adhesion, extracellular matrix proteins, cell motility and locomotion, cell migration and actin cytoskeleton organization. Consistent with this TWIST1 reduced cell aggregation, promoted actin cytoskeletal re-organization and enhanced migration and adhesion to fibronectin substrates. Individual genes upregulated by TWIST1 known to promote EMT and/or GBM invasion included SNAI2, MMP2, HGF, FAP and FN1. Distinct from carcinoma EMT, TWIST1 did not generate an E- to N-cadherin "switch" in GBM cell lines. The clinical relevance of putative TWIST target genes SNAI2 and fibroblast activation protein alpha (FAP identified in vitro was confirmed by their highly correlated expression with TWIST1 in 39 human tumors. The potential therapeutic importance of inhibiting TWIST1 was also shown through a decrease in cell invasion in vitro and growth of GBM stem cells. Conclusions Together these studies demonstrated that TWIST1 enhances GBM invasion in concert with mesenchymal change not involving the canonical cadherin switch of carcinoma EMT. Given the recent recognition that mesenchymal change in GBMs is
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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
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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.
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International Nuclear Information System (INIS)
Ketov, S.V.; Lechtenfeld, O.; Parkes, A.J.
1993-12-01
The most general homogeneous monodromy conditions in N= 2 string theory are classified in terms of the conjugacy classes of the global symmetry group U(1, 1) x Z 2 . For classes which generate a discrete subgroup Γ, the corresponding target space backgrounds C 1,1 /Γ include half spaces, complex orbifolds and tori. We propose a generalization of the intercept formula to matrix-valued twists, and find massless physical states in a number of twisted cases. In particular, the sixteen Z 2 -twisted sectors of the N = 2 string are investigated, and the corresponding ground states are identified via bosonization and BRST cohomology. We find enough room for an extended multiplet of 'spacetime' supersymmetry, with the number of supersymmetries being dependent on global 'spacetime' topology. Unfortunately, world-sheet locality for the chiral vertex operators does not permit interactions for the massless 'spacetime' fermions; however possibly, an asymmetric GSO projection could evade this problem. (orig.)
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Scanning tunneling microscopy and spectroscopy of twisted trilayer graphene
Zuo, Wei-Jie; Qiao, Jia-Bin; Ma, Dong-Lin; Yin, Long-Jing; Sun, Gan; Zhang, Jun-Yang; Guan, Li-Yang; He, Lin
2018-01-01
Twist, as a simple and unique degree of freedom, could lead to enormous novel quantum phenomena in bilayer graphene. A small rotation angle introduces low-energy van Hove singularities (VHSs) approaching the Fermi level, which result in unusual correlated states in the bilayer graphene. It is reasonable to expect that the twist could also affect the electronic properties of few-layer graphene dramatically. However, such an issue has remained experimentally elusive. Here, by using scanning tunneling microscopy/spectroscopy (STM/STS), we systematically studied a twisted trilayer graphene (TTG) with two different small twist angles between adjacent layers. Two sets of VHSs, originating from the two twist angles, were observed in the TTG, indicating that the TTG could be simply regarded as a combination of two different twisted bilayers of graphene. By using high-resolution STS, we observed a split of the VHSs and directly imaged the spatial symmetry breaking of electronic states around the VHSs. These results suggest that electron-electron interactions play an important role in affecting the electronic properties of graphene systems with low-energy VHSs.
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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...
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Electrical transport properties of an isolated CdS microrope composed of twisted nanowires
Yu, Gui-Feng; Yu, Miao; Pan, Wei; Han, Wen-Peng; Yan, Xu; Zhang, Jun-Cheng; Zhang, Hong-Di; Long, Yun-Ze
2015-01-01
CdS is one of the important II-VI group semiconductors. In this paper, the electrical transport behavior of an individual CdS microrope composed of twisted nanowires is studied. It is found that the current?voltage (I-V) characteristics show two distinct power law regions from 360 down to 60?K. Space-charge-limited current (SCLC) theory is used to explain these temperature- and electric-field-dependent I-V curves. The I-V data can be well fitted by this theory above 100?K, and the correspondi...
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Twisted covariant noncommutative self-dual gravity
International Nuclear Information System (INIS)
Estrada-Jimenez, S.; Garcia-Compean, H.; Obregon, O.; Ramirez, C.
2008-01-01
A twisted covariant formulation of noncommutative self-dual gravity is presented. The formulation for constructing twisted noncommutative Yang-Mills theories is used. It is shown that the noncommutative torsion is solved at any order of the θ expansion in terms of the tetrad and some extra fields of the theory. In the process the first order expansion in θ for the Plebanski action is explicitly obtained.
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Soft tissue twisting injuries of the knee
International Nuclear Information System (INIS)
Magee, T.; Shapiro, M.
2001-01-01
Twisting injuries occur as a result of differential motion of different tissue types in injuries with some rotational force. These injuries are well described in brain injuries but, to our knowledge, have not been described in the musculoskeletal literature. We correlated the clinical examination and MR findings of 20 patients with twisting injuries of the soft tissues around the knee. Design and patients: We prospectively followed the clinical courses of 20 patients with knee injuries who had clinical histories and MR findings to suggest twisting injuries of the subcutaneous tissues. Patients with associated internal derangement of the knee (i.e., meniscal tears, ligamentous or bone injuries) were excluded from this study. MR findings to suggest twisting injuries included linear areas of abnormal dark signal on T1-weighted sequences and abnormal bright signal on T2-weighted or short tau inversion recovery (STIR) sequences and/or signal to suggest hemorrhage within the subcutaneous tissues. These MR criteria were adapted from those established for indirect musculotendinous junction injuries. Results: All 20 patients presented with considerable pain that suggested internal derangement on physical examination by the referring orthopedic surgeons. All presented with injuries associated with rotational force. The patients were placed on a course of protected weight-bearing of the affected extremity for 4 weeks. All patients had pain relief by clinical examination after this period of protected weight-bearing. Twisting injuries of the soft tissues can result in considerable pain that can be confused with internal derangement of the knee on physical examination. Soft tissue twisting injuries need to be recognized on MR examinations as they may be the cause of the patient's pain despite no MR evidence of internal derangement of the knee. The demonstration of soft tissue twisting injuries in a patient with severe knee pain but no documented internal derangement on MR
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Mujika, Jon I; Formoso, Elena; Mercero, Jose M; Lopez, Xabier
2006-08-03
We present an ab initio study of the acid hydrolysis of a highly twisted amide and a planar amide analogue. The aim of these studies is to investigate the effect that the twist of the amide bond has on the reaction barriers and mechanism of acid hydrolysis. Concerted and stepwise mechanisms were investigated using density functional theory and polarizable continuum model calculations. Remarkable differences were observed between the mechanism of twisted and planar amide, due mainly to the preference for N-protonation of the former and O-protonation of the latter. In addition, we were also able to determine that the hydrolytic mechanism of the twisted amide will be pH dependent. Thus, there is a preference for a stepwise mechanism with formation of an intermediate in the acid hydrolysis, whereas the neutral hydrolysis undergoes a concerted-type mechanism. There is a nice agreement between the characterized intermediate and available X-ray data and a good agreement with the kinetically estimated rate acceleration of hydrolysis with respect to analogous undistorted amide compounds. This work, along with previous ab initio calculations, describes a complex and rich chemistry for the hydrolysis of highly twisted amides as a function of pH. The theoretical data provided will allow for a better understanding of the available kinetic data of the rate acceleration of amides upon twisting and the relation of the observed rate acceleration with intrinsic differential reactivity upon loss of amide bond resonance.
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A twisted generalization of Novikov-Poisson algebras
Yau, Donald
2010-01-01
Hom-Novikov-Poisson algebras, which are twisted generalizations of Novikov-Poisson algebras, are studied. Hom-Novikov-Poisson algebras are shown to be closed under tensor products and several kinds of twistings. Necessary and sufficient conditions are given under which Hom-Novikov-Poisson algebras give rise to Hom-Poisson algebras.
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Introduction to twisted conformal fields
International Nuclear Information System (INIS)
Kazama, Y.
1988-01-01
A pedagogical account is given of the recent developments in the theory of twisted conformal fields. Among other things, the main part of the lecture concerns the construction of the twist-emission vertex operator, which is a generalization of the fermion emission vertex in the superstring theory. Several different forms of the vertex are derived and their mutural relationships are clarified. In this paper, the authors include a brief survey of the history of the fermion emission vertex, as it offers a good perspective in which to appreciate the logical development
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On the performance analysis of Savonius rotor with twisted blades
Energy Technology Data Exchange (ETDEWEB)
Saha, U.K.; Rajkumar, M. Jaya [Department of Mechanical Engineering, Indian Institute of Technology Guwahati, Guwahati-781 039 (India)
2006-09-15
The present investigation is aimed at exploring the feasibility of twisted bladed Savonius rotor for power generation. The twisted blade in a three-bladed rotor system has been tested in a low speed wind tunnel, and its performance has been compared with conventional semicircular blades (with twist angle of 0{sup o}). Performance analysis has been made on the basis of starting characteristics, static torque and rotational speed. Experimental evidence shows the potential of the twisted bladed rotor in terms of smooth running, higher efficiency and self-starting capability as compared to that of the conventional bladed rotor. Further experiments have been conducted in the same setup to optimize the twist angle. (author)
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Highly efficient induction of chirality in intramolecular
Cossio; Arrieta; Lecea; Alajarin; Vidal; Tovar
2000-06-16
Highly stereocontrolled, intramolecular [2 + 2] cycloadditions between ketenimines and imines leading to 1,2-dihydroazeto[2, 1-b]quinazolines have been achieved. The source of stereocontrol is a chiral carbon atom adjacent either to the iminic carbon or nitrogen atom. In the first case, the stereocontrol stems from the preference for the axial conformer in the first transition structure. In the second case, the origin of the stereocontrol lies on the two-electron stabilizing interaction between the C-C bond being formed and the sigma orbital corresponding to the polar C-X bond, X being an electronegative atom. These models can be extended to other related systems for predicting the stereochemical outcome in this intramolecular reaction.
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New look at the dynamics of twisted accretion disks
International Nuclear Information System (INIS)
Hatchett, S.P.; Begelman, M.C.; Sarazin, C.L.
1981-01-01
We reexamine the dynamic response of a thin, accretion disk to twisting torques, guided by the earlier analyses by Bardeen and Petterson. We make several corrections to this earlier work, and present a new version of the twist equations consistent with their physical assumptions. By describing the distortion of the disk in terms Cartesian direction cosines rather than the Euler angles used by the earlier authors, we are able to transform the twist equations from a pair of coupled, nonlinear, partial differential equations to a single, linear, complex one. We write down formulae for the external twisting torques likley to be encountered in astrophysic, and we show that even with these driving torques our twist equation remains linear. We find exact, analytic solutions for steady state structure of a disk subject to Lense-Thirring torques by a nonaligned central Kerr black hole and also for the time-dependent problem of the structure of a slaved disk with its oscillating boundary conditions. Finally, we discuss the stability of disks against twisting modes and show that undriven disks and disks subject to time-independent driving torques are stable
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Meng, Guangrong; Shi, Shicheng; Lalancette, Roger; Szostak, Roman; Szostak, Michal
2018-01-17
Since the seminal studies by Pauling in 1930s, planarity has become the defining characteristic of the amide bond. Planarity of amides has central implications for the reactivity and chemical properties of amides of relevance to a range of chemical disciplines. While the vast majority of amides are planar, nonplanarity has a profound effect on the properties of the amide bond, with the most common method to restrict the amide bond relying on the incorporation of the amide function into a rigid cyclic ring system. In a major departure from this concept, here, we report the first class of acyclic twisted amides that can be prepared, reversibly, from common primary amides in a single, operationally trivial step. Di-tert-butoxycarbonylation of the amide nitrogen atom yields twisted amides in which the amide bond exhibits nearly perpendicular twist. Full structural characterization of a range of electronically diverse compounds from this new class of twisted amides is reported. Through reactivity studies we demonstrate unusual properties of the amide bond, wherein selective cleavage of the amide bond can be achieved by a judicious choice of the reaction conditions. Through computational studies we evaluate structural and energetic details pertaining to the amide bond deformation. The ability to selectively twist common primary amides, in a reversible manner, has important implications for the design and application of the amide bond nonplanarity in structural chemistry, biochemistry and organic synthesis.
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Modal properties and stability of bend–twist coupled wind turbine blades
Directory of Open Access Journals (Sweden)
A. R. Stäblein
2017-06-01
Full Text Available Coupling between bending and twist has a significant influence on the aeroelastic response of wind turbine blades. The coupling can arise from the blade geometry (e.g. sweep, prebending, or deflection under load or from the anisotropic properties of the blade material. Bend–twist coupling can be utilized to reduce the fatigue loads of wind turbine blades. In this study the effects of material-based coupling on the aeroelastic modal properties and stability limits of the DTU 10 MW Reference Wind Turbine are investigated. The modal properties are determined by means of eigenvalue analysis around a steady-state equilibrium using the aero-servo-elastic tool HAWCStab2 which has been extended by a beam element that allows for fully coupled cross-sectional properties. Bend–twist coupling is introduced in the cross-sectional stiffness matrix by means of coupling coefficients that introduce twist for flapwise (flap–twist coupling or edgewise (edge–twist coupling bending. Edge–twist coupling can increase or decrease the damping of the edgewise mode relative to the reference blade, depending on the operational condition of the turbine. Edge–twist to feather coupling for edgewise deflection towards the leading edge reduces the inflow speed at which the blade becomes unstable. Flap–twist to feather coupling for flapwise deflections towards the suction side increase the frequency and reduce damping of the flapwise mode. Flap–twist to stall reduces frequency and increases damping. The reduction of blade root flapwise and tower bottom fore–aft moments due to variations in mean wind speed of a flap–twist to feather blade are confirmed by frequency response functions.
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Twisted sigma-model solitons on the quantum projective line
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.
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A higher twist correction to heavy quark production
International Nuclear Information System (INIS)
Brodsky, S.J.; Gunion, J.F.; Soper, D.E.
1987-06-01
The leading twist prediction for heavy quark production and a model for a higher twist correction that may be important for charm production was discussed. The correction arises from the interaction of the charm quark with spectator quarks
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The Twist Tensor Nuclear Norm for Video Completion.
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.
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Photoswitchable Intramolecular H-Stacking of Perylenebisimide
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
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Role of Molecular Weight Distribution on Charge Transport in Semiconducting Polymers
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.
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Optical yarn assessment system for twist measurement in rotor-spun yarn
International Nuclear Information System (INIS)
Jhatial, R.A.
2015-01-01
This paper presents the development of an optical yarn assessment system for evaluation of twist and structure of twisted yarn. The system comprises a yarn carriage unit, a video microscope and a personal computer. This system was used in conjunction with the well-known tracer fibre technique. This system enables digital images to be grabbed and continuous movies of the yarn to be recorded in order to facilitate the measurement of twist and the analysis of yarn structure. Yarn samples from polyester, viscose and cotton with 35 tex and 485 turns/meter were spun from the roving with 2.3% of black fibres on the SKF laboratory ring frame. In order to measure the twist in the rotor yarns with the optical yarn assessment system, a set of yarn samples from same fibres were spun on RU 14 rotor machine with 35 tex and 475 turns/meter. The twist was measured with the optical yarn assessment system and sixty tests of each sample were carried out on the Zweigle D301. It is clear from the results that there is consistency in the twist of ring-spun yarn measured by the optical yarn assessment system. However, the measured twist with the Zwiegle D301 is inconsistent in the different yarns. The difference in the mean twist measured with the optical twist measuring system and the double untwist-twist method was not significant at a 5% probability level when data was analyzed with t test by using SPSS (Statistical Package for Social Sciences). (author)
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Bound states on the lattice with partially twisted boundary conditions
International Nuclear Information System (INIS)
Agadjanov, D.; Guo, F.-K.; Ríos, G.; Rusetsky, A.
2015-01-01
We propose a method to study the nature of exotic hadrons by determining the wave function renormalization constant Z from lattice simulations. It is shown that, instead of studying the volume-dependence of the spectrum, one may investigate the dependence of the spectrum on the twisting angle, imposing twisted boundary conditions on the fermion fields on the lattice. In certain cases, e.g., the case of the DK bound state which is addressed in detail, it is demonstrated that the partial twisting is equivalent to the full twisting up to exponentially small corrections.
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Complex Toda theories and twisted reality conditions
International Nuclear Information System (INIS)
Evans, J.M.
1993-01-01
The Toda equations (based on a finite-dimensional or affine Lie algebra of superalgebra) are discussed as integrable non-linear differential equations for a set of complex scalar fields. We show that such complex Toda fields can either be restricted to take real values in the standard way or else they can be subjected to a 'twisted' reality condition associated to any Z 2 symmetry of the Cartan matrix or Dynkin diagram of the underlying algebra. Different reality conditions give rise to different lagrangian field theories. In the conformal case, however, these theories have the same central charge, while in the affine case they have the same mass spectrum. The construction of N=2 superconformal theories based on the superalgebras A(n, n-1) is clarified, and a new class of conformal field theories with positive kinetic energy based on the superalgebras C(n) is presented. The ideas developed are also relevant to understanding solition solutions in affine Toda theories with imaginary coupling constant. (orig.)
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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....
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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.
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Twisted Vanes Would Enhance Fuel/Air Mixing In Turbines
Nguyen, H. Lee; Micklow, Gerald J.; Dogra, Anju S.
1994-01-01
Computations of flow show performance of high-shear airblast fuel injector in gas-turbine engine enhanced by use of appropriately proportioned twisted (instead of flat) dome swirl vanes. Resultant more nearly uniform fuel/air mixture burns more efficiently, emitting smaller amounts of nitrogen oxides. Twisted-vane high-shear airblast injectors also incorporated into paint sprayers, providing advantages of low pressure drop characteristic of airblast injectors in general and finer atomization of advanced twisted-blade design.
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Comparison of split double and triple twists in pair figure skating.
King, Deborah L; Smith, Sarah L; Brown, Michele R; McCrory, Jean L; Munkasy, Barry A; Scheirman, Gary I
2008-05-01
In this study, we compared the kinematic variables of the split triple twist with those of the split double twist to help coaches and scientists understand these landmark pair skating skills. High-speed video was taken during the pair short and free programmes at the 2002 Salt Lake City Winter Olympics and the 2003 International Skating Union Grand Prix Finals. Three-dimensional analyses of 14 split double twists and 15 split triple twists from eleven pairs were completed. In spite of considerable variability in the performance variables among the pairs, the main difference between the split double twists and split triple twists was an increase in rotational rate. While eight of the eleven pairs relied primarily on an increased rotational rate to complete the split triple twist, three pairs employed a combined strategy of increased rotational rate and increased flight time due predominantly to delayed or lower catches. These results were similar to observations of jumps in singles skating for which the extra rotation is typically due to an increase in rotational velocity; increases in flight time come primarily from delayed landings as opposed to additional height during flight. Combining an increase in flight time and rotational rate may be a good strategy for completing the split triple twist in pair skating.
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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.
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Phosphorylation of basic helix-loop-helix transcription factor Twist in development and disease.
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.
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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
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Further Generalisations of Twisted Gabidulin Codes
DEFF Research Database (Denmark)
Puchinger, Sven; Rosenkilde, Johan Sebastian Heesemann; Sheekey, John
2017-01-01
We present a new family of maximum rank distance (MRD) codes. The new class contains codes that are neither equivalent to a generalised Gabidulin nor to a twisted Gabidulin code, the only two known general constructions of linear MRD codes.......We present a new family of maximum rank distance (MRD) codes. The new class contains codes that are neither equivalent to a generalised Gabidulin nor to a twisted Gabidulin code, the only two known general constructions of linear MRD codes....
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Geometry of the toroidal N-helix: optimal-packing and zero-twist
DEFF Research Database (Denmark)
Olsen, Kasper; Bohr, Jakob
2012-01-01
Two important geometrical properties of N-helix structures are influenced by bending. One is maximizing the volume fraction, which is called optimal-packing, and the other is having a vanishing strain-twist coupling, which is called zero-twist. Zero-twist helices rotate neither in one nor...... helix. General N-helices are discussed, as well as zero-twist helices for N > 1. The derived geometrical restrictions are gradually modified by changing the aspect ratio of the torus....
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A method to estimate the necessary twist pitch in multi-filamentary superconductors
International Nuclear Information System (INIS)
Lindau, S; Magnusson, N; Taxt, H
2014-01-01
Twisting of multi-filamentary superconductors is an important step in the development of wires with AC losses at an acceptable level for AC applications. The necessary twist pitch depends on wire architecture, critical current density, matrix material, and external factors such as temperature, frequency and applied magnetic field. The development of an AC optimized MgB 2 superconductor would be facilitated by a fast method to set the requirements for the twist pitch. A problem often encountered when comparing wires with different twist pitches is the degradation in critical current occurring at small twist pitches due to mechanical deformation. In this work we propose to use a non-twisted conductor to estimate the influence of twisting on the AC losses. A long superconductor is cut into smaller lengths, each simulating one third of the twist pitch, and the AC losses due to applied magnetic fields are compared between samples of different lengths. With this method, the effect of reducing the size of the loop of the coupling currents is studied without changing the superconducting parameters. AC loss measurement results are presented for a round titanium matrix MgB 2 wire with simulated twist pitches between 9 mm and 87 mm.
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New twist on artificial muscles.
Haines, Carter S; Li, Na; Spinks, Geoffrey M; Aliev, Ali E; Di, Jiangtao; Baughman, Ray H
2016-10-18
Lightweight artificial muscle fibers that can match the large tensile stroke of natural muscles have been elusive. In particular, low stroke, limited cycle life, and inefficient energy conversion have combined with high cost and hysteretic performance to restrict practical use. In recent years, a new class of artificial muscles, based on highly twisted fibers, has emerged that can deliver more than 2,000 J/kg of specific work during muscle contraction, compared with just 40 J/kg for natural muscle. Thermally actuated muscles made from ordinary polymer fibers can deliver long-life, hysteresis-free tensile strokes of more than 30% and torsional actuation capable of spinning a paddle at speeds of more than 100,000 rpm. In this perspective, we explore the mechanisms and potential applications of present twisted fiber muscles and the future opportunities and challenges for developing twisted muscles having improved cycle rates, efficiencies, and functionality. We also demonstrate artificial muscle sewing threads and textiles and coiled structures that exhibit nearly unlimited actuation strokes. In addition to robotics and prosthetics, future applications include smart textiles that change breathability in response to temperature and moisture and window shutters that automatically open and close to conserve energy.
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Beck, Warren F; Bishop, Michael M; Roscioli, Jerome D; Ghosh, Soumen; Frank, Harry A
2015-04-15
A consideration of the excited state potential energy surfaces of carotenoids develops a new hypothesis for the nature of the conformational motions that follow optical preparation of the S2 (1(1)Bu(+)) state. After an initial displacement from the Franck-Condon geometry along bond length alternation coordinates, it is suggested that carotenoids pass over a transition-state barrier leading to twisted conformations. This hypothesis leads to assignments for several dark intermediate states encountered in femtosecond spectroscopic studies. The Sx state is assigned to the structure reached upon the onset of torsional motions near the transition state barrier that divides planar and twisted structures on the S2 state potential energy surface. The X state, detected recently in two-dimensional electronic spectra, corresponds to a twisted structure well past the barrier and approaching the S2 state torsional minimum. Lastly, the S(∗) state is assigned to a low lying S1 state structure with intramolecular charge transfer character (ICT) and a pyramidal conformation. It follows that the bent and twisted structures of carotenoids that are found in photosynthetic light-harvesting proteins yield excited-state structures that favor the development of an ICT character and optimized energy transfer yields to (bacterio)chlorophyll acceptors. Copyright © 2015 Elsevier Inc. All rights reserved.
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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
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Ko, Sangwon; Hoke, Eric T; Pandey, Laxman; Hong, Sanghyun; Mondal, Rajib; Risko, Chad; Yi, Yuanping; Noriega, Rodrigo; McGehee, Michael D; Brédas, Jean-Luc; Salleo, Alberto; Bao, Zhenan
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(71)BM) 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.
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Electrically Controllable Magnetism in Twisted Bilayer Graphene.
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.
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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...
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Supersymmetric gauged double field theory: systematic derivation by virtue of twist
International Nuclear Information System (INIS)
Cho, Wonyoung; Fernández-Melgarejo, J.J.; Jeon, Imtak; Park, Jeong-Hyuck
2015-01-01
In a completely systematic and geometric way, we derive maximal and half-maximal supersymmetric gauged double field theories in lower than ten dimensions. To this end, we apply a simple twisting ansatz to the D=10 ungauged maximal and half-maximal supersymmetric double field theories constructed previously within the so-called semi-covariant formalism. The twisting ansatz may not satisfy the section condition. Nonetheless, all the features of the semi-covariant formalism, including its complete covariantizability, are still valid after the twist under alternative consistency conditions. The twist allows gaugings as supersymmetry preserving deformations of the D=10 untwisted theories after Scherk-Schwarz-type dimensional reductions. The maximal supersymmetric twist requires an extra condition to ensure both the Ramond-Ramond gauge symmetry and the 32 supersymmetries unbroken.
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AN in inclusive lepton-proton collisions: TMD and twist-3 approaches
International Nuclear Information System (INIS)
Prokudin, Alexei
2015-01-01
We consider the inclusive production of hadrons in lepton-nucleon scattering. For a transversely polarized nucleon this reaction shows a left-right azimuthal asymmetry, which we compute this asymmetry in both TMD and in twist-3 collinear factorization formalisms. All non-perturbative parton correlators of the calculation are fixed through information from other hard processes. Our results for the left-right asymmetry agree in sign with recent data for charged pion production from the HERMES Collaboration and from Jefferson Lab. As a result, we discuss similarities and differences of two formalisms
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Nonlinear physics of twisted magnetic field lines
International Nuclear Information System (INIS)
Yoshida, Zensho
1998-01-01
Twisted magnetic field lines appear commonly in many different plasma systems, such as magnetic ropes created through interactions between the magnetosphere and the solar wind, magnetic clouds in the solar wind, solar corona, galactic jets, accretion discs, as well as fusion plasma devices. In this paper, we study the topological characterization of twisted magnetic fields, nonlinear effect induced by the Lorentz back reaction, length-scale bounds, and statistical distributions. (author)
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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.
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Observations on discretization errors in twisted-mass lattice QCD
International Nuclear Information System (INIS)
Sharpe, Stephen R.
2005-01-01
I make a number of observations concerning discretization errors in twisted-mass lattice QCD that can be deduced by applying chiral perturbation theory including lattice artifacts. (1) The line along which the partially conserved axial current quark mass vanishes in the untwisted-mass-twisted-mass plane makes an angle to the twisted-mass axis which is a direct measure of O(a) terms in the chiral Lagrangian, and is found numerically to be large; (2) Numerical results for pionic quantities in the mass plane show the qualitative properties predicted by chiral perturbation theory, in particular, an asymmetry in slopes between positive and negative untwisted quark masses; (3) By extending the description of the 'Aoki regime' (where m q ∼a 2 Λ QCD 3 ) to next-to-leading order in chiral perturbation theory I show how the phase-transition lines and lines of maximal twist (using different definitions) extend into this region, and give predictions for the functional form of pionic quantities; (4) I argue that the recent claim that lattice artifacts at maximal twist have apparent infrared singularities in the chiral limit results from expanding about the incorrect vacuum state. Shifting to the correct vacuum (as can be done using chiral perturbation theory) the apparent singularities are summed into nonsingular, and furthermore predicted, forms. I further argue that there is no breakdown in the Symanzik expansion in powers of lattice spacing, and no barrier to simulating at maximal twist in the Aoki regime
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Higher-twist correlations in polarized hadrons
International Nuclear Information System (INIS)
Tangerman, R.D.
1996-01-01
In this thesis we studied the response of polarized hadrons to several high-energy probes, working in the framework of the field theoretic model. Emphasis is laid upon higher-twist effects such as quark transverse momentum. The inclusive DIS process is very well suited to study QCD. From general principles we were able to derive four positivity constraints on the structure functions without invoking the helicity formalism. The on-shell quark model is used to illustrate these constraints. Subseqeuently, we concentrated on the higher-twist structure function g 2 (x,Q 2 ). (orig./HSI)
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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...
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Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution
Directory of Open Access Journals (Sweden)
Peter I. Nagy
2014-10-01
Full Text Available A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation 2011 or by finding a special bond critical point on the density map of the structure in the framework of the atoms-in-molecules theory. Nonetheless, a given structural conformation may be simply favored by electrostatic interactions. The present review surveys the in-solution competition of the conformations with intramolecular vs. intermolecular hydrogen bonds for different types of small organic molecules. In their most stable gas-phase structure, an intramolecular hydrogen bond is possible. In a protic solution, the intramolecular hydrogen bond may disrupt in favor of two solute-solvent intermolecular hydrogen bonds. The balance of the increased internal energy and the stabilizing effect of the solute-solvent interactions regulates the new conformer composition in the liquid phase. The review additionally considers the solvent effects on the stability of simple dimeric systems as revealed from molecular dynamics simulations or on the basis of the calculated potential of mean force curves. Finally, studies of the solvent effects on the type of the intermolecular hydrogen bond (neutral or ionic in acid-base complexes have been surveyed.
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Transcription factors zeb1, twist and snai1 in breast carcinoma
International Nuclear Information System (INIS)
Soini, Ylermi; Tuhkanen, Hanna; Sironen, Reijo; Virtanen, Ismo; Kataja, Vesa; Auvinen, Päivi; Mannermaa, Arto; Kosma, Veli-Matti
2011-01-01
Epitheliomesenchymal transition (EMT) is the process where cancer cells attain fibroblastic features and are thus able to invade neighboring tissues. Transcriptional factors zeb1, snai1 and twist regulate EMT. We used immunohistochemistry to investigate the expression of zeb1, twist and snai1 in tumor and stromal compartments by in a large set of breast carcinomas. The results were compared with estrogen and progesterone receptor status, HER2 amplification, grade, histology, TNM status and survival of the patients. Nuclear expression for twist was seen in the epithelial tumor cell compartment in 3.6% and for snai1 in 3.1% of the cases while zeb1 was not detected at all in these areas. In contrast, the tumor stromal compartment showed nuclear zeb1 and twist expression in 75% and 52.4% of the cases, respectively. Although rare, nuclear expression of twist in the epithelial tumor cell compartment was associated with a poor outcome of the patients (p = 0.054 log rank, p = 0.013, Breslow, p = 0.025 Tarone-Ware). Expression of snai1, or expression of zeb1 or twist in the stromal compartment did not have any prognostic significance. Furthermore, none of these factors associated with the size of the tumors, nor with the presence of axillary or distant metastases. Expression of zeb1 and twist in the stromal compartment was positively associated with a positive estrogen or progesterone receptor status of the tumors. Stromal zeb1 expression was significantly lower in ductal in situ carcinomas than in invasive carcinomas (p = 0.020). Medullary carcinomas (p = 0.017) and mucinous carcinomas (p = 0.009) had a lower stromal expression of zeb1 than ductal carcinomas. Stromal twist expression was also lower in mucinous (p = 0.017) than in ductal carcinomas. Expression of transcriptional factors zeb1 and twist mainly occur in the stromal compartment of breast carcinomas, possibly representing two populations of cells; EMT transformed neoplastic cells and stromal fibroblastic cells
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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
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Enhancement of turbulent flow heat transfer in a tube with modified twisted tapes
Energy Technology Data Exchange (ETDEWEB)
Lei, Y.G.; Zhao, C.H.; Song, C.F. [College of Environmental Science and Engineering, Taiyuan University of Technology, Taiyuan (China)
2012-12-15
Numerical simulations were performed to study the fluid flow and heat transfer in a tube with staggered twisted tapes with central holes. In the range of Reynolds numbers between 6000 and 28 000, the modified twisted tapes increased the Nusselt number by 76.2 {proportional_to} 149.7 % and the friction factor by 380.2 {proportional_to} 443.8 % compared to the smooth tube. Compared to the typical twisted tapes, the modified twisted tapes produced an acceleration flow through the triangle regions leading to the enhancement of heat transfer, and the holes in the modified tapes reduced the severe pressure loss. It was found that the modified twisted tapes decreased the friction factor by 8.0 {proportional_to} 16.1 % and enhanced the heat transfer by 34.1 {proportional_to} 46.8 % in comparison with the typical tapes. These results indicated that the performance ratio values of the tube with modified twisted tapes were higher than 1.0 in the range of Reynolds numbers studied. The computed performance ratios of the tube with modified twisted tapes were much higher than those of the tube with typical twisted tapes. This means that the integrated performance of the tube with staggered twisted tapes with central holes is superior to that of the tube with typical twisted tapes. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
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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.
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Iterative methods for overlap and twisted mass fermions
International Nuclear Information System (INIS)
Chiarappa, T.; Jansen, K.; Shindler, A.; Wetzorke, I.; Scorzato, L.; Urbach, C.; Wenger, U.
2006-09-01
We present a comparison of a number of iterative solvers of linear systems of equations for obtaining the fermion propagator in lattice QCD. In particular, we consider chirally invariant overlap and chirally improved Wilson (maximally) twisted mass fermions. The comparison of both formulations of lattice QCD is performed at four fixed values of the pion mass between 230 MeV and 720 MeV. For overlap fermions we address adaptive precision and low mode preconditioning while for twisted mass fermions we discuss even/odd preconditioning. Taking the best available algorithms in each case we find that calculations with the overlap operator are by a factor of 30-120 more expensive than with the twisted mass operator. (orig.)
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Iterative methods for overlap and twisted mass fermions
Energy Technology Data Exchange (ETDEWEB)
Chiarappa, T. [Univ. di Milano Bicocca (Italy); Jansen, K.; Shindler, A.; Wetzorke, I. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Nagai, K.I. [Wuppertal Univ. (Gesamthochschule) (Germany). Fachbereich Physik; Papinutto, M. [INFN Sezione di Roma Tre, Rome (Italy); Scorzato, L. [European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT), Villazzano (Italy); Urbach, C. [Liverpool Univ. (United Kingdom). Dept. of Mathematical Sciences; Wenger, U. [ETH Zuerich (Switzerland). Inst. fuer Theoretische Physik
2006-09-15
We present a comparison of a number of iterative solvers of linear systems of equations for obtaining the fermion propagator in lattice QCD. In particular, we consider chirally invariant overlap and chirally improved Wilson (maximally) twisted mass fermions. The comparison of both formulations of lattice QCD is performed at four fixed values of the pion mass between 230 MeV and 720 MeV. For overlap fermions we address adaptive precision and low mode preconditioning while for twisted mass fermions we discuss even/odd preconditioning. Taking the best available algorithms in each case we find that calculations with the overlap operator are by a factor of 30-120 more expensive than with the twisted mass operator. (orig.)
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Template preparation of twisted nanoparticles of mesoporous silica
Institute of Scientific and Technical Information of China (English)
Kui Niu; Zhongbin Ni; Chengwu Fu; Tatsuo Kaneko; Mingqing Chen
2011-01-01
Optical isomers of N-lauroyl-L-(or-D-) alanine sodium salt {C12-L-(or-D-)AlaS} surfactants were used for the preparation of mesoporous silica nanoparticles with a twisted hexagonal rod-like morphology. Thermogravimetric analysis (TGA) was used to determine the temperature for template removal. Circular dichroism (CD) spectra of the surfactant solution with various compositions illustrated the formation and supramolecular assembly of protein-like molecular architecture leading to formation of twisted nanoparticles. Scanning electron microscopy (SEM),high-resolution transmission electron microscopy (HRTEM)and X-ray powder diffraction (XRD) patterns of these as-synthesized mesoporous silica confirmed that the twisted morphology of these nanoparticles was closely related to the supramolecular-assembled complex of amino acid surfactants.
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Correlation Between Expression of Twist and Podoplanin in Ductal Breast Carcinoma.
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.
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Twisted entire cyclic cohomology, J-L-O cocycles and equivariant spectral triples
International Nuclear Information System (INIS)
Goswami, D.
2002-07-01
We study the 'quantized calculus' corresponding to the algebraic ideas related to 'twisted cyclic cohomology'. With very similar definitions and techniques, we define and study 'twisted entire cyclic cohomology' and the 'twisted Chern character' associated with an appropriate operator theoretic data called 'twisted spectral data', which consists of a spectral triple in the conventional sense of noncommutative geometry and an additional positive operator having some specified properties. Furthermore, it is shown that given a spectral triple (in the conventional sense) which is equivariant under the action of a compact matrix pseudogroup, it is possible to obtain a canonical twisted spectral data and hence the corresponding (twisted) Chern character, which will be invariant under the action of the pseudogroup, in contrast to the fact that the Chern character coming from the conventional noncommutative geometry need not be invariant under the above action. (author)
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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
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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.
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Al-Subi, Ali Hanoon; Niemi, Marja; Tkachenko, Nikolai V; Lemmetyinen, Helge
2012-10-04
Photoinduced charge transfer in a double-linked zinc porphyrin-fullerene dyad is studied. When the dyad is excited at the absorption band of the charge-transfer complex (780 nm), an intramolecular exciplex is formed, followed by the complete charge separated (CCS) state. By analyzing the results obtained from time-resolved transient absorption and emission decay measurements in a range of solvents with different polarities, we derived a dependence between the observable lifetimes and internal parameters controlling the reaction rate constants based on the semiquantum Marcus electron-transfer theory. The critical value of the solvent polarity was found to be ε(r) ≈ 6.5: in solvents with higher dielectric constants, the energy of the CCS state is lower than that of the exciplex and the relaxation takes place via the CCS state predominantly, whereas in solvents with lower polarities the energy of the CCS state is higher and the exciplex relaxes directly to the ground state. In solvents with moderate polarities the exciplex and the CCS state are in equilibrium and cannot be separated spectroscopically. The degree of the charge shift in the exciplex relative to that in the CCS state was estimated to be 0.55 ± 0.02. The electronic coupling matrix elements for the charge recombination process and for the direct relaxation of the exciplex to the ground state were found to be 0.012 ± 0.001 and 0.245 ± 0.022 eV, respectively.
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Wilkie, W. Keats; Belvin, W. Keith; Park, K. C.
1996-01-01
A simple aeroelastic analysis of a helicopter rotor blade incorporating embedded piezoelectric fiber composite, interdigitated electrode blade twist actuators is described. The analysis consists of a linear torsion and flapwise bending model coupled with a nonlinear ONERA based unsteady aerodynamics model. A modified Galerkin procedure is performed upon the rotor blade partial differential equations of motion to develop a system of ordinary differential equations suitable for dynamics simulation using numerical integration. The twist actuation responses for three conceptual fullscale blade designs with realistic constraints on blade mass are numerically evaluated using the analysis. Numerical results indicate that useful amplitudes of nonresonant elastic twist, on the order of one to two degrees, are achievable under one-g hovering flight conditions for interdigitated electrode poling configurations. Twist actuation for the interdigitated electrode blades is also compared with the twist actuation of a conventionally poled piezoelectric fiber composite blade. Elastic twist produced using the interdigitated electrode actuators was found to be four to five times larger than that obtained with the conventionally poled actuators.
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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...
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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...
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INTRAMOLECULAR ISOTOPE EFFECTS IN HYDROCARBON MASS SPECTRA
Energy Technology Data Exchange (ETDEWEB)
Stevenson, D. P.; Schachtschneider, J. H.
1963-07-15
Approximate calculations based on the quasi-equilibrium rate theory of the origin of mass spectra are shown to lead to an approximately correct magnitude for the intramolecular ( pi /sup -/) isotope effect on C--H bond dissociation probabilities of various deuterohydrocarbons. (auth)
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International Nuclear Information System (INIS)
Haar, Th. von der; Hebecker, A.; Il'Ichev, Yu.; Kuehnle, W.; Zachariasse, K. A.
1996-01-01
The fast excited state intramolecular charge transfer (ICT) and dual fluorescence observed with several 4-aminobenzonitriles is discussed. It is shown that the magnitude of the energy gap between the two lowest excited states determines the occurrence or absence of ICT. The photophysical behavior of a series of four 4-aminobenzonitriles in which the amino nitrogen atom is part of a four- to seven-membered heterocyclic ring, P4C to P7C, is studied by using time-resolved fluorescence measurements. The ICT rate constant strongly decreases with decreasing ring size. With P4C in diethyl ether ICT does not occur. This is attributed to the increase of the amino nitrogen inversion barrier with decreasing ring size. The change of the amino nitrogen from pyramidal to planar is considered to be an important reaction coordinate. The photophysics of the 4-aminobenzonitriles is different from that of other ICT systems such as donor/acceptor-substituted stilbenes and 9,9'-bianthryl, which are governed by the charge distribution and macroscopic Coulombic interaction in their CT states
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The geometric Langlands twist in five and six dimensions
International Nuclear Information System (INIS)
Bak, Dongsu; Gustavsson, Andreas
2015-01-01
Abelian 6d (2,0) theory has SO(5) R symmetry. We twist this theory by identifying the R symmetry group with the SO(5) subgroup of the SO(1,5) Lorentz group. This twisted theory can be put on any five-manifold M, times R, while preserving one scalar supercharge. We subsequently assume the existence of one unit normalized Killing vector field on M, and we find a corresponding SO(4) twist that preserves two supercharges and is a generalization of the geometric Langlands twist of 4d SYM. We generalize the story to non-Abelian gauge group for the corresponding 5d SYM theories on M. We derive a vanishing theorem for BPS contact instantons by identifying the 6d potential energy and its BPS bound, in the 5d theory. To this end we need to perform a Wick rotation that complexifies the gauge field.
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Higher-Twist Dynamics in Large Transverse Momentum Hadron Production
International Nuclear Information System (INIS)
Francois, Alero
2009-01-01
A scaling law analysis of the world data on inclusive large-p # perpendicular# hadron production in hadronic collisions is carried out. A significant deviation from leading-twist perturbative QCD predictions at next-to-leading order is reported. The observed discrepancy is largest at high values of x # perpendicular# = 2p # perpendicular#/√s. In contrast, the production of prompt photons and jets exhibits the scaling behavior which is close to the conformal limit, in agreement with the leading-twist expectation. These results bring evidence for a non-negligible contribution of higher-twist processes in large-p # perpendicular# hadron production in hadronic collisions, where the hadron is produced directly in the hard subprocess rather than by gluon or quark jet fragmentation. Predictions for scaling exponents at RHIC and LHC are given, and it is suggested to trigger the isolated large-p # perpendicular# hadron production to enhance higher-twist processes.
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Femtosecond dynamics of a cardiotonic medicine (milrinone) in neutral water
Gil, M.; Douhal, A.
2006-09-01
Milrinone is a medicine used to attenuate heart attack disease. Understanding its interaction with water is of importance for the knowledge of its stability and related phenomena. This intimate information requires the unraveling of the dynamics under the physiological conditions. Here we report the first study of ultrafast processes of this medicine. We show that S 2 relaxation of the keto structure (K) occurs in ˜150 fs and the intramolecular-charge transfer reaction in less than 100 fs to produce a relaxed CT-K state. An observed ˜10 ps decay is assigned to vibrational relaxation/cooling and twisting in the formed CT-K.
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Periodic solutions of asymptotically linear Hamiltonian systems without twist conditions
Energy Technology Data Exchange (ETDEWEB)
Cheng Rong [Coll. of Mathematics and Physics, Nanjing Univ. of Information Science and Tech., Nanjing (China); Dept. of Mathematics, Southeast Univ., Nanjing (China); Zhang Dongfeng [Dept. of Mathematics, Southeast Univ., Nanjing (China)
2010-05-15
In dynamical system theory, especially in many fields of applications from mechanics, Hamiltonian systems play an important role, since many related equations in mechanics can be written in an Hamiltonian form. In this paper, we study the existence of periodic solutions for a class of Hamiltonian systems. By applying the Galerkin approximation method together with a result of critical point theory, we establish the existence of periodic solutions of asymptotically linear Hamiltonian systems without twist conditions. Twist conditions play crucial roles in the study of periodic solutions for asymptotically linear Hamiltonian systems. The lack of twist conditions brings some difficulty to the study. To the authors' knowledge, very little is known about the case, where twist conditions do not hold. (orig.)
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Higher-Twist Distribution Amplitudes of the K Meson in QCD
Ball, P; Lenz, A; Ball, Patricia
2006-01-01
We present a systematic study of twist-3 and twist-4 light-cone distribution amplitudes of the K meson in QCD. The structure of SU(3)-breaking corrections is studied in detail. Non-perturbative input parameters are estimated from QCD sum rules and renormalons. As a by-product, we give a complete reanalysis of the twist-3 and -4 parameters of the pi-meson distribution amplitudes; some of the results differ from those usually quoted in the literature.
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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.
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Cerclage handling for improved fracture treatment. A biomechanical study on the twisting procedure.
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.
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AKT-ions with a TWIST between EMT and MET.
Tang, Huifang; Massi, Daniela; Hemmings, Brian A; Mandalà, Mario; Hu, Zhengqiang; Wicki, Andreas; Xue, Gongda
2016-09-20
The transcription factor Twist is an important regulator of cranial suture during embryogenesis. Closure of the neural tube is achieved via Twist-triggered cellular transition from an epithelial to mesenchymal phenotype, a process known as epithelial-mesenchymal transition (EMT), characterized by a remarkable increase in cell motility. In the absence of Twist activity, EMT and associated phenotypic changes in cell morphology and motility can also be induced, albeit moderately, by other transcription factor families, including Snail and Zeb. Aberrant EMT triggered by Twist in human mammary tumour cells was first reported to drive metastasis to the lung in a metastatic breast cancer model. Subsequent analysis of many types of carcinoma demonstrated overexpression of these unique EMT transcription factors, which statistically correlated with worse outcome, indicating their potential as biomarkers in the clinic. However, the mechanisms underlying their activation remain unclear. Interestingly, increasing evidence indicates they are selectively activated by distinct intracellular kinases, thereby acting as downstream effectors facilitating transduction of cytoplasmic signals into nucleus and reprogramming EMT and mesenchymal-epithelial transition (MET) transcription to control cell plasticity. Understanding these relationships and emerging data indicating differential phosphorylation of Twist leads to complex and even paradoxical functionalities, will be vital to unlocking their potential in clinical settings.
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Hata, K.; Fukuda, K.; Masuzaki, S.
2018-04-01
Twisted-tape-induced swirl-flow heat transfer due to exponentially increasing heat inputs with various exponential periods ( Q = Q 0 exp(t/τ), τ = 6.04 to 23.07 s) and twisted-tape-induced pressure drop was systematically measured for various mass velocities ( G = 4115 to 13,656 kg/m2 s), inlet liquid temperatures ( T in = 285.88 to 299.09 K), and inlet pressures ( P in = 847.45 to 943.29 kPa) using an experimental water loop flow. Measurements were made over a 59.2-mm effective length and three sections (upper, middle, and lower positions), within which four potential taps were spot-welded onto the outer surface of a 6-mm-inner-diameter, 69.6-mm-heated length, 0.4-mm-thickness platinum circular test tube. Type SUS304 twisted tapes with a width w = 5.6 mm, a thickness δ T = 0.6 mm, a total length l = 372 mm, and twist ratios y = 2.39 and 4.45 were employed in this study. The RANS equations (Reynolds Averaged Navier-Stokes Simulation) with a k-ɛ turbulence model for a circular tube 6 mm in diameter and 636 mm in length were numerically solved for heating of water with a heated section 6 mm in diameter and 70 mm in length using the CFD code, under the same conditions as the experimental ones and considering the temperature dependence of the thermo-physical properties concerned. The theoretical values of surface heat flux q on the circular tubes with twisted tapes with twist ratios y of 2.39 and 4.45 were found to be almost in agreement with the corresponding experimental values of heat flux q, with deviations of less than 30% for the range of temperature difference between the average heater inner surface temperature and the liquid bulk mean temperature ΔT L [ = T s,av - T L , T L = ( T in + T out )/2] considered in this study. The theoretical values of the local surface temperature T s , local average liquid temperature T f,av , and local liquid pressure drop ΔP x were found to be within almost 15% of the corresponding experimental ones. The thickness of the
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'Twisted' strings and higher level Kac-Moody representations
International Nuclear Information System (INIS)
Horvath, Z.; Palla, L.
1989-01-01
Using an orbifold-like construction the twisted sector of a closed string moving on GxG (with G simply laced) is determined. A level-two G current operating there is constructed explicitly. The decomposition of the twisted sector into products between appropriate conformal and level-two G representations is given if 2 rank G-2 dim G/(2+g)<1. (orig.)
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Sox5 induces epithelial to mesenchymal transition by transactivation of Twist1
International Nuclear Information System (INIS)
Pei, Xin-Hong; Lv, Xin-Quan; Li, Hui-Xiang
2014-01-01
Highlights: • Depletion of Sox5 inhibits breast cancer proliferation, migration, and invasion. • Sox5 transactivates Twist1 expression. • Sox5 induces epithelial to mesenchymal transition through transactivation of Twist1 expression. - Abstract: The epithelial to mesenchymal transition (EMT), a highly conserved cellular program, plays an important role in normal embryogenesis and cancer metastasis. Twist1, a master regulator of embryonic morphogenesis, is overexpressed in breast cancer and contributes to metastasis by promoting EMT. In exploring the mechanism underlying the increased Twist1 in breast cancer cells, we found that the transcription factor SRY (sex-determining region Y)-box 5(Sox5) is up-regulation in breast cancer cells and depletion of Sox5 inhibits breast cancer cell proliferation, migration, and invasion. Furthermore, depletion of Sox5 in breast cancer cells caused a dramatic decrease in Twist1 and chromosome immunoprecipitation assay showed that Sox5 can bind directly to the Twist1 promoter, suggesting that Sox5 transactivates Twist1 expression. We further demonstrated that knockdown of Sox5 up-regulated epithelial phenotype cell biomarker (E-cadherin) and down-regulated mesenchymal phenotype cell biomarkers (N-cadherin, Vimentin, and Fibronectin 1), resulting in suppression of EMT. Our study suggests that Sox5 transactivates Twist1 expression and plays an important role in the regulation of breast cancer progression
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Twisted spin Sutherland models from quantum Hamiltonian reduction
International Nuclear Information System (INIS)
Feher, L; Pusztai, B G
2008-01-01
Recent general results on Hamiltonian reductions under polar group actions are applied to study some reductions of the free particle governed by the Laplace-Beltrami operator of a compact, connected, simple Lie group. The reduced systems associated with arbitrary finite-dimensional irreducible representations of the group by using the symmetry induced by twisted conjugations are described in detail. These systems generically yield integrable Sutherland-type many-body models with spin, which are called twisted spin Sutherland models if the underlying twisted conjugations are built on non-trivial Dynkin diagram automorphisms. The spectra of these models can be calculated, in principle, by solving certain Clebsch-Gordan problems, and the result is presented for the models associated with the symmetric tensorial powers of the defining representation of SU(N)
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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.
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Extension-twist coupling of composite circular tubes with application to tilt rotor blade design
Nixon, Mark W.
1987-01-01
This investigation was conducted to determine if twist deformation required for the design of full-scale extension-twist-coupled tilt-rotor blades can be achieved within material design limit loads, and to demonstrate the accuracy of a coupled-beam analysis in predicting twist deformations. Two extension-twist-coupled tilt-rotor blade designs were developed based on theoretically optimum aerodynamic twist distributions. The designs indicated a twist rate requirement of between .216 and .333 deg/in. Agreement between axial tests and analytical predictions was within 10 percent at design limit loads. Agreement between the torsion tests and predictions was within 11 percent.
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PARTIAL ERUPTION OF A FILAMENT WITH TWISTING NON-UNIFORM FIELDS
International Nuclear Information System (INIS)
Bi, Yi; Jiang, Yunchun; Yang, Jiayan; Xiang, Yongyuan; Cai, Yunfang; Liu, Weiwei
2015-01-01
The eruption of a filament in a kinklike fashion is often regarded as a signature of kink instability. However, the kink instability threshold for the filament’s magnetic structure is not widely understood. Using Hα observations from the New Vacuum Solar Telescope, we present a partial eruptive filament. During the eruption, the filament thread appeared to split from its middle and to break out in a kinklike fashion. In this period, the remaining filament material stayed below and erupted without the kinking motion later on. The coronal magnetic field lines associated with the filament are obtained from nonlinear force-free field extrapolations using the twelve-minute-cadence vector magnetograms of the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamic Observatory. We studied the extrapolated field lines passing through the magnetic dips which are in good agreement with the observed filament. The field lines are non-uniformly twisted and appear to be composed of two twisted flux ropes winding around each other. One of them has a higher twist than the other, and the flux rope with the higher twist has its dips aligned with the kinking eruptive thread at the beginning of its eruption. Before the eruption, moreover, the flux rope with the higher twist was found to expand with an approximately constant field twist. In addition, the helicity flux maps deduced from the HMI magnetograms show that some helicity is injected into the overlying magnetic arcade, but no significant helicity is injected into the flux ropes. Accordingly, we suggest that the highly twisted flux rope became kink unstable when the instability threshold declined with the expansion of the flux rope
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Effect of Conjugation Length on Photoinduced Charge-Transfer in π-Conjugated Oligomer-Acceptor Dyads
Jiang, Junlin
2017-05-25
A series of -conjugated oligomer-acceptor dyads were synthesized that feature oligo(phenylene ethynylene) (OPE) conjugated backbones end-capped with a naphthalene diimide (NDI) acceptor. The OPE segments vary in length from 4 to 8 phenylene ethynene units (PEn-NDI, where n = 4, 6 and 8). Fluorescence and transient absorption spectroscopy reveals that intramolecular OPE NDI charge transfer dominates the deactivation of excited states of the PEn-NDI oligomers. Both charge separation (CS) and charge recombination (CR) are strongly exothermic (G0CS ~ -1.1 and G0CR ~ -2.0 eV), and the driving forces do not vary much across the series because the oxidation and reduction potentials and singlet energies of the OPEs do not vary much with their length. Bimolecular photoinduced charge transfer between model OPEs that do not contain the NDI acceptors with methyl viologen was studied, and the results reveal that the absorption of the cation radical state (OPE+•) remains approximately constant ( ~ 575 nm) regardless of oligomer length. This finding suggests that the cation radical (polaron) of the OPE is relatively localized, effectively occupying a confined segment of n 4 repeat units in the longer oligomers. Photoinduced intramolecular electron transfer dynamics in the PEn-NDI series was investigated by UV-visible femtosecond transient absorption spectroscopy with visible and mid-infrared probes. Charge separation occurs on the 1 – 10 ps timescale, with the rates decreasing slightly with increased oligomer length (βCS ~ 0.15 Å-1). The rate for charge-recombination decreases in the sequence PE4-NDI > PE6-NDI ~ PE8-NDI. The discontinuous distance dependence in the rate for charge recombination may be related to the spatial localization of the positive polaron state in the longer oligomers.
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Effect of Conjugation Length on Photoinduced Charge-Transfer in π-Conjugated Oligomer-Acceptor Dyads
Jiang, Junlin; Alsam, Amani Abdu; Wang, Shanshan; Aly, Shawkat Mohammede; Pan, Zhenxing; Mohammed, Omar F.; Schanze, Kirk S.
2017-01-01
A series of -conjugated oligomer-acceptor dyads were synthesized that feature oligo(phenylene ethynylene) (OPE) conjugated backbones end-capped with a naphthalene diimide (NDI) acceptor. The OPE segments vary in length from 4 to 8 phenylene ethynene units (PEn-NDI, where n = 4, 6 and 8). Fluorescence and transient absorption spectroscopy reveals that intramolecular OPE NDI charge transfer dominates the deactivation of excited states of the PEn-NDI oligomers. Both charge separation (CS) and charge recombination (CR) are strongly exothermic (G0CS ~ -1.1 and G0CR ~ -2.0 eV), and the driving forces do not vary much across the series because the oxidation and reduction potentials and singlet energies of the OPEs do not vary much with their length. Bimolecular photoinduced charge transfer between model OPEs that do not contain the NDI acceptors with methyl viologen was studied, and the results reveal that the absorption of the cation radical state (OPE+•) remains approximately constant ( ~ 575 nm) regardless of oligomer length. This finding suggests that the cation radical (polaron) of the OPE is relatively localized, effectively occupying a confined segment of n 4 repeat units in the longer oligomers. Photoinduced intramolecular electron transfer dynamics in the PEn-NDI series was investigated by UV-visible femtosecond transient absorption spectroscopy with visible and mid-infrared probes. Charge separation occurs on the 1 – 10 ps timescale, with the rates decreasing slightly with increased oligomer length (βCS ~ 0.15 Å-1). The rate for charge-recombination decreases in the sequence PE4-NDI > PE6-NDI ~ PE8-NDI. The discontinuous distance dependence in the rate for charge recombination may be related to the spatial localization of the positive polaron state in the longer oligomers.
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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.
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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.)
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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.)
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Composite material bend-twist coupling for wind turbine blade applications
Walsh, Justin M.
Current efforts in wind turbine blade design seek to employ bend-twist coupling of composite materials for passive power control by twisting blades to feather. Past efforts in this area of study have proved to be problematic, especially in formulation of the bend-twist coupling coefficient alpha. Kevlar/epoxy, carbon/epoxy and glass/epoxy specimens were manufactured to study bend-twist coupling, from which numerical and analytical models could be verified. Finite element analysis was implemented to evaluate fiber orientation and material property effects on coupling magnitude. An analytical/empirical model was then derived to describe numerical results and serve as a replacement for the commonly used coupling coefficient alpha. Through the results from numerical and analytical models, a foundation for aeroelastic design of wind turbines blades utilizing biased composite materials is provided.
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Flux Density through Guides with Microstructured Twisted Clad DB Medium
Directory of Open Access Journals (Sweden)
M. A. Baqir
2014-01-01
Full Text Available The paper deals with the study of flux density through a newly proposed twisted clad guide containing DB medium. The inner core and the outer clad sections are usual dielectrics, and the introduced twisted windings at the core-clad interface are treated under DB boundary conditions. The pitch angle of twist is supposed to greatly contribute towards the control over the dispersion characteristics of the guide. The eigenvalue equation for the guiding structure is deduced, and the analytical investigations are made to explore the propagation patterns of flux densities corresponding to the sustained low-order hybrid modes under the situation of varying pitch angles. The emphasis has been put on the effects due to the DB twisted pitch on the propagation of energy flux density through the guide.
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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.
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Chirality-controlled spontaneous twisting of crystals due to thermal topochemical reaction.
Rai, Rishika; Krishnan, Baiju P; Sureshan, Kana M
2018-03-20
Crystals that show mechanical response against various stimuli are of great interest. These stimuli induce polymorphic transitions, isomerizations, or chemical reactions in the crystal and the strain generated between the daughter and parent domains is transcribed into mechanical response. We observed that the crystals of modified dipeptide LL (N 3 -l-Ala-l-Val-NHCH 2 C≡CH) undergo spontaneous twisting to form right-handed twisted crystals not only at room temperature but also at 0 °C over time. Using various spectroscopic techniques, we have established that the twisting is due to the spontaneous topochemical azide-alkyne cycloaddition (TAAC) reaction at room temperature or lower temperatures. The rate of twisting can be increased by heating, exploiting the faster kinetics of the TAAC reaction at higher temperatures. To address the role of molecular chirality in the direction of twisting the enantiomer of dipeptide LL, N 3 -d-Ala-d-Val-NHCH 2 C≡CH (DD), was synthesized and topochemical reactivity and mechanoresponse of its crystals were studied. We have found that dipeptide DD not only underwent TAAC reaction, giving 1,4-triazole-linked pseudopolypeptides of d-amino acids, but also underwent twisting with opposite handedness (left-handed twisting), establishing the role of molecular chirality in controlling the direction of mechanoresponse. This paper reports ( i ) a mechanical response due to a thermal reaction and ( ii ) a spontaneous mechanical response in crystals and ( iii ) explains the role of molecular chirality in the handedness of the macroscopic mechanical response.
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The Tensor and the Scalar Charges of the Nucleon from Hadron Phenomenology
Courtoy, A.
2018-01-01
We discuss the impact of the determination of the nucleon tensor charge on searches for physics Beyond the Standard Model. We also comment on the future extraction of the subleading-twist PDF e(x) from Jefferson Lab soon-to-be-released Beam Spin Asymmetry data as well as from the expected data of CLAS12 and SoLID, as the latter is related to the scalar charge. These analyses are possible through the phenomenology of Dihadron Fragmentation Functions related processes, which we report on here as well.
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On the twists of interplanetary magnetic flux ropes observed at 1 AU
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.
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Arutyunov, G.E.; de Leeuw, M.; van Tongeren, S.J.
2010-01-01
We study finite-size corrections to the magnon dispersion relation in three models which differ from string theory on AdS5 x S5 in their boundary conditions. Asymptotically, this is accomplished by twisting the transfer matrix in a way which manifestly preserves integrability. In model I all
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Finite element and analytical models for twisted and coiled actuator
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.
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New dualities and misleading anomaly matchings from outer-automorphism twists
Energy Technology Data Exchange (ETDEWEB)
Pal, Sridip; Song, Jaewon [Department of Physics, University of California, San Diego,La Jolla, CA 92093 (United States)
2017-03-29
We study four-dimensional N=1,2 superconformal theories in class S obtained by compactifying the 6d N=(2,0) theory on a Riemann surface C with outer-automorphism twist lines. From the pair-of-pants decompositions of C, we find various dual descriptions for the same theory having distinct gauge groups. We show that the various configurations of the twist line give rise to dual descriptions for the identical theory. We compute the ’t Hooft anomaly coefficients and the superconformal indices to test dualities. Surprisingly, we find that the class S theories with twist lines wrapping 1-cycles of C have the identical ’t Hooft anomalies as the ones without the twist line, whereas the superconformal indices differ. This provides a large set of examples where the anomaly matching is insufficient to test dualities.
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International Nuclear Information System (INIS)
Choi, Jung Kwon; Kim, Yang Hee; Yoon, Min Joong; Lee, Seung Joon; Kim, Kwan; Jeoung, Sae Chae
2001-01-01
The silver colloidal effects on the excited-state structure and intramolecular charge transfer (ICT) of p-N,N-dimethylaminobenzoic acid (DMABA) in aqueous cyclodextrin (CD) solutions have been investigated by UV-VIS absorption, steady-state and time-resolved fluorescence, and transient Raman spectroscopy. As the concentration of silver colloids increases, the ratio of the ICT emission to the normal emission (I a /I b ) of DMABA in the aqueous α-CD solutions are greatly decreased while the I a /I b values in the aqueous β-CD solutions are significantly enhanced. It is also noteworthy that the ICT emission maxima are red-shifted by 15-40 nm upon addition of silver colloids, implying that DMABA encapsulated in α-CD or β-CD cavity is exposed to more polar environment. The transient resonance Raman spectra of DMABA in silver colloidal solutions demonstrate that DMABA in the excited-state is desorbed from silver colloidal surfaces as demonstrated by the disappearance of v s (CO 2 - )(1380 cm -1 ) with appearance of v (C-OH)(1280 cm -1 ) band, respectively. Thus, in the aqueous β-CD solutions the carboxylic acid group of DMABA in the excited-state can be readily hydrogen bonded with the secondary hydroxyl group of β-CD while in aqueous and α-CD solutions the carboxylic acid group of DMABA has the hydrogen-bonding interaction with water. Consequently, in the aqueous β-CD solutions the enhancement of the I a /I b value arises from the intermolecular hydrogen-bonding interaction between DMABA and the secondary hydroxyl group of β-CD as well as the lower polarity of the rim of the β-CD cavity compared to bulk water. This is also supported by the increase of the association constant for DMABA/β-CD complex in the presence of silver colloids
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Leading twist moments of the neutron structure function F_2n
Energy Technology Data Exchange (ETDEWEB)
M. Osipenko; W. Melnitchouk; S. Simula; S. Kulagin; G. Ricco
2005-10-20
We perform a global analysis of neutron $F_2^n$ structure function data, obtained by combining proton and deuteron measurements over a large range of kinematics. From these data the lowest moments ($n \\leq 10$) of the leading twist neutron $F_2^n$ structure function are extracted. Particular attention is paid to nuclear effects in the deuteron, which become increasingly important for the higher moments. Our results for the nonsinglet, isovector $p - n$ combination of the leading twist moments are compared with those of available lattice simulations. We also determine the lowest few moments of the higher twist contributions, obtained by subtracting the leading twist from the total structure function, and analyze their isospin dependence.
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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)
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A Transformation Called "Twist"
Hwang, Daniel
2010-01-01
The transformations found in secondary mathematics curriculum are typically limited to stretches and translations (e.g., ACARA, 2010). Advanced students may find the transformation, twist, to be of further interest. As most available resources are written for professional-level readers, this article is intended to be an introduction accessible to…
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Electrical transport properties of an isolated CdS microrope composed of twisted nanowires
Yu, Gui-Feng; Yu, Miao; Pan, Wei; Han, Wen-Peng; Yan, Xu; Zhang, Jun-Cheng; Zhang, Hong-Di; Long, Yun-Ze
2015-01-01
CdS is one of the important II-VI group semiconductors. In this paper, the electrical transport behavior of an individual CdS microrope composed of twisted nanowires is studied. It is found that the current-voltage ( I- V) characteristics show two distinct power law regions from 360 down to 60 K. Space-charge-limited current (SCLC) theory is used to explain these temperature- and electric-field-dependent I-V curves. The I-V data can be well fitted by this theory above 100 K, and the corresponding carrier mobility, trap energy, and trap concentration are also obtained. However, the I-V data exhibit some features of the Coulomb blockade effect below 80 K.
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Electrical transport properties of an isolated CdS microrope composed of twisted nanowires.
Yu, Gui-Feng; Yu, Miao; Pan, Wei; Han, Wen-Peng; Yan, Xu; Zhang, Jun-Cheng; Zhang, Hong-Di; Long, Yun-Ze
2015-01-01
CdS is one of the important II-VI group semiconductors. In this paper, the electrical transport behavior of an individual CdS microrope composed of twisted nanowires is studied. It is found that the current-voltage (I-V) characteristics show two distinct power law regions from 360 down to 60 K. Space-charge-limited current (SCLC) theory is used to explain these temperature- and electric-field-dependent I-V curves. The I-V data can be well fitted by this theory above 100 K, and the corresponding carrier mobility, trap energy, and trap concentration are also obtained. However, the I-V data exhibit some features of the Coulomb blockade effect below 80 K.
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Central charge for AdS2 quantum gravity
International Nuclear Information System (INIS)
Hartman, Thomas; Strominger, Andrew
2009-01-01
Two-dimensional Maxwell-dilaton quantum gravity on AdS 2 with radius l and a constant electric field E is studied. In conformal gauge, this is equivalent to a CFT on a strip. In order to maintain consistent boundary conditions, the usual conformal diffeomorphisms must be accompanied by a certain U(1) gauge transformation. The resulting conformal transformations are generated by a twisted stress tensor, which has a central charge c = 3kE 2 l 4 /4 where k is the level of the U(1) current. This is an AdS 2 analog of the Brown-Henneaux formula c = 3l/2G for the central charge of quantum gravity on AdS 3 .
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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
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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
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Directory of Open Access Journals (Sweden)
Liliana Mammino
2017-08-01
Full Text Available Arzanol is a naturally-occurring prenylated acylphloroglucinol isolated from Helichrysum italicum and exhibiting anti-oxidant, antibiotic and antiviral activities. The molecule contains an α-pyrone moiety attached to the phloroglucinol moiety through a methylene bridge. The presence of several hydrogen bond donor or acceptor sites makes intramolecular hydrogen bonding patterns the dominant stabilising factor. Conformers with all the possible different hydrogen bonding patterns were calculated at the HF/6-31G(d,p and DFT/B3LYP/6-31+G(d,p levels with fully relaxed geometry in vacuo and in three solvents—chloroform, acetonitrile and water (these levels being chosen to enable comparisons with previous studies on acylphloroglucinols. Calculations in solution were performed with the Polarisable Continuum Model. The results show that the lowest energy conformers have the highest number of stronger intramolecular hydrogen bonds. The influence of intramolecular hydrogen bonding patterns on the other molecular properties is also analysed.
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Design optimization for active twist rotor blades
Mok, Ji Won
This dissertation introduces the process of optimizing active twist rotor blades in the presence of embedded anisotropic piezo-composite actuators. Optimum design of active twist blades is a complex task, since it involves a rich design space with tightly coupled design variables. The study presents the development of an optimization framework for active helicopter rotor blade cross-sectional design. This optimization framework allows for exploring a rich and highly nonlinear design space in order to optimize the active twist rotor blades. Different analytical components are combined in the framework: cross-sectional analysis (UM/VABS), an automated mesh generator, a beam solver (DYMORE), a three-dimensional local strain recovery module, and a gradient based optimizer within MATLAB. Through the mathematical optimization problem, the static twist actuation performance of a blade is maximized while satisfying a series of blade constraints. These constraints are associated with locations of the center of gravity and elastic axis, blade mass per unit span, fundamental rotating blade frequencies, and the blade strength based on local three-dimensional strain fields under worst loading conditions. Through pre-processing, limitations of the proposed process have been studied. When limitations were detected, resolution strategies were proposed. These include mesh overlapping, element distortion, trailing edge tab modeling, electrode modeling and foam implementation of the mesh generator, and the initial point sensibility of the current optimization scheme. Examples demonstrate the effectiveness of this process. Optimization studies were performed on the NASA/Army/MIT ATR blade case. Even though that design was built and shown significant impact in vibration reduction, the proposed optimization process showed that the design could be improved significantly. The second example, based on a model scale of the AH-64D Apache blade, emphasized the capability of this framework to
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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.
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Performance improvement of small-scale rotors by passive blade twist control
Lv, Peng; Prothin, Sebastien; Mohd Zawawi, Fazila; Bénard, Emmanuel; Morlier, Joseph; Moschetta, Jean-Marc
2015-01-01
A passive twist control is proposed as an adaptive way to maximize the overall efficiency of the small-scale rotor blade for multifunctional aircrafts. Incorporated into a database of airfoil characteristics, Blade Element Momentum Theory is implemented to obtain the blade optimum twist rates for hover and forward flight. In order to realize the required torsion of blade between hover and forward flight, glass/epoxy laminate blade is proposed based on Centrifugal Force Induced Twist concept. ...
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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
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De Boeck, Benoit; Herbert, Nicola M A; Harrington-Frost, Nicole M; Pattenden, Gerald
2005-01-21
Treatment of a variety of substituted vinylcyclopropyl selenyl esters, e.g. 11, with Bu(3)SnH-AIBN in refluxing benzene leads to the corresponding acyl radical intermediates, which undergo rearrangement and intramolecular cyclisations via their ketene alkyl radical equivalents producing cyclohexenones in 50-60% yield. By contrast, treatment of conjugated triene selenyl esters, e.g. 32, with Bu(3)SnH-AIBN produces substituted 2-cyclopentenones via intramolecular cyclisations of their ketene alkyl radical intermediates. Under the same radical-initiating conditions the selenyl esters derived from o-vinylbenzoic acid and o-vinylcinnamic acid undergo intramolecular cyclisations producing 1-indanone and 5,6-dihydrobenzocyclohepten-7-one respectively in 60-70% yields. A tandem radical cyclisation from the alpha,beta,gamma,delta-diene selenyl ester 31 provides an expeditious synthesis of the diquinane 35 in 69% yield.
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Valve-aided twisted Savonius rotor
Energy Technology Data Exchange (ETDEWEB)
Jaya Rajkumar, M.; Saha, U.K.
2006-05-15
Accessories, such as end plates, deflecting plates, shielding and guide vanes, may increase the power of a Savonius rotor, but make the system structurally complex. In such cases, the rotor can develop a relatively large torque at small rotational speeds and is cheap to build, however it harnesses only a small fraction of the incident wind energy. Another proposition for increasing specific output is to place non-return valves inside the concave side of the blades. Such methods have been studied experimentally with a twisted-blade Thus improving a Savonius rotor's energy capture. This new concept has been named as the 'Valve-Aided Twisted Savonius'rotor. Tests were conducted in a low-speed wind tunnel to evaluate performance. This mechanism is found to be independent of flow direction, and shows potential for large machines. [Author].
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Twisting failure of centrally loaded open-section columns in the elastic range
Kappus, Robert
1938-01-01
In the following report a complete theory of twisting failure by the energy method is developed, based on substantially the same assumptions as those employed by Wagner and Bleich. Problems treated in detail are: the stress and strain condition under St. Venant twist and in twist with axial constraint; the concept of shear center and the energy method for problems of elastic stability.
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Imidazole as a parent π-conjugated backbone in charge-transfer chromophores
Directory of Open Access Journals (Sweden)
Jiří Kulhánek
2012-01-01
Full Text Available Research activities in the field of imidazole-derived push–pull systems featuring intramolecular charge transfer (ICT are reviewed. Design, synthetic pathways, linear and nonlinear optical properties, electrochemistry, structure–property relationships, and the prospective application of such D-π-A organic materials are described. This review focuses on Y-shaped imidazoles, bi- and diimidazoles, benzimidazoles, bis(benzimidazoles, imidazole-4,5-dicarbonitriles, and imidazole-derived chromophores chemically bound to a polymer chain.
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Exploring exotic states with twisted boundary conditions
International Nuclear Information System (INIS)
Agadjanov, Dimitri
2017-01-01
he goal of this thesis is to develop methods to study the nature and properties of exotic hadrons from lattice simulations. The main focus lies in the application of twisted boundary conditions. The thesis consists of a general introduction and the collection of three papers, represented respectively in three chapters. The introduction of the thesis reviews the theoretical background, which is further used in the rest of the thesis. Further implementing partially twisted boundary conditions in the scalar sector of lattice QCD is studied. Then we develop a method to study the content of the exotic hadrons by determining the wave function renormalization constant from lattice simulations, exploiting the dependence of the spectrum on the twisted boundary conditions. The final chapter deals with a novel method to study the multi-channel scattering problem in a finite volume, which is relevant for exotic states. Its key idea is to extract the complex hadron-hadron optical potential, avoiding the difficulties, associated with the solution of the multi-channel Luescher equation.
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Exploring exotic states with twisted boundary conditions
Energy Technology Data Exchange (ETDEWEB)
Agadjanov, Dimitri
2017-09-11
he goal of this thesis is to develop methods to study the nature and properties of exotic hadrons from lattice simulations. The main focus lies in the application of twisted boundary conditions. The thesis consists of a general introduction and the collection of three papers, represented respectively in three chapters. The introduction of the thesis reviews the theoretical background, which is further used in the rest of the thesis. Further implementing partially twisted boundary conditions in the scalar sector of lattice QCD is studied. Then we develop a method to study the content of the exotic hadrons by determining the wave function renormalization constant from lattice simulations, exploiting the dependence of the spectrum on the twisted boundary conditions. The final chapter deals with a novel method to study the multi-channel scattering problem in a finite volume, which is relevant for exotic states. Its key idea is to extract the complex hadron-hadron optical potential, avoiding the difficulties, associated with the solution of the multi-channel Luescher equation.
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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
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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.
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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
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Directory of Open Access Journals (Sweden)
Daijiro Fukuda
2004-01-01
Full Text Available Using diagrammatic pictures of tensor contractions, we consider a Hopf algebra (Aop⊗ℛλA** twisted by an element ℛλ∈A*⊗Aop corresponding to a Hopf algebra morphism λ:A→A. We show that this Hopf algebra is quasitriangular with the universal R-matrix coming from ℛλ when λ2=idA, generalizing the quantum double construction which corresponds to the case λ=idA.
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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.
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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.
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Wilkie, William Keats
1997-12-01
An aeroelastic model suitable for control law and preliminary structural design of composite helicopter rotor blades incorporating embedded anisotropic piezoelectric actuator laminae is developed. The aeroelasticity model consists of a linear, nonuniform beam representation of the blade structure, including linear piezoelectric actuation terms, coupled with a nonlinear, finite-state unsteady aerodynamics model. A Galerkin procedure and numerical integration in the time domain are used to obtain a soluti An aeroelastic model suitable for control law and preliminary structural design of composite helicopter rotor blades incorporating embedded anisotropic piezoelectric actuator laminae is developed. The aeroelasticity model consists of a linear, nonuniform beam representation of the blade structure, including linear piezoelectric actuation terms, coupled with a nonlinear, finite-state unsteady aerodynamics model. A Galerkin procedure and numerical integration in the time domain are used to obtain amited additional piezoelectric material mass, it is shown that blade twist actuation approaches which exploit in-plane piezoelectric free-stain anisotropies are capable of producing amplitudes of oscillatory blade twisting sufficient for rotor vibration reduction applications. The second study examines the effectiveness of using embedded piezoelectric actuator laminae to alleviate vibratory loads due to retreating blade stall. A 10 to 15 percent improvement in dynamic stall limited forward flight speed, and a 5 percent improvement in stall limited rotor thrust were numerically demonstrated for the active twist rotor blade relative to a conventional blade design. The active twist blades are also demonstrated to be more susceptible than the conventional blades to dynamic stall induced vibratory loads when not operating with twist actuation. This is the result of designing the active twist blades with low torsional stiffness in order to maximize piezoelectric twist authority
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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......, lambda = 135 kJ mol-1 for the reorganization energy was derived. When Trp48, situated midway between the donor and the acceptor, was replaced by Leu or Met, only a small change in the rate of intramolecular electron transfer was observed, indicating that the aromatic residue in this position...... is apparently only marginally involved in electron transfer in wild-type azurin. Pathway calculations also suggest that a longer, through-backbone path is more efficient than the shorter one involving Trp48. The former pathway yields an exponential decay factor, beta, of 6.6 nm-1. Another mutation, raising...
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Nucleon structure by Lattice QCD computations with twisted mass fermions
International Nuclear Information System (INIS)
Harraud, P.A.
2010-11-01
Understanding the structure of the nucleon from quantum chromodynamics (QCD) is one of the greatest challenges of hadronic physics. Only lattice QCD allows to determine numerically the values of the observables from ab-initio principles. This thesis aims to study the nucleon form factors and the first moments of partons distribution functions by using a discretized action with twisted mass fermions. As main advantage, the discretization effects are suppressed at first order in the lattice spacing. In addition, the set of simulations allows a good control of the systematical errors. After reviewing the computation techniques, the results obtained for a wide range of parameters are presented, with lattice spacings varying from 0.0056 fm to 0.089 fm, spatial volumes from 2.1 up to 2.7 fm and several pion masses in the range of 260-470 MeV. The vector renormalization constant was determined in the nucleon sector with improved precision. Concerning the electric charge radius, we found a finite volume effect that provides a key towards an explanation of the chiral dependence of the physical point. The results for the magnetic moment, the axial charge, the magnetic and axial charge radii, the momentum and spin fractions carried by the quarks show no dependence on the lattice spacing nor volume. In our range of pion masses, their values show a deviation from the experimental values. Their chiral behaviour do not exhibit the curvature predicted by the chiral perturbation theory which could explain the apparent discrepancy. (author)
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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)
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Quantum communication through a spin ring with twisted boundary conditions
International Nuclear Information System (INIS)
Bose, S.; Jin, B.-Q.; Korepin, V.E.
2005-01-01
We investigate quantum communication between the sites of a spin ring with twisted boundary conditions. Such boundary conditions can be achieved by a magnetic flux through the ring. We find that a nonzero twist can improve communication through finite odd-numbered rings and enable high-fidelity multiparty quantum communication through spin rings (working near perfectly for rings of five and seven spins). We show that in certain cases, the twist results in the complete blockage of quantum-information flow to a certain site of the ring. This effect can be exploited to interface and entangle a flux qubit and a spin qubit without embedding the latter in a magnetic field
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Wilkie, W. Keats; Park, K. C.
1996-01-01
A simple aeroelastic analysis of a helicopter rotor blade incorporating embedded piezoelectric fiber composite, interdigitated electrode blade twist actuators is described. The analysis consist of a linear torsion and flapwise bending model coupled with a nonlinear ONERA based unsteady aerodynamics model. A modified Galerkin procedure is performed upon the rotor blade partial differential equations of motion to develop a system of ordinary differential equations suitable for numerical integration. The twist actuation responses for three conceptual full-scale blade designs with realistic constraints on blade mass are numerically evaluated using the analysis. Numerical results indicate that useful amplitudes of nonresonant elastic twist, on the order of one to two degrees, are achievable under one-g hovering flight conditions for interdigitated electrode poling configurations. Twist actuation for the interdigitated electrode blades is also compared with the twist actuation of a conventionally poled piezoelectric fiber composite blade. Elastic twist produced using the interdigitated electrode actuators was found to be four to five times larger than that obtained with the conventionally poled actuators.
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Directory of Open Access Journals (Sweden)
Phuoc T Tran
Full Text Available KRAS mutant lung cancers are generally refractory to chemotherapy as well targeted agents. To date, the identification of drugs to therapeutically inhibit K-RAS have been unsuccessful, suggesting that other approaches are required. We demonstrate in both a novel transgenic mutant Kras lung cancer 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 the progression from benign adenomas to adenocarcinomas. Moreover, the suppression of Twist1 to physiological levels is sufficient to cause Kras mutant lung tumors to undergo senescence and lose their neoplastic features. Finally, we analyzed more than 500 human tumors to demonstrate that TWIST1 is frequently 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.
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Geometrically exact nonlinear analysis of pre-twisted composite rotor blades
Directory of Open Access Journals (Sweden)
Li'na SHANG
2018-02-01
Full Text Available Modeling of pre-twisted composite rotor blades is very complicated not only because of the geometric non-linearity, but also because of the cross-sectional warping and the transverse shear deformation caused by the anisotropic material properties. In this paper, the geometrically exact nonlinear modeling of a generalized Timoshenko beam with arbitrary cross-sectional shape, generally anisotropic material behavior and large deflections has been presented based on Hodges’ method. The concept of decomposition of rotation tensor was used to express the strain in the beam. The variational asymptotic method was used to determine the arbitrary warping of the beam cross section. The generalized Timoshenko strain energy was derived from the equilibrium equations and the second-order asymptotically correct strain energy. The geometrically exact nonlinear equations of motion were established by Hamilton’s principle. The established modeling was used for the static and dynamic analysis of pre-twisted composite rotor blades, and the analytical results were validated based on experimental data. The influences of the transverse shear deformation on the pre-twisted composite rotor blade were investigated. The results indicate that the influences of the transverse shear deformation on the static deformation and the natural frequencies of the pre-twisted composite rotor blade are related to the length to chord ratio of the blade. Keywords: Geometrically exact, Nonlinear, Pre-twisted composite blade, Transverse shear deformation, Variational asymptotic, Warping
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A twisted flux-tube model for solar prominences. I. General properties
International Nuclear Information System (INIS)
Priest, E.R.; Hood, A.W.; Anzer, U.
1989-01-01
It is proposed that a solar prominence consists of cool plasma supported in a large-scale curved and twisted magnetic flux tube. As long as the flux tube is untwisted, its curvature is concave toward the solar surface, and so it cannot support dense plasma against gravity. However, when it is twisted sufficiently, individual field lines may acquire a convex curvature near their summits and so provide support. Cool plasma then naturally tends to accumulate in such field line dips either by injection from below or by thermal condensation. As the tube is twisted up further or reconnection takes place below the prominence, one finds a transition from normal to inverse polarity. When the flux tube becomes too long or is twisted too much, it loses stability and its true magnetic geometry as an erupting prominence is revealed more clearly. 56 refs
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Enhancement of heat transfer using varying width twisted tape inserts
African Journals Online (AJOL)
user
enhancement of heat transfer with twisted tape inserts as compared to plain ... studies for heat transfer and pressure drop of laminar flow in horizontal tubes ... flow in rectangular and square plain ducts and ducts with twisted-tape inserts .... presence of the insert in the pipe causes resistance to flow and increases turbulence.
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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.
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Symmetry of intramolecular quantum dynamics
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.
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Gerbes over posets and twisted C*-dynamical systems
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...
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Factorising the 3D topologically twisted index
Cabo-Bizet, Alejandro
2017-04-01
We explore the path integration — upon the contour of hermitian (non-auxliary) field configurations — of topologically twisted N=2 Chern-Simons-matter theory (TTCSM) on {S}_2 times a segment. In this way, we obtain the formula for the 3D topologically twisted index, first as a convolution of TTCSM on {S}_2 times halves of {S}_1 , second as TTCSM on {S}_2 times {S}_1 — with a puncture, — and third as TTCSM on {S}_2× {S}_1 . In contradistinction to the first two cases, in the third case, the vector multiplet auxiliary field D is constrained to be anti-hermitian.
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Obstructions for twist star products
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.
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Optics of twisted nematic and supertwisted nematic liquid-crystal displays
Leenhouts, F.; Schadt, M.
1986-11-01
For the first time calculations of the off-state transmission of twisted nematic liquid-crystal displays (LCD's) are presented which exhibit twist angles greater than the conventional 90 °. The transmission has been calculated using a treatment introduced by Priestley. In addition, the CIE (Commission Internationale d'Eclairage) color coordinates were evaluated which, together with the brightness, determine the optical appearance of an LCD. The finite efficiency of the polarizers was taken into account. The results are compared with those obtained for conventional 90 ° twisted nematic LCD's. From the calculations follow the conditions required to obtain optimal contrast and steep electro-optical characteristics in 180 ° supertwisted LCD's designed for high information content applications.
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miR-151-3p Targets TWIST1 to Repress Migration of Human Breast Cancer Cells.
Directory of Open Access Journals (Sweden)
Ting-Chih Yeh
Full Text Available TWIST1 is a highly conserved basic helix-loop-helix transcription factor that contributes to cancer metastasis by promoting an epithelial-mesenchymal transition and repressing E-cadherin gene expression in breast cancer. In this study, we explored the potential role of miR-151 in TWIST1 expression and cancer properties in human breast cancer cells. We found that the human TWIST1 3'UTR contains a potential binging site for miR-151-3p at the putative target sequence 5'-CAGUCUAG-3'. Using a TWIST1-3'UTR luciferase reporter assay, we demonstrated that the target sequence within the TWIST1 3'UTR is required for miR-151-3p regulation of TWIST1 expression. Moreover, we found that ectopic expression of miR-151-3p by infection with adenoviruses expressing miR-151 significantly decreased TWIST1 expression, migration and invasion, but did not affect cell growth and tumorsphere formation of human breast cancer cells. In addition, overexpression of the protein coding region without the 3'UTR of TWIST1 reversed the repression of cell migration by miR-151-3p. Furthermore, knockdown of miR-151-3p increased TWIST1 expression, reduced E-cadherin expression, and enhanced cell migration. In conclusion, these results suggest that miR-151-3p directly regulates TWIST1 expression by targeting the TWIST1 3'UTR and thus repressing the migration and invasion of human breast cancer cells by enhancing E-cadherin expression. Our findings add to accumulating evidence that microRNAs are involved in breast cancer progression by modulating TWIST1 expression.
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Directory of Open Access Journals (Sweden)
K. SYED JAFAR
2017-03-01
Full Text Available In this paper, the experimental heat transfer, friction loss and thermal performance data for water flowing through the absorber tube fitted with two different twisted tape configurations in parabolic trough collector (PTC are presented. In the present work, a relative experimental study is carried out to investigate the performance of a PTC influenced by heat transfer through fluidabsorber wall mixing mechanism. The major findings of this experiment show that heat transport enhancement in the nail twisted tape collector perform significantly better than plain twisted tapes and also show that the smallest twisted tape ratio enhances the system performance remarkably maximizing the collector efficiency. The results suggest that the twisted tape and nail twisted tape would be a better option for high thermal energy collection in laminar region of the PTC system.
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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)
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A New Twisting Somersault: 513XD
Tong, William; Dullin, Holger R.
2017-12-01
We present the mathematical framework of an athlete modelled as a system of coupled rigid bodies to simulate platform and springboard diving. Euler's equations of motion are generalised to non-rigid bodies and are then used to innovate a new dive sequence that in principle can be performed by real-world athletes. We begin by assuming that shape changes are instantaneous so that the equations of motion simplify enough to be solved analytically, and then use this insight to present a new dive (513XD) consisting of 1.5 somersaults and five twists using realistic shape changes. Finally, we demonstrate the phenomenon of converting pure somersaulting motion into pure twisting motion by using a sequence of impulsive shape changes, which may have applications in other fields such as space aeronautics.
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Hover Testing of the NASA/Army/MIT Active Twist Rotor Prototype Blade
Wilbur, Matthew L.; Yeager, William T., Jr.; Wilkie, W. Keats; Cesnik, Carlos E. S.; Shin, Sangloon
2000-01-01
Helicopter rotor individual blade control promises to provide a mechanism for increased rotor performance and reduced rotorcraft vibrations and noise. Active material methods, such as piezoelectrically actuated trailing-edge flaps and strain-induced rotor blade twisting, provide a means of accomplishing individual blade control without the need for hydraulic power in the rotating system. Recent studies have indicated that controlled strain induced blade twisting can be attained using piezoelectric active fiber composite technology. In order to validate these findings experimentally, a cooperative effort between NASA Langley Research Center, the Army Research Laboratory, and the MIT Active Materials and Structures Laboratory has been developed. As a result of this collaboration an aeroelastically-scaled active-twist model rotor blade has been designed and fabricated for testing in the heavy gas environment of the Langley Transonic Dynamics Tunnel (TDT). The results of hover tests of the active-twist prototype blade are presented in this paper. Comparisons with applicable analytical predictions of active-twist frequency response in hovering flight are also presented.
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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)
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Anomalous phase shift in a twisted quantum loop
International Nuclear Information System (INIS)
Taira, Hisao; Shima, Hiroyuki
2010-01-01
The coherent motion of electrons in a twisted quantum ring is considered to explore the effect of torsion inherent to the ring. Internal torsion of the ring composed of helical atomic configuration yields a non-trivial quantum phase shift in the electrons' eigenstates. This torsion-induced phase shift causes novel kinds of persistent current flow and an Aharonov-Bohm-like conductance oscillation. The two phenomena can occur even when no magnetic flux penetrates inside the twisted ring, thus being in complete contrast with the counterparts observed in untwisted rings.
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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...
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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
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Demonstration of an elastically coupled twist control concept for tilt rotor blade application
Lake, R. C.; Nixon, M. W.; Wilbur, M. L.; Singleton, J. D.; Mirick, P. H.
1994-01-01
The purpose of this Note is to present results from an analytic/experimental study that investigated the potential for passively changing blade twist through the use of extension-twist coupling. A set of composite model rotor blades was manufactured from existing blade molds for a low-twist metal helicopter rotor blade, with a view toward establishing a preliminary proof concept for extension-twist-coupled rotor blades. Data were obtained in hover for both a ballasted and unballasted blade configuration in sea-level atmospheric conditions. Test data were compared with results obtained from a geometrically nonlinear analysis of a detailed finite element model of the rotor blade developed in MSC/NASTRAN.
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Particle image velocimetry measurements of 2-dimensional velocity field around twisted tape
Energy Technology Data Exchange (ETDEWEB)
Song, Min Seop; Park, So Hyun; Kim, Eung Soo, E-mail: kes7741@snu.ac.kr
2016-11-01
Highlights: • Measurements of the flow field in a pipe with twisted tape were conducted by particle image velocimetry (PIV). • A novel matching index of refraction technique utilizing 3D printing and oil mixture was adopted to make the test section transparent. • Undistorted particle images were clearly captured in the presence of twisted tape. • 2D flow field in the pipe with twisted tape revealed the characteristic two-peak velocity profile. - Abstract: Twisted tape is a passive component used to enhance heat exchange in various devices. It induces swirl flow that increases the mixing of fluid. Thus, ITER selected the twisted tape as one of the candidates for turbulence promoting in the divertor cooling. Previous study was mainly focused on the thermohydraulic performance of the twisted tape. As detailed data on the velocity field around the twisted tape was insufficient, flow visualization study was performed to provide fundamental data on velocity field. To visualize the flow in a complex structure, novel matching index of refraction technique was used with 3-D printing and mixture of anise and mineral oil. This technique enables the camera to capture undistorted particle image for velocity field measurement. Velocity fields at Reynolds number 1370–9591 for 3 different measurement plane were obtained through particle image velocimetry. The 2-dimensional averaged velocity field data were obtained from 177 pair of instantaneous velocity fields. It reveals the characteristic two-peak flow motion in axial direction. In addition, the normalized velocity profiles were converged with increase of Reynolds numbers. Finally, the uncertainty of the result data was analyzed.
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Li, Kai; Feng, Qi; Niu, Guangle; Zhang, Weijie; Li, Yuanyuan; Kang, Miaomiao; Xu, Kui; He, Juan; Hou, Hongwei; Tang, Ben Zhong
2018-04-23
In this work, a benzothiazole-based aggregation-induced emission luminogen (AIEgen) of 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole (3) was designed and synthesized, which exhibited multifluorescence emissions in different dispersed or aggregated states based on tunable excited-state intramolecular proton transfer (ESIPT) and restricted intramolecular rotation (RIR) processes. 3 was successfully used as a ratiometric fluorescent chemosensor for the detection of pH, which exhibited reversible acid/base-switched yellow/cyan emission transition. More importantly, the pH jump of 3 was very precipitous from 7.0 to 8.0 with a midpoint of 7.5, which was well matched with the physiological pH. This feature makes 3 very suitable for the highly sensitive detection of pH fluctuation in biosamples and neutral water samples. 3 was also successfully used as a ratiometric fluorescence chemosensor for the detection of acidic and basic organic vapors in test papers.
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Thathia, Shabnam H.; Ferguson, Stuart; Gautrey, Hannah E.; van Otterdijk, Sanne D.; Hili, Michela; Rand, Vikki; Moorman, Anthony V.; Meyer, Stefan; Brown, Robert; Strathdee, Gordon
2012-01-01
Background Altered regulation of many transcription factors has been shown to be important in the development of leukemia. TWIST2 modulates the activity of a number of important transcription factors and is known to be a regulator of hematopoietic differentiation. Here, we investigated the significance of epigenetic regulation of TWIST2 in the control of cell growth and survival and in response to cytotoxic agents in acute lymphoblastic leukemia. Design and Methods TWIST2 promoter methylation status was assessed quantitatively, by combined bisulfite and restriction analysis (COBRA) and pyrosequencing assays, in multiple types of leukemia and TWIST2 expression was determined by quantitative reverse transcriptase polymerase chain reaction analysis. The functional role of TWIST2 in cell proliferation, survival and response to chemotherapy was assessed in transient and stable expression systems. Results We found that TWIST2 was inactivated in more than 50% of cases of childhood and adult acute lymphoblastic leukemia through promoter hypermethylation and that this epigenetic regulation was especially prevalent in RUNX1-ETV6-driven cases. Re-expression of TWIST2 in cell lines resulted in a dramatic reduction in cell growth and induction of apoptosis in the Reh cell line. Furthermore, re-expression of TWIST2 resulted in increased sensitivity to the chemotherapeutic agents etoposide, daunorubicin and dexamethasone and TWIST2 hypermethylation was almost invariably found in relapsed adult acute lymphoblastic leukemia (91% of samples hypermethylated). Conclusions This study suggests a dual role for epigenetic inactivation of TWIST2 in acute lymphoblastic leukemia, initially through altering cell growth and survival properties and subsequently by increasing resistance to chemotherapy. PMID:22058208
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Modal Properties and Stability of Bend-Twist Coupled Wind Turbine Blades
DEFF Research Database (Denmark)
Stäblein, Alexander R.; Hansen, Morten Hartvig; Verelst, David Robert
2017-01-01
a steady-state equilibrium using the aero-servo-elastic tool HAWCStab2 which has been extended by a beam element that allows for fully coupled cross-sectional properties. Bend-twist coupling is introduced in the cross-sectional stiffness matrix by means of coupling coefficients that introduce twist...
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Study of Implosion of Twisted Nested Arrays at the Angara-5-1 Facility
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.
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Realizations of κ-Minkowski space, Drinfeld twists, and related symmetry algebras
Energy Technology Data Exchange (ETDEWEB)
Juric, Tajron; Meljanac, Stjepan; Pikutic, Danijel [Ruder Boskovic Institute, Theoretical Physics Division, Zagreb (Croatia)
2015-11-15
Realizations of κ-Minkowski space linear in momenta are studied for time-, space- and light-like deformations. We construct and classify all such linear realizations and express them in terms of the gl(n) generators. There are three one-parameter families of linear realizations for timelike and space-like deformations, while for light-like deformations, there are only four linear realizations. The relation between a deformed Heisenberg algebra, the star product, the coproduct of momenta, and the twist operator is presented. It is proved that for each linear realization there exists a Drinfeld twist satisfying normalization and cocycle conditions. κ-Deformed igl(n)-Hopf algebras are presented for all cases. The κ-Poincare-Weyl and κ-Poincare-Hopf algebras are discussed. The left-right dual κ-Minkowski algebra is constructed from the transposed twists. The corresponding realizations are nonlinear. All Drinfeld twists related to κ-Minkowski space are obtained from our construction. Finally, some physical applications are discussed. (orig.)
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Realizations of κ-Minkowski space, Drinfeld twists, and related symmetry algebras
International Nuclear Information System (INIS)
Juric, Tajron; Meljanac, Stjepan; Pikutic, Danijel
2015-01-01
Realizations of κ-Minkowski space linear in momenta are studied for time-, space- and light-like deformations. We construct and classify all such linear realizations and express them in terms of the gl(n) generators. There are three one-parameter families of linear realizations for timelike and space-like deformations, while for light-like deformations, there are only four linear realizations. The relation between a deformed Heisenberg algebra, the star product, the coproduct of momenta, and the twist operator is presented. It is proved that for each linear realization there exists a Drinfeld twist satisfying normalization and cocycle conditions. κ-Deformed igl(n)-Hopf algebras are presented for all cases. The κ-Poincare-Weyl and κ-Poincare-Hopf algebras are discussed. The left-right dual κ-Minkowski algebra is constructed from the transposed twists. The corresponding realizations are nonlinear. All Drinfeld twists related to κ-Minkowski space are obtained from our construction. Finally, some physical applications are discussed. (orig.)
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Preparation of CN /Carbon Nanotube Intramolecular Junctions by ...
African Journals Online (AJOL)
NICO
intramolecular junctions composed of CNx with a bamboo-like structure and empty hollow carbon nanotubes were observed, ... and excellent thermal and mechanical properties.1,2 In recent .... tion of hexane, and the other segment with a curved compart- ... by an arrow lies at the interface of the junction between 'b' and.
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Automatic O(a) improvement for twisted mass QCD in the presence of spontaneous symmetry breaking
International Nuclear Information System (INIS)
Aoki, Sinya; Baer, Oliver
2006-01-01
In this paper we present a proof for automatic O(a) improvement in twisted mass lattice QCD at maximal twist, which uses only the symmetries of the leading part in the Symanzik effective action. In the process of the proof we clarify that the twist angle is dynamically determined by vacuum expectation values in the Symanzik theory. For maximal twist according to this definition, we show that scaling violations of all quantities which have nonzero values in the continuum limit are even in a. In addition, using Wilson chiral perturbation theory, we investigate this definition for maximal twist and compare it to other definitions which were already employed in actual simulations
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Regulation of interleukin-4 signaling by extracellular reduction of intramolecular disulfides
International Nuclear Information System (INIS)
Curbo, Sophie; Gaudin, Raphael; Carlsten, Mattias; Malmberg, Karl-Johan; Troye-Blomberg, Marita; Ahlborg, Niklas; Karlsson, Anna; Johansson, Magnus; Lundberg, Mathias
2009-01-01
Interleukin-4 (IL-4) contains three structurally important intramolecular disulfides that are required for the bioactivity of the cytokine. We show that the cell surface of HeLa cells and endotoxin-activated monocytes can reduce IL-4 intramolecular disulfides in the extracellular space and inhibit binding of IL-4 to the IL-4Rα receptor. IL-4 disulfides were in vitro reduced by thioredoxin 1 (Trx1) and protein disulfide isomerase (PDI). Reduction of IL-4 disulfides by the cell surface of HeLa cells was inhibited by auranofin, an inhibitor of thioredoxin reductase that is an electron donor to both Trx1 and PDI. Both Trx1 and PDI have been shown to be located at the cell surface and our data suggests that these enzymes are involved in catalyzing reduction of IL-4 disulfides. The pro-drug N-acetylcysteine (NAC) that promotes T-helper type 1 responses was also shown to mediate the reduction of IL-4 disulfides. Our data provides evidence for a novel redox dependent pathway for regulation of cytokine activity by extracellular reduction of intramolecular disulfides at the cell surface by members of the thioredoxin enzyme family.
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Intramolecular BSSE and dispersion affect the structure of a dipeptide conformer
Hameed, Rabia; Khan, Afsar; van Mourik, Tanja
2018-05-01
B3LYP and MP2 calculations with the commonly-used 6-31+G(d) basis set predict qualitatively different structures for the Tyr-Gly conformer book1, which is the most stable conformer identified in a previous study. The structures differ mainly in the ψtyr Ramachandran angle (138° in the B3LYP structure and 120° in the MP2 structure). The causes for the discrepant structures are attributed to missing dispersion in the B3LYP calculations and large intramolecular BSSE in the MP2 calculations. The correct ψtyr value is estimated to be 130°. The MP2/6-31+G(d) profile identified an additional conformer, not present on the B3LYP surface, with a ψtyr value of 96° and a more folded structure. This minimum is, however, likely an artefact of large intramolecular BSSE values. We recommend the use of basis sets of at least quadruple-zeta quality in density functional theory (DFT), DFTaugmented with an empirical dispersion term (DFT-D) and second-order Møller-Plesset perturbation theory (MP2 ) calculations in cases where intramolecular BSSE is expected to be large.
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The $SU(\\infty)$ twisted gradient flow running coupling
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...
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Twist effects in quantum vortices and phase defects
Zuccher, Simone; Ricca, Renzo L.
2018-02-01
In this paper we show that twist, defined in terms of rotation of the phase associated with quantum vortices and other physical defects effectively deprived of internal structure, is a property that has observable effects in terms of induced axial flow. For this we consider quantum vortices governed by the Gross-Pitaevskii equation (GPE) and perform a number of test cases to investigate and compare the effects of twist in two different contexts: (i) when this is artificially superimposed on an initially untwisted vortex ring; (ii) when it is naturally produced on the ring by the simultaneous presence of a central straight vortex. In the first case large amplitude perturbations quickly develop, generated by the unnatural setting of the initial condition that is not an analytical solution of the GPE. In the second case much milder perturbations emerge, signature of a genuine physical process. This scenario is confirmed by other test cases performed at higher twist values. Since the second setting corresponds to essential linking, these results provide new evidence of the influence of topology on physics.
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Factorising the 3D topologically twisted index
Energy Technology Data Exchange (ETDEWEB)
Cabo-Bizet, Alejandro [Instituto de Astronomía y Física del Espacio (CONICET-UBA),Ciudad Universitaria, C.P. 1428, Buenos Aires (Argentina)
2017-04-20
We explore the path integration — upon the contour of hermitian (non-auxliary) field configurations — of topologically twisted N=2 Chern-Simons-matter theory (TTCSM) on S{sub 2} times a segment. In this way, we obtain the formula for the 3D topologically twisted index, first as a convolution of TTCSM on S{sub 2} times halves of S{sub 1}, second as TTCSM on S{sub 2} times S{sub 1} — with a puncture, — and third as TTCSM on S{sub 2}×S{sub 1}. In contradistinction to the first two cases, in the third case, the vector multiplet auxiliary field D is constrained to be anti-hermitian.
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Leibniz algebroids, twistings and exceptional generalized geometry
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.
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Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π-π stacking.
Congrave, Daniel G; Hsu, Yu-Ting; Batsanov, Andrei S; Beeby, Andrew; Bryce, Martin R
2018-02-06
The potential of intramolecular π-π interactions to influence the photophysical properties of diiridium complexes is an unexplored topic, and provides the motivation for the present study. A series of diarylhydrazide-bridged diiridium complexes functionalised with phenylpyridine (ppy)-based cyclometalating ligands is reported. It is shown by NMR studies in solution and single crystal X-ray analysis that intramolecular π-π interactions between the bridging and cyclometalating ligands rigidify the complexes leading to high luminescence quantum efficiencies in solution and in doped films. Fluorine substituents on the phenyl rings of the bridge promote the intramolecular π-π interactions. Notably, these non-covalent interactions are harnessed in the rational design and synthesis of the first examples of highly emissive sky-blue diiridium complexes featuring conjugated bridging ligands, for which they play a vital role in the structural and photophysical properties. Experimental results are supported by computational studies.
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Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa
2017-05-05
An enantio- and stereoselective construction of the atisane scaffold via organocatalytic intramolecular Michael reaction and Diels-Alder reaction is described. The organocatalytic intramolecular Michael reaction has been found to stereoselectively generate a trans-stereodiad comprising an all-carbon quaternary and a tertiary stereogenic centers. Use of the chiral secondary amine bearing thiourea with benzoic acid as additive is the key to obtaining the desired product with excellent ee in synthetically acceptable yield. The prepared chiral building block has been successfully converted to the compound including the atisane scaffold via the highly stereoselective intramolecular Diels-Alder reaction.
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On the twists of interplanetary magnetic flux ropes observed at 1 AU
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,...
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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)
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Inner Surface Chirality of Single-Handed Twisted Carbonaceous Tubular Nanoribbons.
Liu, Dan; Li, Baozong; Guo, Yongmin; Li, Yi; Yang, Yonggang
2015-11-01
Single-handed twisted 4,4'-biphenylene-bridged polybissilsesquioxane tubular nanoribbons and single-layered nanoribbons were prepared by tuning the water/ethanol volume ratio in the reaction mixture at pH = 11.6 through a supramolecular templating approach. The single-layered nanoribbons were formed by shrinking tubular nanoribbons after the removal of the templates. In addition, solvent-induced handedness inversion was achieved. The handedness of the polybissilsesquioxanes could be controlled by changing the ethanol/water volume ratio in the reaction mixture. After carbonization at 900 °C for 4.0 h and removal of silica, single-handed twisted carbonaceous tubular nanoribbons and single-layered nanoribbons with micropores in the walls were obtained. X-ray diffraction and Raman spectroscopy analyses indicated that the carbon is predominantly amorphous. The circular dichroism spectra show that the twisted tubular nanoribbons exhibit optical activity, while the twisted single-layered nanoribbons do not. The results shown here indicate that chirality is transferred from the organic self-assemblies to the inner surfaces of the 4,4'-biphenylene-bridged polybissilsesquioxane tubular nanoribbons and subsequently to those of the carbonaceous tubular nanoribbons. © 2015 Wiley Periodicals, Inc.
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Osserman and conformally Osserman manifolds with warped and twisted product structure
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.
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An improved hazard rate twisting approach for the statistic of the sum of subexponential variates
Rached, Nadhir B.; Kammoun, Abla; Alouini, Mohamed-Slim; Tempone, Raul
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.
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Effect of Magnetic Twist on Nonlinear Transverse Kink Oscillations of Line-tied Magnetic Flux Tubes
Terradas, J.; Magyar, N.; Van Doorsselaere, T.
2018-01-01
Magnetic twist is thought to play an important role in many structures of the solar atmosphere. One of the effects of twist is to modify the properties of the eigenmodes of magnetic tubes. In the linear regime standing kink solutions are characterized by a change in polarization of the transverse displacement along the twisted tube. In the nonlinear regime, magnetic twist affects the development of shear instabilities that appear at the tube boundary when it is oscillating laterally. These Kelvin–Helmholtz instabilities (KHI) are produced either by the jump in the azimuthal component of the velocity at the edge of the sharp boundary between the internal and external part of the tube or by the continuous small length scales produced by phase mixing when there is a smooth inhomogeneous layer. In this work the effect of twist is consistently investigated by solving the time-dependent problem including the process of energy transfer to the inhomogeneous layer. It is found that twist always delays the appearance of the shear instability, but for tubes with thin inhomogeneous layers the effect is relatively small for moderate values of twist. On the contrary, for tubes with thick layers, the effect of twist is much stronger. This can have some important implications regarding observations of transverse kink modes and the KHI itself.
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Topological charge and chiral anomalies in Fermi superfluids
International Nuclear Information System (INIS)
Stone, M.; Gaitan, F.
1987-01-01
We review some of the topological properties of Fermi superfluids, in particular the persistent currents in superfluid 3 He. We show that the topological charge formalism developed by Garg et al. is related to the chiral anomaly viewpoint of Volovik and co-workers through the Callan--Harvey effect. We stress that the question of the existence of a ''twist'' term in the current induced by a texture is a history-dependent phenomenon which depends on how the textures are envisaged as being created. copyright 1987 Academic Press, Inc
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Fast Torsional Artificial Muscles from NiTi Twisted Yarns.
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.
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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
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Probing the interlayer coupling of twisted bilayer MoS2 using photoluminescence spectroscopy.
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.
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Intramolecular inverse electron demand Diels-Alder reactions of pyrimidines
Frissen, A.E.
1990-01-01
This thesis deals with the intramolecular inverse electron demand Diels-Alder reaction of pyrimidines. The main objective of the study was to investigate the synthetic applicability of this reaction and to get more insight in the electronic and steric effects which determine the reactivity
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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.
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International Nuclear Information System (INIS)
Hsu, C.-H.; Lin, S.-Y.
2009-01-01
The thermal stability and thermodynamics of gabapentin (GBP) in the solid state were investigated by DSC and TG techniques, and FTIR microspectroscopy. The detailed intramolecular lactamization process of GBP to form gabapentin-lactam (GBP-L) was also determined by thermal FTIR microspectroscopy. GBP exhibited a DSC endothermic peak at 169 deg. C. The weight loss in TG curve of GBP suggested that the evaporation process of water liberated via intramolecular lactamization was simultaneously combined with the evaporation process of GBP-L having a DSC endothermic peak at 91 deg. C. A thermal FTIR microspectroscopy clearly evidenced the IR spectra at 3350 cm -1 for water liberated and at 1701 cm -1 for lactam structure formed due to the lactam formation of GBP. This study indicates that the activation energy for combined processes of intramolecular lactamization of GBP and evaporation of GBP-L was about 114.3 ± 23.3 kJ/mol, but for the evaporation of GBP-L alone was 76.2 ± 1.5 kJ/mol. A powerful simultaneous DSC-FTIR combined technique was easily used to quickly examine the detailed kinetic processes of intramolecular cyclization of GPB and evaporation of GBP-L in the solid state
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Light hadrons from Nf=2+1+1 dynamical twisted mass fermions
Baron, R.; Blossier, B.; Boucaud, P.; Carbonell, J.; Deuzeman, A.; Drach, V.; Farchioni, F.; Gimenez, V.; Herdoiza, G.; Jansen, K.; Michael, C.; Montvay, I.; Pallante, E.; Pène, O.; Reker, S.; Urbach, C.; Wagner, M.; Wenger, U.; Collaboration, for the ETM
2011-01-01
We present results of lattice QCD simulations with mass-degenerate up and down and mass-split strange and charm (Nf=2+1+1) dynamical quarks using Wilson twisted mass fermions at maximal twist. The tuning of the strange and charm quark masses is performed at three values of the lattice spacing a~0.06
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On the Compton Twist-3 Asymmetries
International Nuclear Information System (INIS)
Korotkiyan, V.M.; Teryaev, O.V.
1994-01-01
The 'fermionic poles' contribution to the twist-3 single asymmetry in the gluon Compton process is calculated. The 'gluonic poles' existence seems to contradict the density matrix positivity. Qualitative predictions for the direct photon and jets asymmetries are presented. 13 refs., 2 figs
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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.
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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
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High performance twisted and coiled soft actuator with spandex fiber for artificial muscles
Yang, Sang Yul; Cho, Kyeong Ho; Kim, Youngeun; Song, Min-Geun; Jung, Ho Sang; Yoo, Ji Wang; Moon, Hyungpil; Koo, Ja Choon; Nam, Jae-do; Ryeol Choi, Hyouk
2017-10-01
This paper reports the twisted and coiled soft actuator (abbreviated with STCA) with spandex fiber. The STCA exhibits higher actuation strain at lower temperature than the previous nylon twisted and coiled soft actuators (abbreviated with NTCAs). While NTCAs are fabricated using a twist-insertion process until coils are formed, a new method is developed to fabricate the STCA using the ultra-stretch of spandex, whereby the STCA is twisted again after the coil has been formed. A 6-gear-twist-insertion device that increases the stability and the fabrication speed is developed to fabricate the STCA. The superior performance exhibited by the STCA is due to the 14% contraction strain of the bare spandex (bare nylon: 4%) and the low spring constant of 0.0115 N mm-1. The maximum tensile actuation strain of STCA was 45% at 130 °C, and the maximum specific work was 1.523 kJ kg-1 at 130 °C. STCA could repeatedly actuate 100 times with a strain change of less than 0.4%.
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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.
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International Nuclear Information System (INIS)
Bag, Saientan; Maingi, Vishal; Maiti, Prabal K.; Yelk, Joe; Glaser, Matthew A.; Clark, Noel A.; Walba, David M.
2015-01-01
Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column
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Vincentz, Joshua W.; Firulli, Beth A.; Lin, Andrea; Spicer, Douglas B.; Howard, Marthe J.; Firulli, Anthony B.
2013-01-01
Neural crest cells are multipotent progenitor cells that can generate both ectodermal cell types, such as neurons, and mesodermal cell types, such as smooth muscle. The mechanisms controlling this cell fate choice are not known. The basic Helix-loop-Helix (bHLH) transcription factor Twist1 is expressed throughout the migratory and post-migratory cardiac neural crest. Twist1 ablation or mutation of the Twist-box causes differentiation of ectopic neuronal cells, which molecularly resemble sympathetic ganglia, in the cardiac outflow tract. Twist1 interacts with the pro-neural factor Sox10 via its Twist-box domain and binds to the Phox2b promoter to repress transcriptional activity. Mesodermal cardiac neural crest trans-differentiation into ectodermal sympathetic ganglia-like neurons is dependent upon Phox2b function. Ectopic Twist1 expression in neural crest precursors disrupts sympathetic neurogenesis. These data demonstrate that Twist1 functions in post-migratory neural crest cells to repress pro-neural factors and thereby regulate cell fate determination between ectodermal and mesodermal lineages. PMID:23555309
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Ren, Biye; Gao, Feng; Tong, Zhen; Yan, Yu
1999-06-01
A copolymerizable fluorescent monomer N-[2-[[[5-(N,N-dimethylamino)-1-naphthalenyl]sulfonyl]-amino]ethyl]-2-propenamide (DANSAEP) was synthesized, which exhibits dual fluorescence due to the twisted intramolecular charge transfer in the excited state. The emission maximum λem shifts from 463.3 nm in n-hexane to 530.0 nm in water, showing solvent polarity dependence. The relations between λem and the conventional solvent polarity parameters ET(30) or Z are linear, dividing solvents into protic and aprotic groups. Kamlet's linear solvation energy relationship gives a good description for λem as a solvent polarity scale. The increment of dipole moment Δ μ at the excited state was estimated as 5.09 D with the solvatochromic analysis.
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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
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Fiber-Optic Sensors for Measurements of Torsion, Twist and Rotation: A Review.
Budinski, Vedran; Donlagic, Denis
2017-02-23
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.Invited Paper.
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OH stretching frequencies in systems with intramolecular hydrogen bonds
DEFF Research Database (Denmark)
Spanget-Larsen, Jens; Hansen, Bjarke Knud Vilster; Hansen, Poul Erik
2011-01-01
OH stretching wavenumbers were investigated for 30 species with intramolecularly hydrogen bonded hydroxyl groups, covering the range from 3600 to ca. 1900 cm-1. Theoretical wavenumbers were predicted with B3LYP/6-31G(d) density functional theory using the standard harmonic approximation, as well...
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Symmetry of quantum intramolecular dynamics
International Nuclear Information System (INIS)
Burenin, Alexander V
2002-01-01
The paper reviews the current progress in describing quantum intramolecular dynamics using merely symmetry principles as a basis. This closed qualitative approach is of particular interest because it is the only method currently available for a broad class of topical problems in the internal dynamics of molecules. Moreover, a molecule makes a physical system whose collective internal motions are geometrically structured, so that its description by perturbation methods requires a symmetry analysis of this structure. The nature of the geometrical symmetry groups crucial for the closed formulation of the qualitative approach is discussed. In particular, the point group of a molecule is of this type. (methodological notes)
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Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations
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.
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Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations
Vummaleti, Sai V. C.; Alghamdi, Miasser; Poater, Albert; Falivene, Laura; Scaranto, Jessica; Beetstra, Dirk J.; Morton, Jason G.; Cavallo, Luigi
2015-01-01
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.
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Stability of short wavelength tearing and twisting modes
International Nuclear Information System (INIS)
Waelbroeck, F.L.
1998-01-01
The stability and mutual interaction of tearing and twisting modes in a torus is governed by matrices that generalize the well-known Δ' stability index. The diagonal elements of these matrices determine the intrinsic stability of modes that reconnect the magnetic field at a single resonant surface. The off-diagonal elements indicate the strength of the coupling between the different modes. The author shows how the elements of these matrices can be evaluated, in the limit of short wavelength, from the free energy driving radially extended ballooning modes. The author applies the results by calculating the tearing and twisting Δ' for a model high-beta equilibrium with circular flux surfaces
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Fang, Zhongxue; Liu, Ying; Barry, Badru-Deen; Liao, Peiqiu; Bi, Xihe
2015-02-20
An atom-economic route to benzo[f]-1-indanone frameworks has been developed starting from the readily available gem-dialkylthio trienynes by intramolecular annulations. The chemoselectivity of the intramolecular cyclizations can be regulated by both the base and the type of gas atmosphere used in the reaction, thus allowing the divergent synthesis of the corresponding functionalized benzo[f]-1-indanones in good to excellent yields.
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Angeli, A; Peat, T S; Bartolucci, G; Nocentini, A; Supuran, C T; Carta, F
2016-12-28
A mild, efficient and one pot procedure to access benzoxazoles using easily accessible acylselenoureas as starting materials has been discovered. Mechanistic studies revealed a pH dependent intramolecular oxidative deselenization, with ring closure due to an intramolecular nucleophilic attack of a phenoxide ion. All the benzoxazoles herein reported possessed a primary sulfonamide zinc binding group and showed effective inhibitory action on the enzymes, carbonic anhydrases.
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Twist deformations leading to κ-Poincaré Hopf algebra and their application to physics
International Nuclear Information System (INIS)
Jurić, Tajron; Meljanac, Stjepan; Samsarov, Andjelo
2016-01-01
We consider two twist operators that lead to kappa-Poincaré Hopf algebra, the first being an Abelian one and the second corresponding to a light-like kappa-deformation of Poincaré algebra. The adventage of the second one is that it is expressed solely in terms of Poincaré generators. In contrast to this, the Abelian twist goes out of the boundaries of Poincaré algebra and runs into envelope of the general linear algebra. Some of the physical applications of these two different twist operators are considered. In particular, we use the Abelian twist to construct the statistics flip operator compatible with the action of deformed symmetry group. Furthermore, we use the light-like twist operator to define a star product and subsequently to formulate a free scalar field theory compatible with kappa-Poincaré Hopf algebra and appropriate for considering the interacting ϕ 4 scalar field model on kappa-deformed space. (paper)
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Modeling and development of a twisting wing using inductively heated shape memory alloy actuators
Saunders, Robert N.; Hartl, Darren J.; Boyd, James G.; Lagoudas, Dimitris C.
2015-04-01
Wing twisting has been shown to improve aircraft flight performance. The potential benefits of a twisting wing are often outweighed by the mass of the system required to twist the wing. Shape memory alloy (SMA) actuators repeatedly demonstrate abilities and properties that are ideal for aerospace actuation systems. Recent advances have shown an SMA torsional actuator that can be manufactured and trained with the ability to generate large twisting deformations under substantial loading. The primary disadvantage of implementing large SMA actuators has been their slow actuation time compared to conventional actuators. However, inductive heating of an SMA actuator allows it to generate a full actuation cycle in just seconds rather than minutes while still . The aim of this work is to demonstrate an experimental wing being twisted to approximately 10 degrees by using an inductively heated SMA torsional actuator. This study also considers a 3-D electromagnetic thermo-mechanical model of the SMA-wing system and compare these results to experiments to demonstrate modeling capabilities.
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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
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Note on twisted elliptic genus of K3 surface
International Nuclear Information System (INIS)
Eguchi, Tohru; Hikami, Kazuhiro
2011-01-01
We discuss the possibility of Mathieu group M 24 acting as symmetry group on the K3 elliptic genus as proposed recently by Ooguri, Tachikawa and one of the present authors. One way of testing this proposal is to derive the twisted elliptic genera for all conjugacy classes of M 24 so that we can determine the unique decomposition of expansion coefficients of K3 elliptic genus into irreducible representations of M 24 . In this Letter we obtain all the hitherto unknown twisted elliptic genera and find a strong evidence of Mathieu moonshine.
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Polarization-dependent diffraction in all-dielectric, twisted-band structures
Energy Technology Data Exchange (ETDEWEB)
Kardaś, Tomasz M.; Jagodnicka, Anna; Wasylczyk, Piotr, E-mail: pwasylcz@fuw.edu.pl [Photonic Nanostructure Facility, Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Pasteura 5, 02-093 Warszawa (Poland)
2015-11-23
We propose a concept for light polarization management: polarization-dependent diffraction in all-dielectric microstructures. Numerical simulations of light propagation show that with an appropriately configured array of twisted bands, such structures may exhibit zero birefringence and at the same time diffract two circular polarizations with different efficiencies. Non-birefringent structures as thin as 3 μm have a significant difference in diffraction efficiency for left- and right-hand circular polarizations. We identify the structural parameters of such twisted-band matrices for optimum performance as circular polarizers.
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Intramolecular Diels-Alder Reactions in Organic Synthesis
Sizemore, Nicholas Blandford Luke
2014-01-01
Intramolecular Diels-Alder (IMDA) reactions are an important class of reactions in synthetic organic chemistry for the rapid construction of polycyclic frameworks. Three classes of IMDA reactions were investigated synthetically and computationally: 1) all-carbon type 1 IMDA reactions, 2) N-acylnitroso type 2 IMDA reactions, and 3) cyano-azadiene IMDA reactions. The first class was implemented in research toward the total synthesis of maoecrystal Z and isopalhinine A. The second class was stud...
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Directory of Open Access Journals (Sweden)
Yongqin Yu
2014-12-01
Full Text Available A novel and simple sensor based on fiber-optic modal interferometer fabricated by a segment of low elliptical hollow-core photonic bandgap fiber for simultaneous temperature and twist measurements is demonstrated. Meanwhile the sensor can also measure the twist angle and determine the twist direction simultaneously. The mode distribution of EHC-PBGF is demonstrated both in theory and experiments. There is an obvious difference of two transmission dips on the temperature and twist. The twist sensitivities of Dip 1 and Dip 2 are obtained to be −31.95 and −585.8 pm/(rad/m, respectively. The temperature sensitivities are 12.99 pm/°C for Dip 1 and 5.09 pm/°C for Dip 2, respectively. Two parameters of twist and temperature can be distinguished and measured simultaneously by using a sensing matrix. Meanwhile the structure is found to be weakly sensitive to the axial strain. It has the advantage of avoiding the crosstalk of strain in the applications.
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Enantioselective synthesis of almorexant via iridium-catalysed intramolecular allylic amidation
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
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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.
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Charge and structural ordering in the brownmillerite phases: La1-xSrxMnO2.5 (0.2
International Nuclear Information System (INIS)
Casey, Peter S.; Barker, Daniel; Hayward, Michael A.
2006-01-01
The topotactic reduction of La 1-x Sr x MnO 3 (0.2 1-x Sr x MnO 2.5 brownmillerite phases with NaH is described. Neutron and electron diffraction data show the x=0.25 and 0.2 phases adopt structures with an unusual ordered L-R-L-R alternation of twisted chains of Mn(II) tetrahedra within each anion-deficient layer. This is accompanied by Mn(II)/(III) charge ordering within the remaining MnO 6 octahedral layers. In contrast, the x=0.4 phase adopts a structure in which the twisted chains of tetrahedra are disordered
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Controlling coupled bending-twisting vibrations of anisotropic composite wing
Ryabov, Victor; Yartsev, Boris
2018-05-01
The paper discusses the possibility to control coupled bending-twisting vibrations of anisotropic composite wing by means of the monoclinic structures in the reinforcement of the plating. Decomposing the potential straining energy and kinetic energy of natural vibration modes into interacting and non-interacting parts, it became possible to introduce the two coefficients that integrally consider the effect of geometry and reinforcement structure upon the dynamic response parameters of the wing. The first of these coefficients describes the elastic coupling of the natural vibration modes, the second coefficient describes the inertial one. The paper describes the numerical studies showing how the orientation of considerably anisotropic CRP layers in the plating affects natural frequencies, loss factors, coefficients of elastic and inertial coupling for several lower tones of natural bending-twisting vibrations of the wing. Besides, for each vibration mode, partial values of the above mentioned dynamic response parameters were determined by means of the relationships for orthotropic structures where instead of "free" shearing modulus in the reinforcement plant, "pure" shearing modulus is used. Joint analysis of the obtained results has shown that each pair of bending-twisting vibration modes has its orientation angle ranges of the reinforcing layers where the inertial coupling caused by asymmetry of the cross-section profile with respect to the main axes of inertia decreases, down to the complete extinction, due to the generation of the elastic coupling in the plating material. These ranges are characterized by the two main features: 1) the difference in the natural frequencies of the investigated pair of bending-twisting vibration modes is the minimum and 2) natural frequencies of bending-twisting vibrations belong to a stretch restricted by corresponding partial natural frequencies of the investigated pair of vibration modes. This result is of practical importance
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THE ROLE OF INTRAMOLECULAR TIES ENERGY IN THE PYROLYSIS PROCESS OF PET
Directory of Open Access Journals (Sweden)
P. Iu. Salikov
2014-01-01
Full Text Available Summary. Recycling plastic waste to focus on. The main type of used products made of polyethylene terephthalate (PET is a container from the various types of beverages. There was considered a possibility of waste of PET (bottles, bottles, packaging containers by pyrolysis. Most of the proposed methods are not suitable for recycling (recycling of waste consumption contamination. Purpose - to develop technological foundations and optimum modes waste PET to obtain useful secondary products, taking into account the energy of chemical intramolecular bonds. Applied scientific basis of recycling PET into useful forms of secondary products, in particular the establishment of the collapse of the intramolecular bonds, depending on the temperature of the pyrolysis method of mathematical processing - differentiation of polynomial equations change in the degree of pyrolysis temperature-dependent. The optimum modes of processing. The block diagram of apparatus for processing contaminated waste PET pyrolysis methods of control processing in accordance with the specified composition of secondary products. The possibility of controlling the amount and types of fuel components of secondary products due to measurable parameters of the pyrolysis process. The effective temperature pyrolysis of waste PET with the CCA-tures energy intramolecular bonds.
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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
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One-dimensional structures behind twisted and untwisted superYang-Mills theory
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.
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Twisted mass, overlap and Creutz fermions. Cut-off effects at tree-level of perturbation theory
International Nuclear Information System (INIS)
Cichy, K.; Kujawa, A.; Jansen, K.; Shindler, A.
2008-02-01
We study cutoff effects at tree-level of perturbation theory for maximally twisted mass Wilson, overlap and the recently proposed Creutz fermions. We demonstrate that all three kind of lattice fermions exhibit the expected O(a 2 ) scaling behaviour in the lattice spacing. In addition, the sizes of these cutoff effects are comparable for the three kinds of lattice fermions considered here. Furthermore, we analyze situations when twisted mass fermions are not exactly at maximal twist and when overlap fermions are studied in comparison to twisted mass fermions when the quark masses are not matched. (orig.)
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Photo-physics of third-order nonlinear optical processes in organic dyes
International Nuclear Information System (INIS)
Delysse, Stephane
1997-01-01
We study some aspects of the nonlinear picosecond photo-physics in organic dyes using Kerr ellipsometry. The aim is to establish link between the photo-physics and nonlinear optics in these compounds. First, we study coherent processes directly linked to the third-order susceptibility. Thus, we measure two-photon absorption spectra of large internal charge transfer dyes. We take into account all coupling between three electronic states which can interfere to explain the particular response of some stilbene dyes. On the second hand, we expose a more photophysical approach to determine the S 1 → S n transition energies and moments using the measurement of excited state absorption cross sections. These results allow the prediction of the susceptibilities relevant to alternative nonlinear optical methods. Nevertheless, the stationary approach hides the complex relaxation processes which can take place in organic dyes. As an illustration, we study the formation and disappearance of a TICT (Twisted intramolecular charge transfer) in a pyrylium salt in solvents of increasing viscosity. (author) [fr
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International Nuclear Information System (INIS)
Jouppila-Mättö, Anna; Närkiö-Mäkelä, Mervi; Soini, Ylermi; Pukkila, Matti; Sironen, Reijo; Tuhkanen, Hanna; Mannermaa, Arto; Kosma, Veli-Matti
2011-01-01
Epithelial-mesenchymal transition (EMT) is a crucial process in tumorigenesis since tumor cells attain fibroblast-like features enabling them to invade to surrounding tissue. Two transcription factors, TWIST and SNAI1, are fundamental in regulating EMT. Immunohistochemistry was used to study the expression of TWIST and SNAI1 in 109 pharyngeal squamous cell carcinomas. Tumors with intense stromal staining of TWIST relapsed more frequently (p = 0.04). Tumors with both positive TWIST and SNAI1 immunoreactivity in the stroma were at least Stage II (p = 0.05) and located more often in hypopharynx (p = 0.035). Tumors with negative immunostaining of TWIST and SNAI1 in the stromal compartment were smaller (T1-2) (p = 0.008), less advanced (SI-II) (p = 0.031) and located more often in the oropharynx (p = 0.007). Patients with negative SNAI1 and TWIST immunostaining in tumor stroma had a better 5-year disease-specific and overall survival (p = 0.037 and p = 0.014 respectively). TWIST and SNAI1 expression in stromal cells is associated with clinical and histopathological characteristics that indicate progressive disease. Negative expression of these EMT-promoting transcription factors predicts a better outcome
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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.
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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.
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Fiber-Optic Sensors for Measurements of Torsion, Twist and Rotation: A Review
Directory of Open Access Journals (Sweden)
Vedran Budinski
2017-02-01
Full Text Available 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.Invited Paper
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Design and analysis of variable-twist tiltrotor blades using shape memory alloy hybrid composites
International Nuclear Information System (INIS)
Park, Jae-Sang; Kim, Seong-Hwan; Jung, Sung Nam; Lee, Myeong-Kyu
2011-01-01
The tiltrotor blade, or proprotor, acts as a rotor in the helicopter mode and as a propeller in the airplane mode. For a better performance, the proprotor should have different built-in twist distributions along the blade span, suitable for each operational mode. This paper proposes a new variable-twist proprotor concept that can adjust the built-in twist distribution for given flight modes. For a variable-twist control, the present proprotor adopts shape memory alloy hybrid composites (SMAHC) containing shape memory alloy (SMA) wires embedded in the composite matrix. The proprotor of the Korea Aerospace Research Institute (KARI) Smart Unmanned Aerial Vehicle (SUAV), which is based on the tiltrotor concept, is used as a baseline proprotor model. The cross-sectional properties of the variable-twist proprotor are designed to maintain the cross-sectional properties of the original proprotor as closely as possible. However, the torsion stiffness is significantly reduced to accommodate the variable-twist control. A nonlinear flexible multibody dynamic analysis is employed to investigate the dynamic characteristics of the proprotor such as natural frequency and damping in the whirl flutter mode, the blade structural loads in a transition flight and the rotor performance in hover. The numerical results show that the present proprotor is designed to have a strong similarity to the baseline proprotor in dynamic and load characteristics. It is demonstrated that the present proprotor concept could be used to improve the hover performance adaptively when the variable-twist control using the SMAHC is applied appropriately
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Design and analysis of variable-twist tiltrotor blades using shape memory alloy hybrid composites
Park, Jae-Sang; Kim, Seong-Hwan; Jung, Sung Nam; Lee, Myeong-Kyu
2011-01-01
The tiltrotor blade, or proprotor, acts as a rotor in the helicopter mode and as a propeller in the airplane mode. For a better performance, the proprotor should have different built-in twist distributions along the blade span, suitable for each operational mode. This paper proposes a new variable-twist proprotor concept that can adjust the built-in twist distribution for given flight modes. For a variable-twist control, the present proprotor adopts shape memory alloy hybrid composites (SMAHC) containing shape memory alloy (SMA) wires embedded in the composite matrix. The proprotor of the Korea Aerospace Research Institute (KARI) Smart Unmanned Aerial Vehicle (SUAV), which is based on the tiltrotor concept, is used as a baseline proprotor model. The cross-sectional properties of the variable-twist proprotor are designed to maintain the cross-sectional properties of the original proprotor as closely as possible. However, the torsion stiffness is significantly reduced to accommodate the variable-twist control. A nonlinear flexible multibody dynamic analysis is employed to investigate the dynamic characteristics of the proprotor such as natural frequency and damping in the whirl flutter mode, the blade structural loads in a transition flight and the rotor performance in hover. The numerical results show that the present proprotor is designed to have a strong similarity to the baseline proprotor in dynamic and load characteristics. It is demonstrated that the present proprotor concept could be used to improve the hover performance adaptively when the variable-twist control using the SMAHC is applied appropriately.
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'Twisted tape sign': Its significance in recurrent sigmoid volvulus
International Nuclear Information System (INIS)
Gopal, K.; Lim, Y.; Banerjee, B.
2005-01-01
Aim: Sigmoid volvulus is a common cause of intestinal obstruction in the elderly. Mild attacks of sigmoid volvulus may be more difficult to diagnose due to the lack of severity of symptoms which may resolve spontaneously only to recur after an interval. This study was a review of patients to assess the incidence of the 'twisted tape sign' and to evaluate the significance of its presence in cases of recurrent sigmoid volvulus. Methods and materials: A retrospective study over eight years revealed six cases of surgically confirmed recurrent sigmoid volvulus. Case records and barium enemas of all patients were reviewed. Results: Six patients were identified, including four men and two women, with a median age of 56 years. Diagnostic difficulties were encountered in four (67%) patients with a delay ranging between 10 and 37 months with a mean 17.3 months. Twisted tape sign was confirmed on all barium examinations retrospectively. Conclusion: Recognition of twisted tape sign on barium enema examination along with an appropriate clinical history would suggest a diagnosis of recurrent sigmoid volvulus
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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.
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Calculations of higher twist distribution functions in the MIT bag model
International Nuclear Information System (INIS)
Signal, A.I.
1997-01-01
We calculate all twist-2, -3 and -4 parton distribution functions involving two quark correlations using the wave function of the MIT bag model. The distributions are evolved up to experimental scales and combined to give the various nucleon structure functions. Comparisons with recent experimental data on higher twist structure functions at moderate values of Q 2 give good agreement with the calculated structure functions. (orig.)
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One-dimensional structures behind twisted and untwisted super Yang-Mills theory
Energy Technology Data Exchange (ETDEWEB)
Baulieu, Laurent [CERN, Geneve (Switzerland). Theoretical Div.; Toppan, Francesco, E-mail: baulieu@lpthe.jussieu.f, E-mail: toppan@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)
2010-07-01
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)
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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)
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Overlap valence quarks on an twisted mass sea
Energy Technology Data Exchange (ETDEWEB)
Cichy, K. [Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Drach, V.; Garcia-Ramos, E.; Herdoiza, G.; Jansen, K. [DESY, Zeuthen (Germany). John von Neumann-Institut fuer Computing NIC
2010-12-15
We present the results of an investigation of a mixed action approach of overlap valence and maximally twisted mass sea quarks. Employing a particular matching condition on the pion mass, we analyze the continuum limit scaling of the pion decay constant and the role of chiral zero modes of the overlap operator in this process. We employ gauge field configurations generated by the European Twisted Mass Collaboration with linear lattice size L ranging from 1.3 to 1.9 fm. The continuum limit is taken at a fixed value of L=1.3 fm, employing three values of the lattice spacing and two values of the pion mass constructed from sea quarks only. (orig.)
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Twisted tachyon condensation in closed string field theory
International Nuclear Information System (INIS)
Okawa, Yuji; Zwiebach, Barton
2004-01-01
We consider twisted tachyons on C/Z N orbifolds of bosonic closed string theory. It has been conjectured that these tachyonic instabilities correspond to decays of the orbifolds into flat space or into orbifolds with smaller deficit angles. We examine this conjecture using closed string field theory, with the string field truncated to low-level tachyons. We compute the tachyon potentials for C/Z 2 and C/Z 3 orbifolds and find critical points at depths that generate about 70% of the expected change in the deficit angle. We find that both twisted fields and untwisted modes localized near the apex of the cone acquire vacuum expectation values and contribute to the potential. (author)
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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
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Charged current deep-inelastic scattering at three loops
International Nuclear Information System (INIS)
Moch, S.; Rogal, M.
2007-04-01
We derive for deep-inelastic neutrino(ν)-proton(P) scattering in the combination νP- anti νP the perturbative QCD corrections to three loops for the charged current structure functions F 2 , F L and F 3 . In leading twist approximation we calculate the first five odd-integer Mellin moments in the case of F 2 and F L and the first five even-integer moments in the case of F 3 . As a new result we obtain the coefficient functions to O(α 3 s ) while the corresponding anomalous dimensions agree with known results in the literature. (orig.)
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Li, An Yong
2007-04-21
Upon formation of a H bond Y...H-XZ, intramolecular hyperconjugation n(Z)-->sigma*(X-H) of the proton donor plays a key role in red- and blueshift characters of H bonds and must be introduced in the concepts of hyperconjugation and rehybridization. Intermolecular hyperconjugation transfers electron density from Y to sigma*(X-H) and causes elongation and stretch frequency redshift of the X-H bond; intramolecular hyperconjugation couples with intermolecular hyperconjugation and can adjust electron density in sigma*(X-H); rehybridization causes contraction and stretch frequency blueshift of the X-H bond on complexation. The three factors--intra- and intermolecular hyperconjugations and rehybridization--determine commonly red- or blueshift of the formed H bond. A proton donor that has strong intramolecular hyperconjugation often forms blueshifted H bonds.
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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)
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Higher-twist effects in the B → π transition form factor from QCD light-cone sum rules
Energy Technology Data Exchange (ETDEWEB)
Khodjamirian, Alexander; Rusov, Aleksey [Universitaet Siegen (Germany). Fakultaet IV, Department Physik, Theoretische Physik 1 Walter-Flex-Strasse 3 57068 Siegen
2016-07-01
I report on the progress in calculating new higher-twist corrections to the QCD light-cone sum rule for the B → π transition form factor. First, the expansion of the massive heavy-quark propagator in the external gluonic field near the light-cone was extended to include new terms containing the gluon-field strength derivatives. The resulting analytical expressions for the twist-5 and twist-6 contributions to the correlation function were obtained in a factorized approximation, expressed via the product of the quark-condensate density and the lower-twist pion distribution amplitudes. The numerical analysis of new higher-twist effects is in progress.
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Andelković, M.; Covaci, L.; Peeters, F. M.
2018-03-01
The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.
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Note on twisted elliptic genus of K3 surface
Energy Technology Data Exchange (ETDEWEB)
Eguchi, Tohru, E-mail: eguchi@yukawa.kyoto-u.ac.j [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Hikami, Kazuhiro, E-mail: KHikami@gmail.co [Department of Mathematics, Naruto University of Education, Tokushima 772-8502 (Japan)
2011-01-03
We discuss the possibility of Mathieu group M{sub 24} acting as symmetry group on the K3 elliptic genus as proposed recently by Ooguri, Tachikawa and one of the present authors. One way of testing this proposal is to derive the twisted elliptic genera for all conjugacy classes of M{sub 24} so that we can determine the unique decomposition of expansion coefficients of K3 elliptic genus into irreducible representations of M{sub 24}. In this Letter we obtain all the hitherto unknown twisted elliptic genera and find a strong evidence of Mathieu moonshine.
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Intramolecular electron transfer in ascorbate oxidase is enhanced in the presence of oxygen
DEFF Research Database (Denmark)
Farver, O; Wherland, S; Pecht, I
1994-01-01
Intramolecular electron transfer from the type 1 copper center to the type 3 copper(II) pair is induced in the multi-copper enzyme, ascorbate oxidase, following pulse radiolytic reduction of the type 1 Cu(II) ion. In the presence of a slight excess of dioxygen over ascorbate oxidase, interaction...... between the trinuclear copper center and O2 is observed even with singly reduced ascorbate oxidase molecules. Under these conditions, the rate constant for intramolecular electron transfer from type 1 Cu(I) to type 3 Cu(II) increases 5-fold to 1100 +/- 300 s-1 (20 degrees C, pH 5.8) as compared...
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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.)
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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.)
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Families of vector-like deformations of relativistic quantum phase spaces, twists and symmetries
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.
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Chiral tunneling in a twisted graphene bilayer.
He, Wen-Yu; Chu, Zhao-Dong; He, Lin
2013-08-09
The perfect transmission in a graphene monolayer and the perfect reflection in a Bernal graphene bilayer for electrons incident in the normal direction of a potential barrier are viewed as two incarnations of the Klein paradox. Here we show a new and unique incarnation of the Klein paradox. Owing to the different chiralities of the quasiparticles involved, the chiral fermions in a twisted graphene bilayer show an adjustable probability of chiral tunneling for normal incidence: they can be changed from perfect tunneling to partial or perfect reflection, or vice versa, by controlling either the height of the barrier or the incident energy. As well as addressing basic physics about how the chiral fermions with different chiralities tunnel through a barrier, our results provide a facile route to tune the electronic properties of the twisted graphene bilayer.
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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
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TiO2/water Nanofluid Heat Transfer in Heat Exchanger Equipped with Double Twisted-Tape Inserts
Eiamsa-ard, S.; Ketrain, R.; Chuwattanakul, V.
2018-05-01
Nowadays, heat transfer enhancement plays an important role in improving efficiency of heat transfer and thermal systems for numerous areas such as heat recovery processes, chemical reactors, air-conditioning/refrigeration system, food engineering, solar air/water heater, cooling of high power electronics etc. The present work presents the experimental results of the heat transfer enhancement of TiO2/water nanofluid in a heat exchanger tube fitted with double twisted tapes. The study covered twist ratios of twisted tapes (y/w) of 1.5, 2.0, and 2.5) while the concentration of the nanofluid was kept constant at 0.05% by volume. Observations show that heat transfer, friction loss and thermal performance increase as twist ratio (y/w) decreases. The use of the nanofluid in the tube equipped with the double twisted-tapes with the smallest twist ratio (y/w = 1.5) results in the increases of heat transfer rates and friction factor up to 224.8% and 8.98 times, respectively as compared to those of water. In addition, the experimental results performed that double twisted tapes induced dual swirling-flows which played an important role in improving fluid mixing and heat transfer enhancement. It is also observed that the TiO2/water nanofluid was responsible for low pressure loss behaviors.
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The final measurements of the muon decay parameters from the TWIST experiment
International Nuclear Information System (INIS)
Bayes, R
2013-01-01
The TWIST (TRIUMF Weak Interaction Symmetry Test) experiment probes the Lorentz structure of the weak interaction using muon decay. This structure has a very well defined form under the Standard Model (SM) which makes precise predictions for the shape of the decay positron spectrum with respect to momentum and angle. The shape of the spectrum may be described under some rather general assumptions using a set of decay parameters whose values according to the SM are ρ = δ = 3/4, η = 0, and ξ = 1. TWIST uses a large sample of muon decays in a large acceptance spectrometer to measure the decay parameters to an order of magnitude greater precision than previous measurements. This experiment saw its last year of data collection in 2007. As TWIST is a systematics dominated experiment, much effort has been spent on refinements of the estimates of the systematic uncertainties over previous TWIST results. These proceedings will discuss the measures taken to achieve the precision goal of parts in 10 4 , and the physics implications of the experiment.
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Synthesis and structural determination of twisted MoS2 nanotubes
International Nuclear Information System (INIS)
Santiago, P.; Schabes-Retchkiman, P.; Ascencio, J.A.; Mendoza, D.; Perez-Alvarez, M.; Espinosa, A.; Reza-SanGerman, C.; Camacho-Bragado, G.A.; Jose-Yacaman, M.
2004-01-01
In the present work we report the synthesis of MoS 2 nanotubes with diameters greater than 10 nm using a template method. The length and properties of these nanotubes are a direct result of the preparation method. High-resolution transmission electron microscopy is used to study the structure of these highly curved entities. Molecular dynamics simulations of MoS 2 nanotubes reveal that one of the stable forms of the nanotubes is a twisted one. The twisting of the nanotubes produces a characteristic contrast in the images, which is also studied using simulation methods. The analysis of the local contrast close to the perpendicular orientation shows geometrical arrays of dots in domain-like structures, which are demonstrated to be a product of the atomic overlapping of irregular curvatures in the nanotubes. The configuration of some of the experimentally obtained nanotubes is demonstrated to be twisted with a behavior suggesting partial plasticity. (orig.)
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Output Feedback Control of Electro-Hydraulic Cylinder Drives using the Twisting Algorithm
DEFF Research Database (Denmark)
Schmidt, Lasse; Andersen, Torben Ole; Pedersen, Henrik C.
2014-01-01
contributions in literature. This paper considers the twisting algorithm when applied directly for output feedback control, and with the design based on a reduced order model representation of an arbitrary valve driven hydraulic cylinder drive. The consequence of implementing such a controller with the well......This paper discusses the utilization of the so-called twisting algorithm when applied in output feedback position control schemes for electro-hydraulic cylinder drives. The twisting controller was the first second order sliding controller ever introduced, and can structure-wise be considered...... feedback controller may be successfully applied to hydraulic valve driven cylinder drives, with performance being on the level with a conventional surface based first order sliding mode controller....
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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 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....
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Tilting-Twisting-Rolling: a pen-based technique for compass geometric construction
Institute of Scientific and Technical Information of China (English)
Fei LYU; Feng TIAN; Guozhong DAI; Hongan WANG
2017-01-01
This paper presents a new pen-based technique,Tilting-Twisting-Rolling,to support compass geometric construction.By leveraging the 3D orientation information and 3D rotation information of a pen,this technique allows smooth pen action to complete multi-step geometric construction without switching task states.Results from a user study show this Tilting-Twisting-Rolling technique can improve user performance and user experience in compass geometric construction.
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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
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Fiber-Optic Sensors for Measurements of Torsion, Twist and Rotation: A Review †
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
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Bogoliubov coefficients for the twist operator in the D1D5 CFT
Directory of Open Access Journals (Sweden)
Zaq Carson
2014-12-01
Full Text Available The D1D5 CFT is a holographic dual of a near-extremal black hole in string theory. The interaction in this theory involves a twist operator which joins together different copies of a free CFT. Given a large number of D1 and D5 branes, the effective length of the circle on which the CFT lives is very large. We develop a technique to study the effect of the twist operator in the limit where the wavelengths of excitations are short compared to this effective length, which we call the ‘continuum limit’. The method uses Bogoliubov coefficients to compute the effect of the twist operator in this limit. For bosonic fields, we use the method to reproduce recent results describing the effect of the twist operator when it links together CFT copies with windings M and N, producing a copy of winding M+N. We also comment on possible generalizations of our results. The methods developed here may help in understanding the twist interaction at higher orders. This in turn should provide insight into the thermalization process in the D1D5 CFT, which gives a holographic description of black hole formation.
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International Nuclear Information System (INIS)
Shindler, A.
2007-07-01
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.)
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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.)
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Modeling higher twist contributions to deep inelastic scattering with diquarks
International Nuclear Information System (INIS)
Anselmino, M.
1994-01-01
The most recent detailed data on the unpolarized nucleon structure functions allow a precise determination of higher twist contributions. Quark-quark correlations induced by color forces are expected to be a natural explanation for such effects; indeed, a quark-diquark picture of the nucleon, previously introduced in the description of several exclusive processes at intermediate Q 2 values, is found to model the proton higher twist data with great accuracy. The resulting parameters are consistent with the diquark properties suggested by other experimental and theoretical analyses. (author)
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Williams, Peggy E; Marshall, David L; Poad, Berwyck L J; Narreddula, Venkateswara R; Kirk, Benjamin B; Trevitt, Adam J; Blanksby, Stephen J
2018-06-04
In the gas phase, arylperoxyl forming reactions play a significant role in low-temperature combustion and atmospheric processing of volatile organic compounds. We have previously demonstrated the application of charge-tagged phenyl radicals to explore the outcomes of these reactions using ion trap mass spectrometry. Here, we present a side-by-side comparison of rates and product distributions from the reaction of positively and negatively charge tagged phenyl radicals with dioxygen. The negatively charged distonic radical ions are found to react with significantly greater efficiency than their positively charged analogues. The product distributions of the anion reactions favor products of phenylperoxyl radical decomposition (e.g., phenoxyl radicals and cyclopentadienone), while the comparable fixed-charge cations yield the stabilized phenylperoxyl radical. Electronic structure calculations rationalize these differences as arising from the influence of the charged moiety on the energetics of rate-determining transition states and reaction intermediates within the phenylperoxyl reaction manifold and predict that this influence could extend to intra-molecular charge-radical separations of up to 14.5 Å. Experimental observations of reactions of the novel 4-(1-carboxylatoadamantyl)phenyl radical anion confirm that the influence of the charge on both rate and product distribution can be modulated by increasing the rigidly imposed separation between charge and radical sites. These findings provide a generalizable framework for predicting the influence of charged groups on polarizable radicals in gas phase distonic radical ions. Graphical Abstract.
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Directory of Open Access Journals (Sweden)
Rebecca Boll
2016-07-01
Full Text Available Ultrafast electron transfer in dissociating iodomethane and fluoromethane molecules was studied at the Linac Coherent Light Source free-electron laser using an ultraviolet-pump, X-ray-probe scheme. The results for both molecules are discussed with respect to the nature of their UV excitation and different chemical properties. Signatures of long-distance intramolecular charge transfer are observed for both species, and a quantitative analysis of its distance dependence in iodomethane is carried out for charge states up to I21+. The reconstructed critical distances for electron transfer are in good agreement with a classical over-the-barrier model and with an earlier experiment employing a near-infrared pump pulse.
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An empirically-based model for the lift coefficients of twisted airfoils with leading-edge tubercles
Ni, Zao; Su, Tsung-chow; Dhanak, Manhar
2018-04-01
Experimental data for untwisted airfoils are utilized to propose a model for predicting the lift coefficients of twisted airfoils with leading-edge tubercles. The effectiveness of the empirical model is verified through comparison with results of a corresponding computational fluid-dynamic (CFD) study. The CFD study is carried out for both twisted and untwisted airfoils with tubercles, the latter shown to compare well with available experimental data. Lift coefficients of twisted airfoils predicted from the proposed empirically-based model match well with the corresponding coefficients determined using the verified CFD study. Flow details obtained from the latter provide better insight into the underlying mechanism and behavior at stall of twisted airfoils with leading edge tubercles.
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A torsional artificial muscle from twisted nitinol microwire
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.
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Effect of Lowering Twist Levels on Quality Parameters of Rotor Spun Cotton Yarn
Directory of Open Access Journals (Sweden)
FAROOQ AHMED
2016-07-01
Full Text Available Investigations were made to explore the influence of lowering twist level on quality characteristics of rotor spun yarn. Three levels of yarn linear density (i.e. 40, 35 and 30 tex and five levels of twist (i.e. 700, 600, 550, 500, and 450 were employed during yarn spinning trials. Each twist multiple was investigated at all linear densities for tensile strength, elongation, total CVm (Coefficient of Mass Variation imperfection index and hairiness. 100% cotton yarn samples were prepared on Reiter R-40 at rotor speed of 90,000 rpm. Determination of elongation, yarn strength, hairiness, mass variation, and total imperfections index was carried out on Uster Tensorapid-4 and Uster Tester-4 as per set standards of ISO standard test methods. Based on investigations it is established that yarn strength and elongation declined minutely (Insignificant with lowering twist levels but still can be confidently used for knitting yarns. However, significant improvement in total imperfection index and marginal enhancement in CVm were experienced.
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Directory of Open Access Journals (Sweden)
Fang Fang
2018-05-01
Full Text Available In geometrically frustrated clusters of polyhedra, gaps between faces can be closed without distorting the polyhedra by the long established method of discrete curvature, which consists of curving the space into a fourth dimension, resulting in a dihedral angle at the joint between polyhedra in 4D. An alternative method—the twist method—has been recently suggested for a particular case, whereby the gaps are closed by twisting the cluster in 3D, resulting in an angular offset of the faces at the joint between adjacent polyhedral. In this paper, we show the general applicability of the twist method, for local clusters, and present the surprising result that both the required angle of the twist transformation and the consequent angle at the joint are the same, respectively, as the angle of bending to 4D in the discrete curvature and its resulting dihedral angle. The twist is therefore not only isomorphic, but isogonic (in terms of the rotation angles to discrete curvature. Our results apply to local clusters, but in the discussion we offer some justification for the conjecture that the isomorphism between twist and discrete curvature can be extended globally. Furthermore, we present examples for tetrahedral clusters with three-, four-, and fivefold symmetry.
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How the embryonic brain tube twists
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''.
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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.
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A novel stereoselective synthesis of N-heterocycles by intramolecular hydrovinylation
DEFF Research Database (Denmark)
Bothe, Ulrich; Rudbeck, H. C.; Tanner, David Ackland
2001-01-01
A novel method for the synthesis of bicyclic amines has been developed. Cyclisation of 1,6-dienes by intramolecular hydrovinylation in the presence of catalytic amounts of allylpalladium chloride dimer afforded bicyclic amines in one step. Added phosphines, silver salts, as well as the nature of ...
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Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
Energy Technology Data Exchange (ETDEWEB)
Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Gonthier, Jérôme F. [Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, School of Computational Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0400 (United States)
2015-12-14
We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already deliver a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.
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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...
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International Nuclear Information System (INIS)
Marguet, Sylvie
1992-01-01
This research thesis reports the study of a styrenic laser dye, the 4-(dicyanomethylene)-2-methyl-6-[p-(dimethylamino) styryl]-4H-pyrane or DCM for the characterization of the first electronic states and of the influence of the solvent on efficiencies of different relaxation processes of the first excited state S1 of the DCM. Due to the presence of a combination of a donor group and acceptor group, this compound has interesting properties of intra-molecular charge transfer and of photo-isomerization which highly depend on solvent polarity. Two approaches have been adopted to study these complementary processes: an experimental approach (determination of rate constants of the different deactivation ways of the S1 state by measuring fluorescence quantum efficiencies, photo-isomerization quantum efficiencies, and fluorescence lifetimes of DCM in about twenty solvent of increasing polarity), and a computational approach (a CS-INDO-MRI type quantum chemistry calculation to obtain potential energy curves, charge distributions, and dipolar moments of DCM first electronic states) [fr
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Modelling higher twist contributions to deep inelastic scattering with diquarks
International Nuclear Information System (INIS)
Anselmino, M.; Caruso, F.; Penna Firme, A.; Soares, J.; Mello Neto, J.R.T. de
1994-08-01
The most recent detailed data on the unpolarized nucleon structure functions allow a precise determination of higher twist contributions. Quark-quark correlations induced by colour forces are expected to be a natural explanation for such effects: indeed, a quark-diquark picture of the nucleon, previously introduced in the description of several exclusive processes at intermediate Q 2 values, is found to model the proton higher twist data with great accuracy. The resulting parameters are consistent with the diquark properties suggested by other experimental and theoretical analyses. (author). 15 refs, 5 figs
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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.
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The SU(∞) twisted gradient flow running coupling
Energy Technology Data Exchange (ETDEWEB)
Pérez, Margarita García [Instituto de Física Teórica UAM-CSIC,Nicolás Cabrera 13-15, E-28049-Madrid (Spain); González-Arroyo, Antonio [Instituto de Física Teórica UAM-CSIC,Nicolás Cabrera 13-15, E-28049-Madrid (Spain); Departamento de Física Teórica, C-15, Universidad Autónoma de Madrid,E-28049-Madrid (Spain); Keegan, Liam [PH-TH, CERN,CH-1211 Geneva 23 (Switzerland); Okawa, Masanori [Graduate School of Science, Hiroshima University,Higashi-Hiroshima, Hiroshima 739-8526 (Japan)
2015-01-09
We measure the running of the SU(∞) ’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 l-tilde=l√N, with l the torus period. We set the scale for the running coupling in terms of l-tilde and use the gradient flow to define a renormalized ’t Hooft coupling λ(l-tilde). 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 λ(l-tilde). The coupling constant is thus expected to coincide with that of the ordinary pure gauge theory at N=∞. The idea is shown to work and permits us to follow the evolution of the coupling over a wide range of scales. At weak coupling we find a remarkable agreement with the perturbative two-loop formula for the running coupling.
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Radiative capture of cold neutrons by protons and deuteron photodisintegration with twisted beams
Afanasev, Andrei; Serbo, Valeriy G.; Solyanik, Maria
2018-05-01
We consider two basic nuclear reactions: capture of neutrons by protons, n + p → γ + d, and its time-reversed counterpart, photodisintegration of the deuteron, γ + d → n + p. In both of these cases we assume that the incoming beam of neutrons or photons is ‘twisted’ by having an azimuthal phase dependence, i.e., it carries an additional angular momentum along its direction of propagation. Taking a low-energy limit of these reactions, we derive relations between corresponding transition amplitudes and cross sections with plane-wave beams and twisted beams. Implications for experiments with twisted cold neutrons and twisted photon beams are discussed.
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Directory of Open Access Journals (Sweden)
Anca Dana Dobrian
2012-08-01
Full Text Available The Twist proteins (Twist-1 and -2 are highly conserved developmental proteins with key roles for the transcriptional regulation in mesenchymal cell lineages. They belong to the super-family of bHLH proteins and exhibit bi-functional roles as both activators and repressors of gene transcription. The Twist proteins are expressed at low levels in adult tissues but may become abundantly re-expressed in cells undergoing malignant transformation. This observation prompted extensive research on the roles of Twist proteins in cancer progression and metastasis. Very recent studies indicate a novel role for Twist-1 as a potential regulator of adipose tissue remodeling and inflammation. Several studies suggested that developmental genes are important determinants of obesity, fat distribution and remodeling capacity of different adipose depots. Twist-1 is abundantly and selectively expressed in the adult adipose tissue and its constitutive expression is significantly higher in subcutaneous vs. visceral fat in both mice and humans. Moreover, Twist1 expression is strongly correlated with BMI and insulin resistance in humans. However, the functional roles and transcriptional downstream targets of Twist1 in adipose tissue are largely unexplored. The purpose of this review is to highlight the major findings related to Twist1 expression in different fat depots and cellular components of adipose tissue and to discuss the potential mechanisms suggesting a role for Twist1 in adipose tissue metabolism, inflammation and remodeling.
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Generalized Weyl modules for twisted current algebras
Makedonskyi, I. A.; Feigin, E. B.
2017-08-01
We introduce the notion of generalized Weyl modules for twisted current algebras. We study their representation-theoretic and combinatorial properties and also their connection with nonsymmetric Macdonald polynomials. As an application, we compute the dimension of the classical Weyl modules in the remaining unknown case.
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Adsorption of charged albumin subdomains on a graphite surface.
Raffaini, Giuseppina; Ganazzoli, Fabio
2006-03-01
We report some new molecular dynamics simulation results about the adsorption on a hydrophobic graphite surface of two albumin subdomains, each formed by three different alpha-helices, considering the correctly charged side groups at pH = 7 instead of the neutral ones as done in our previous exploratory paper (Raffaini and Ganazzoli, Langmuir 2003;19:3403-3412). We find that the presence of charges affects somewhat the initial adsorption stage on the electrostatically neutral surface, but not the final one. Thus, we recover the result that a monolayer of aminoacids is eventually formed, with a rough parallelism of distant strands to optimize both the intramolecular and the surface interactions. This feature is consistent with the adsorption on the hydrophobic surface being driven by dispersion forces only, and with the "soft" nature of albumin. Additional optimizations of the final monolayer carried out at pH = 3 and 11 do not modify appreciably this picture, suggesting that adsorption on graphite is basically independent of pH. The enhanced hydration of the final adsorption state due to the (delocalized) charges of the side groups is also discussed in comparison with similar results of the neutralized subdomains. (c) 2005 Wiley Periodicals, Inc.
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Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.
Eckstein, Brian J; Melkonyan, Ferdinand S; Manley, Eric F; Fabiano, Simone; Mouat, Aidan R; Chen, Lin X; Facchetti, Antonio; Marks, Tobin J
2017-10-18
We report a new naphthalene bis(4,8-diamino-1,5-dicarboxyl)amide (NBA) building block for polymeric semiconductors. Computational modeling suggests that regio-connectivity at the 2,6- or 3,7-NBA positions strongly modulates polymer backbone torsion and, therefore, intramolecular π-conjugation and aggregation. Optical, electrochemical, and X-ray diffraction characterization of 3,7- and 2,6-dithienyl-substituted NBA molecules and corresponding isomeric NBA-bithiophene copolymers P1 and P2, respectively, reveals the key role of regio-connectivity. Charge transport measurements demonstrate that while the twisted 3,7-NDA-based P1 is a poor semiconductor, the planar 2,6-functionalized NBA polymers (P2-P4) exhibit ambipolarity, with μ e and μ h of up to 0.39 and 0.32 cm 2 /(V·s), respectively.
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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.
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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.
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Directory of Open Access Journals (Sweden)
Ahmad Irfan
2016-11-01
Full Text Available Imidazolidin derivatives gained significant attention in our daily life from better biological activity to the semiconducting materials. The present investigation deals with the in depth study of (Z-2-sulfanylidene-5-(thiophen-2-ylmethylideneimidazolidin-4-one (STMI with respect to their structural, electronic, optical and charge transport properties as semiconducting material. The ground and first excited state geometries were optimized by applying density functional theory (DFT and time dependent DFT, respectively. The light has been shed on the frontier molecular orbitals (FMOs and observed comprehensible intramolecular charge transfer (ICT from the highest occupied molecular orbitals (HOMOs to the lowest unoccupied molecular orbitals (LUMOs. The absorption, emission, ionization potentials (IP, electron affinities (EA, total and partial densities of states and structure-property relationship have been discussed. Finally, hole as well as electron reorganization energies, transfer integrals and intrinsic mobilities have been calculated then charge transport behavior of STMI was discussed, intensively.
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Artificial blood-flow controlling effects of inhomogeneity of twisted magnetic fields
International Nuclear Information System (INIS)
Nakagawa, Hidenori; Ohuchi, Mikio
2017-01-01
We developed a blood-flow controlling system using magnetic therapy for some types of nervous diseases. In our research, we utilized overlapped extremely low frequency (ELF) fields for the most effective blood-flow for the system. Results showed the possibility that the inhomogeneous region obtained by overlapping the fields at 50 Hz, namely, a desirably twisted field revealed a significant difference in induced electromotive forces at the insertion points of electrodes. In addition, ELF exposures with a high inhomogeneity of the twisted field at 50 Hz out of phase were more effective in generating an induced electromotive difference by approximately 31%, as contrasted with the difference generated by the exposure in phase. We expect that the increase of the inhomogeneity of the twisted field around a blood vessel can produce the most effective electromotive difference in the blood, and also moderately affect the excitable cells relating to the autonomic nervous system for an outstanding blood-flow control in vivo. - Highlights: • The principal aim of this research is to contribute to the utilization of the twisted fields for the most effective blood-flow in vivo. • Two newly designed coil systems were used for producing a desirably twisted magnetic field under the measuring domain in the flow channel. • Further, we investigated the magnetohydrodynamic efficiencies of a prototype of a magnetic device, which was converted from use as a commercial alternating magnetic therapy apparatus. • The system was well-constructed with a successful application of a plural exposure coil; therefore, we were able to detect a maximum of induced electromotive force in a fluid of an artificial solution as a substitute for blood. • This new finding demonstrates that the process of blood massotherapy by magnetic stimuli is a therapy for many diseases.
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Artificial blood-flow controlling effects of inhomogeneity of twisted magnetic fields
Energy Technology Data Exchange (ETDEWEB)
Nakagawa, Hidenori, E-mail: hnakagawa-tdt@umin.ac.jp; Ohuchi, Mikio
2017-06-01
We developed a blood-flow controlling system using magnetic therapy for some types of nervous diseases. In our research, we utilized overlapped extremely low frequency (ELF) fields for the most effective blood-flow for the system. Results showed the possibility that the inhomogeneous region obtained by overlapping the fields at 50 Hz, namely, a desirably twisted field revealed a significant difference in induced electromotive forces at the insertion points of electrodes. In addition, ELF exposures with a high inhomogeneity of the twisted field at 50 Hz out of phase were more effective in generating an induced electromotive difference by approximately 31%, as contrasted with the difference generated by the exposure in phase. We expect that the increase of the inhomogeneity of the twisted field around a blood vessel can produce the most effective electromotive difference in the blood, and also moderately affect the excitable cells relating to the autonomic nervous system for an outstanding blood-flow control in vivo. - Highlights: • The principal aim of this research is to contribute to the utilization of the twisted fields for the most effective blood-flow in vivo. • Two newly designed coil systems were used for producing a desirably twisted magnetic field under the measuring domain in the flow channel. • Further, we investigated the magnetohydrodynamic efficiencies of a prototype of a magnetic device, which was converted from use as a commercial alternating magnetic therapy apparatus. • The system was well-constructed with a successful application of a plural exposure coil; therefore, we were able to detect a maximum of induced electromotive force in a fluid of an artificial solution as a substitute for blood. • This new finding demonstrates that the process of blood massotherapy by magnetic stimuli is a therapy for many diseases.
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Influence of pitch, twist, and taper on a blade`s performance loss due to roughness
Energy Technology Data Exchange (ETDEWEB)
Tangler, J.L. [National Renewable Energy Lab., Golden, CO (United States)
1996-12-31
The purpose of this study was to determine the influence of blade geometric parameters such as pitch, twist, and taper on a blade`s sensitivity to leading edge roughness. The approach began with an evaluation of available test data of performance degradation due to roughness effects for several rotors. In addition to airfoil geometry, this evaluation suggested that a rotor`s sensitivity to roughness was also influenced by the blade geometric parameters. Parametric studies were conducted using the PROP computer code with wind-tunnel airfoil characteristics for smooth and rough surface conditions to quantify the performance loss due to roughness for tapered and twisted blades relative to a constant-chord, non-twisted blade at several blade pitch angles. The results indicate that a constant-chord, non-twisted blade pitched toward stall will have the greatest losses due to roughness. The use of twist, taper, and positive blade pitch angles all help reduce the angle-of-attack distribution along the blade for a given wind speed and the associated performance degradation due to roughness. 8 refs., 6 figs.
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Influence of pitch, twist, and taper on a blade`s performance loss due to roughness
Energy Technology Data Exchange (ETDEWEB)
Tangler, J.L. [National Renewable Energy Laboratory, Golden, Colorado (United States)
1997-08-01
The purpose of this study was to determine the influence of blade geometric parameters such as pitch, twist, and taper on a blade`s sensitivity to leading edge roughness. The approach began with an evaluation of available test data of performance degradation due to roughness effects for several rotors. In addition to airfoil geometry, this evaluation suggested that a rotor`s sensitivity to roughness was also influenced by the blade geometric parameters. Parametric studies were conducted using the PROP computer code with wind-tunnel airfoil characteristics for smooth and rough surface conditions to quantify the performance loss due to roughness for tapered and twisted blades relative to a constant-chord, non-twisted blade at several blade pitch angles. The results indicate that a constant-chord, non-twisted blade pitched toward stall will have the greatest losses due to roughness. The use of twist, taper, and positive blade pitch angles all help reduce the angle-of-attack distribution along the blade for a given wind speed and the associated performance degradation due to roughness. (au)
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Potential applications of luminescent molecular rotors in food science and engineering.
Alhassawi, Fatemah M; Corradini, Maria G; Rogers, Michael A; Ludescher, Richard D
2017-06-29
Fluorescent molecular rotors (MRs) are compounds whose emission is modulated by segmental mobility; photoexcitation generates a locally excited (LE), planar state that can relax either by radiative decay (emission of a photon) or by formation of a twisted intramolecular charge transfer (TICT) state that can relax nonradiatively due to internal rotation. If the local environment around the probe allows for rapid internal rotation in the excited state, fast non-radiative decay can either effectively quench the fluorescence or generate a second, red-shifted emission band. Conversely, any environmental restriction to twisting in the excited state due to free volume, crowding or viscosity, slows rotational relaxation and promotes fluorescence emission from the LE state. The environmental sensitivity of MRs has been exploited extensively in biological applications to sense microviscosity in biofluids, the stability and physical state of biomembranes, and conformational changes in macromolecules. The application of MRs in food research, however, has been only marginally explored. In this review, we summarize the main characteristics of fluorescent MRs, their current applications in biological research and their current and potential applications as sensors of physical properties in food science and engineering.
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Solvent-Dependent Dual Fluorescence of the Push-Pull System 2-Diethylamino-7-Nitrofluorene
Larsen, Martin A. B.
2018-01-31
The solvent-dependent excited state behavior of the molecular push-pull system 2-diethylamino-7-nitrofluorene has been explored using femtosecond transient absorption spectroscopy in combination with density functional theory calculations. Several excited state minima have been identified computationally, all possessing significant intramolecular charge transfer character. The experimentally observed dual fluorescence is suggested to arise from a planar excited state minimum and another minimum reached by twisting of the aryl-nitrogen bond of the amino group. The majority of the excited state population, however, undergo non-radiative transitions and potential excited deactivation pathways are assessed in the computational investigation. A third excited state conformer, characterized by twisting around the aryl-nitrogen bond of the nitro group, is reasoned to be responsible for the majority of the non-radiative decays and a crossing between the excited state and ground state is localized. Additionally, ultrafast intersystem crossing is observed in the apolar solvent cyclohexane and rationalized to occur via an El-Sayed assisted transition from one of the identified excited state minima. The solvent thus determines more than just the fluorescence lifetime and shapes the potential energy landscape, thereby dictating the available excited state pathways.
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Solvent-Dependent Dual Fluorescence of the Push-Pull System 2-Diethylamino-7-Nitrofluorene
Larsen, Martin A. B.; Stephansen, Anne B.; Alarousu, Erkki; Pittelkow, Michael; Mohammed, Omar F.; Sø lling, Theis I
2018-01-01
The solvent-dependent excited state behavior of the molecular push-pull system 2-diethylamino-7-nitrofluorene has been explored using femtosecond transient absorption spectroscopy in combination with density functional theory calculations. Several excited state minima have been identified computationally, all possessing significant intramolecular charge transfer character. The experimentally observed dual fluorescence is suggested to arise from a planar excited state minimum and another minimum reached by twisting of the aryl-nitrogen bond of the amino group. The majority of the excited state population, however, undergo non-radiative transitions and potential excited deactivation pathways are assessed in the computational investigation. A third excited state conformer, characterized by twisting around the aryl-nitrogen bond of the nitro group, is reasoned to be responsible for the majority of the non-radiative decays and a crossing between the excited state and ground state is localized. Additionally, ultrafast intersystem crossing is observed in the apolar solvent cyclohexane and rationalized to occur via an El-Sayed assisted transition from one of the identified excited state minima. The solvent thus determines more than just the fluorescence lifetime and shapes the potential energy landscape, thereby dictating the available excited state pathways.
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Neutron electric dipole moment using N{sub f}=2+1+1 twisted mass fermions
Energy Technology Data Exchange (ETDEWEB)
Alexandrou, C.; Athenodorou, A.; Constantinou, M.; Hadjiyiannakou, K. [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus). Computation-based Science and Technology Research Center; Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Koutsou, G. [The Cyprus Institute, Nicosia (Cyprus). Computation-based Science and Technology Research Center; Ottnad, K. [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen- und Kernphysik; Bonn Univ. (Germany). Bethe Center for Theoretical Physics; Petschlies, M. [The Cyprus Institute, Nicosia (Cyprus). Computation-based Science and Technology Research Center; Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen- und Kernphysik; Bonn Univ. (Germany). Bethe Center for Theoretical Physics
2016-03-15
We evaluate the neutron electric dipole moment vertical stroke vector d{sub N} vertical stroke using lattice QCD techniques. The gauge configurations analyzed are produced by the European Twisted Mass Collaboration using N{sub f}=2+1+1 twisted mass fermions at one value of the lattice spacing of a ≅0.082 fm and a light quark mass corresponding to m{sub π}≅373 MeV. Our approach to extract the neutron electric dipole moment is based on the calculation of the CP-odd electromagnetic form factor F{sub 3}(Q{sup 2}) for small values of the vacuum angle θ in the limit of zero Euclidean momentum transfer Q{sup 2}. The limit Q{sup 2}→0 is realized either by adopting a parameterization of the momentum dependence of F{sub 3}(Q{sup 2}) and performing a fit, or by employing new position space methods, which involve the elimination of the kinematical momentum factor in front of F{sub 3}(Q{sup 2}). The computation in the presence of a CP-violating term requires the evaluation of the topological charge Q. This is computed by applying the cooling technique and the gradient flow with three different actions, namely the Wilson, the Symanzik tree-level improved and the Iwasaki action. We demonstrate that cooling and gradient flow give equivalent results for the neutron electric dipole moment. Our analysis yields a value of vertical stroke vector d{sub N} vertical stroke =0.045(6)(1) anti θ e.fm for the ensemble with m{sub π}=373 MeV considered.
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γγ → M{sup +}M{sup -}(M = π, K) processes with twist-3 corrections in QCD
Energy Technology Data Exchange (ETDEWEB)
Wang, Cong [Southwest University, School of Physical Science and Technology, Chongqing (China); Chinese Academy of Sciences, State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Beijing (China); Zhou, Ming-Zhen; Chen, Hong [Southwest University, School of Physical Science and Technology, Chongqing (China)
2017-04-15
We study the γγ → M{sup +}M{sup -}(M = π, K) processes with the contributions from the two-particle twist-2 and twist-3 distribution amplitudes of pion and kaon mesons on BHL prescription in the standard hard-scattering approach. The results show that the contributions from twist-3 parts are actually not power suppressed compared with the leading-twist contributions in the low energy region. The cross sections with twist-3 corrections agree well with the experimental data in the two-photon center-of-mass energy W > 2.8 GeV and we also predict the cross section ratio σ{sub 0}(K{sup +}K{sup -})/σ{sub 0}(π{sup +}π{sup -}), which is compatible with the experimental data from TPC and Belle. (orig.)
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4-Nitro-N-(8-quinolylbenzamide
Directory of Open Access Journals (Sweden)
Li Zhou
2008-12-01
Full Text Available In the title compound, C16H11N3O3, the amide group is twisted away from the plane of the quinoline benzene ring by 3.93 (5°, but is twisted away from the nitrobenzene ring by 22.68 (4°. A weak intramolecular C—H...O hydrogen bond is observed. In the crystal structure, molecules are linked into a chain along the a axis by intermolecular C—H...O hydrogen bonds.
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An estimate of higher twist at small xB and low Q2 based upon a saturation model
International Nuclear Information System (INIS)
Bartels, J.; Peters, K.
2000-03-01
We investigate the influence of higher twist corrections to deep inelastic structure functions in the low-Q 2 and small-x HERA region. We review the general features of the lowest-order QCD diagrams which contribute to twist-4 at small-x, in particular the sign structure of longitudinal and transverse structure functions which offers the possibility of strong cancellations in F 2 . For a numerical analysis we perform a twist analysis of the saturation model which has been very successful both in describing the structure function and the DIS diffractive cross section at HERA. As the main conclusion, twist 4 corrections are not small in F L or F T but in F 2 = F L + F T they almost cancel. We point out that F L analysis needs a large twist-4 correction. We also indicate the region of validity of the twist expansion. (orig.)
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Salman, Sami D; Kadhum, Abdul Amir H; Takriff, Mohd S; Mohamad, Abu Bakar
2013-01-01
Numerical investigation of the heat transfer and friction factor characteristics of a circular fitted with V-cut twisted tape (VCT) insert with twist ratio (y = 2.93) and different cut depths (w = 0.5, 1, and 1.5 cm) were studied for laminar flow using CFD package (FLUENT-6.3.26). The data obtained from plain tube were verified with the literature correlation to ensure the validation of simulation results. Classical twisted tape (CTT) with different twist ratios (y = 2.93, 3.91, 4.89) were also studied for comparison. The results show that the enhancement of heat transfer rate induced by the classical and V-cut twisted tape inserts increases with the Reynolds number and decreases with twist ratio. The results also revealed that the V-cut twisted tape with twist ratio y = 2.93 and cut depth w = 0.5 cm offered higher heat transfer rate with significant increases in friction factor than other tapes. In addition the results of V-cut twist tape compared with experimental and simulated data of right-left helical tape inserts (RLT), it is found that the V-cut twist tape offered better thermal contact between the surface and the fluid which ultimately leads to a high heat transfer coefficient. Consequently, 107% of maximum heat transfer was obtained by using this configuration.
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On combinatorial properties of elementary intramolecular operations
Directory of Open Access Journals (Sweden)
Vladimir Rogojin
2014-11-01
Full Text Available Here we tackle a problem from biology in terms of discrete mathematics. We are interested in a complex DNA manipulation process happening in eukaryotic organisms of a subclass of ciliate species called {\\it Stichotrichia} during so-called gene assembly. This process is in particular interesting since one can interpret gene assembly in ciliates as sorting of permutations. We survey here results related to studies on sorting permutations with some specific rewriting rules that formalize elementary intramolecular gene assembly operations. The research question is ``what permutation may be sorted with our operations?"
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RESONANT ABSORPTION OF AXISYMMETRIC MODES IN TWISTED MAGNETIC FLUX TUBES
Energy Technology Data Exchange (ETDEWEB)
Giagkiozis, I.; Verth, G. [Solar Plasma Physics Research Centre, School of Mathematics and Statistics, University of Sheffield, Hounsfield Road, Hicks Building, Sheffield, S3 7RH (United Kingdom); Goossens, M.; Doorsselaere, T. Van [Centre for mathematical Plasma Astrophysics, Mathematics Department, KU Leuven, Celestijnenlaan 200B bus 2400, B-3001 Leuven (Belgium); Fedun, V. [Department of Automatic Control and Systems Engineering, University of Sheffield, Mappin Street, Amy Johnson Building, Sheffield, S1 3JD (United Kingdom)
2016-06-01
It has been shown recently that magnetic twist and axisymmetric MHD modes are ubiquitous in the solar atmosphere, and therefore the study of resonant absorption for these modes has become a pressing issue because it can have important consequences for heating magnetic flux tubes in the solar atmosphere and the observed damping. In this investigation, for the first time, we calculate the damping rate for axisymmetric MHD waves in weakly twisted magnetic flux tubes. Our aim is to investigate the impact of resonant damping of these modes for solar atmospheric conditions. This analytical study is based on an idealized configuration of a straight magnetic flux tube with a weak magnetic twist inside as well as outside the tube. By implementing the conservation laws derived by Sakurai et al. and the analytic solutions for weakly twisted flux tubes obtained recently by Giagkiozis et al. we derive a dispersion relation for resonantly damped axisymmetric modes in the spectrum of the Alfvén continuum. We also obtain an insightful analytical expression for the damping rate in the long wavelength limit. Furthermore, it is shown that both the longitudinal magnetic field and the density, which are allowed to vary continuously in the inhomogeneous layer, have a significant impact on the damping time. Given the conditions in the solar atmosphere, resonantly damped axisymmetric modes are highly likely to be ubiquitous and play an important role in energy dissipation. We also suggest that, given the character of these waves, it is likely that they have already been observed in the guise of Alfvén waves.
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Directory of Open Access Journals (Sweden)
Qin Tian
2017-04-01
Full Text Available Objective: To study the correlation of Twist and YB-1 gene expression in cervical cancer and precancerous tissue with cell invasion. Methods: Cervical cancer tissue, precancerous tissue and normal cervical tissue surgically removed in our hospital between May 2013 and April 2015 were collected; immunohistochemical staining kits were used to detect the positive protein expression rate of Twist and YB-1 gene; fluorescence quantitative PCR kits were used to detect Twist, YB-1 and invasion gene mRNA expression. Results: Twist and YB-1 mRNA expression and positive protein expression rate as well as USP22, Rab11, Rac1 and ANXA5 mRNA expression in cervical cancer tissue and precancerous tissue were significantly higher than those in normal cervical tissue, Twist and YB-1 mRNA expression and positive protein expression rate as well as USP22, Rab11, Rac1 and ANXA5 mRNA expression in cervical cancer tissue were significantly higher than those in precancerous tissue; USP22, Rab11, Rac1 and ANXA5 mRNA expression in cervical cancer tissue and precancerous tissue with positive Twist and YB-1 expression were significantly higher than those in cervical cancer tissue and precancerous tissue with negative Twist and YB-1 expression. Conclusion: Highly expressed Twist and YB-1 in cervical cancer and precancerous tissue can promote cell invasion.
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Higher Mellin moments for charged current DIS
International Nuclear Information System (INIS)
Rogal, M.; Moch, S.
2007-06-01
We report on our recent results for deep-inelastic neutrino(ν)-proton(P) scattering. We have computed the perturbative QCD corrections to three loops for the charged current structure functions F 2 , F L and F 3 for the combination νP- anti νP. In leading twist approximation we have calculated the first six odd-integer Mellin moments in the case of F 2 and F L and the first six even-integer moments in the case of F 3 . As a new result we have obtained the coefficient functions to O(α 3 s ) and we have found the corresponding anomalous dimensions to agree with known results in the literature. (orig.)
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Electric currents induced by twisted light in Quantum Rings.
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.
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Topological charge using cooling and the gradient flow
International Nuclear Information System (INIS)
Alexandrou, C.; Athenodorou, A.; The Cyprus Institute, Nicosia; Jansen, K.
2015-12-01
The equivalence of cooling to the gradient flow when the cooling step n c and the continuous flow step of gradient flow τ are matched is generalized to gauge actions that include rectangular terms. By expanding the link variables up to subleading terms in perturbation theory, we relate n c and τ and show that the results for the topological charge become equivalent when rescaling τ ≅ n c /(3-15c 1 ) where c 1 is the Symanzik coefficient multiplying the rectangular term. We, subsequently, apply cooling and the gradient flow using the Wilson, the Symanzik tree-level improved and the Iwasaki gauge actions to configurations produced with N f = 2 + 1 + 1 twisted mass fermions. We compute the topological charge, its distribution and the correlators between cooling and gradient flow at three values of the lattice spacing demonstrating that the perturbative rescaling τ ≅ n c /(3-15c 1 ) leads to equivalent results.
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MAML1 and TWIST1 co-overexpression promote invasion of head and neck squamous cell carcinoma.
Ardalan Khales, Sima; Ebrahimi, Ehsan; Jahanzad, Eisa; Ardalan Khales, Sahar; Forghanifard, Mohammad Mahdi
2018-01-15
Head and neck squamous cell carcinoma (HNSCC) is the seventh most common cancer worldwide with considerable morbidity and mortality. Invasion and metastasis of HNSCC is a complex process involving multiple molecules and signaling pathways. Twist Family BHLH Transcription Factor 1 (TWIST1) and Mastermind-like 1 (MAML1) are essential in induction of epithelial-mesenchymal transition through direct regulation of implicated molecules in cellular adhesion, migration and invasion. Our aim in this study was to assess the clinical significance of MAML1 and TWIST1 expression in HNSCC, and elucidate the probable correlation between these genes to exhibit their possible associations with progression and metastasis of the disease. The gene expression profile of MAML1 and TWIST1 was assessed in fresh tumoral compared to distant tumor-free tissues of 55 HNSCC patients using quantitative real-time Polymerase chain reaction (PCR). Significant overexpression of MAML1 and TWIST1 mRNA was observed in 49.1% and 38.2% (P ˂ 0.05) of tumor specimens, respectively. Overexpression of MAML1 was associated with vascular invasion (P = 0.048). Concomitant overexpression of MAML1 and TWIST1 was significantly correlated to each other (P = 0.004). Co-overexpression of the genes was significantly correlated to the various clinicopathological indices of poor prognosis including depth of tumor invasion (P < 0.01), lymphatic invasion and grade of tumor cell differentiation (P < 0.05). Significant correlation between MAML1 and TWIST1 in HNSCC was revealed. This study was the first report elucidating MAML1 clinical relevance in HNSCC. These new findings suggest an oncogenic role for concomitant expression of MAML1 and TWIST1 genes in HNSCC invasion and metastasis. © 2018 John Wiley & Sons Australia, Ltd.
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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...
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Intramolecular Diels-Alder reactions of pyrimidines, a synthetic and computational study
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
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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 molecu...... comprehensive, reviews....
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Intramolecular excimer and exciplex emission of 1,4-dipyrenyl substituted cyclohexasilane
van Walree, C.A.; Kaats-Richters, V.E.M.; Jenneskens, L.W.; Williams, R.M.; van Stokkum, I.H.M.
2002-01-01
Intramolecular excimer emission is observed for cis-1,4-di(1-pyrenyl)decamethylcyclohexasilane in nonpolar solvents. Time-resolved fluorescence spectroscopy and kinetic modelling indicate that the driving force of excimer formation is very small, and that the process is governed by the flexibility
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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.
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Twist operator correlation functions in O(n) loop models
International Nuclear Information System (INIS)
Simmons, Jacob J H; Cardy, John
2009-01-01
Using conformal field theoretic methods we calculate correlation functions of geometric observables in the loop representation of the O(n) model at the critical point. We focus on correlation functions containing twist operators, combining these with anchored loops, boundaries with SLE processes and with double SLE processes. We focus further upon n = 0, representing self-avoiding loops, which corresponds to a logarithmic conformal field theory (LCFT) with c = 0. In this limit the twist operator plays the role of a 0-weight indicator operator, which we verify by comparison with known examples. Using the additional conditions imposed by the twist operator null states, we derive a new explicit result for the probabilities that an SLE 8/3 winds in various ways about two points in the upper half-plane, e.g. that the SLE passes to the left of both points. The collection of c = 0 logarithmic CFT operators that we use deriving the winding probabilities is novel, highlighting a potential incompatibility caused by the presence of two distinct logarithmic partners to the stress tensor within the theory. We argue that both partners do appear in the theory, one in the bulk and one on the boundary and that the incompatibility is resolved by restrictive bulk-boundary fusion rules
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Artificial blood-flow controlling effects of inhomogeneity of twisted magnetic fields
Nakagawa, Hidenori; Ohuchi, Mikio
2017-06-01
We developed a blood-flow controlling system using magnetic therapy for some types of nervous diseases. In our research, we utilized overlapped extremely low frequency (ELF) fields for the most effective blood-flow for the system. Results showed the possibility that the inhomogeneous region obtained by overlapping the fields at 50 Hz, namely, a desirably twisted field revealed a significant difference in induced electromotive forces at the insertion points of electrodes. In addition, ELF exposures with a high inhomogeneity of the twisted field at 50 Hz out of phase were more effective in generating an induced electromotive difference by approximately 31%, as contrasted with the difference generated by the exposure in phase. We expect that the increase of the inhomogeneity of the twisted field around a blood vessel can produce the most effective electromotive difference in the blood, and also moderately affect the excitable cells relating to the autonomic nervous system for an outstanding blood-flow control in vivo.
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Quark mass anomalous dimension 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
2013-12-15
We investigate whether it is possible to extract the quark mass anomalous dimension and its scale dependence from the spectrum of the twisted mass Dirac operator in Lattice QCD. The answer to this question appears to be positive, provided that one goes to large enough eigenvalues, sufficiently above the non-perturbative regime. The obtained results are compared to continuum perturbation theory. By analyzing possible sources of systematic effects, we find the domain of applicability of the approach, extending from an energy scale of around 1.5 to 4 GeV. The lower limit is dictated by physics (non-perturbative effects at low energies), while the upper bound is set by the ultraviolet cut-off of present-day lattice simulations. We use gauge field configuration ensembles generated by the European Twisted Mass Collaboration (ETMC) with 2 flavours of dynamical twisted mass quarks, at 4 lattice spacings in the range between around 0.04 and 0.08 fm.
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Quark mass anomalous dimension from the twisted mass Dirac operator spectrum
International Nuclear Information System (INIS)
Cichy, Krzysztof; Poznan Univ.
2013-12-01
We investigate whether it is possible to extract the quark mass anomalous dimension and its scale dependence from the spectrum of the twisted mass Dirac operator in Lattice QCD. The answer to this question appears to be positive, provided that one goes to large enough eigenvalues, sufficiently above the non-perturbative regime. The obtained results are compared to continuum perturbation theory. By analyzing possible sources of systematic effects, we find the domain of applicability of the approach, extending from an energy scale of around 1.5 to 4 GeV. The lower limit is dictated by physics (non-perturbative effects at low energies), while the upper bound is set by the ultraviolet cut-off of present-day lattice simulations. We use gauge field configuration ensembles generated by the European Twisted Mass Collaboration (ETMC) with 2 flavours of dynamical twisted mass quarks, at 4 lattice spacings in the range between around 0.04 and 0.08 fm.
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Directory of Open Access Journals (Sweden)
Sami D. Salman
2015-01-01
Full Text Available This paper presents a comparison study on thermal performance conic cut twist tape inserts in laminar flow of nanofluids through a constant heat fluxed tube. Three tape configurations, namely, quadrant cut twisted tape (QCT, parabolic half cut twisted tape (PCT, and triangular cut twisted (VCT of twist ratio y = 2.93 and cut depth de = 0.5 cm were used with 1% and 2% volume concentration of SiO2/water and TiO2/water nanofluids. Typical twist tape with twist ratio of y = 2.93 was used for comparison. The results show that the heat transfer was enhanced by increasing of Reynolds number and nanoparticles concentration of nanofluid. The results have also revealed that the use of twist tape enhanced the heat transfer coefficient significantly and maximum heat transfer enhancement was achieved by the presence of triangular cut twist tape insert with 2% volume concentration of SiO2 nanofluid. Over the range investigated, the maximum thermal performance factor of 5.13 is found with the simultaneous use of the SiO2 nanofluid at 2% volume concentration VCT at Reynolds number of 220. Furthermore, new empirical correlations for Nusselt number, friction factor, and thermal performance factor are developed and reported.
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Intramolecular photoinduced electron-transfer in azobenzene-perylene diimide
International Nuclear Information System (INIS)
Feng Wen-Ke; Wang Shu-Feng; Gong Qi-Huang; Feng Yi-Yu; Feng Wei; Yi Wen-Hui
2010-01-01
This paper studies the intramolecular photoinduced electron-transfer (PET) of covalent bonded azobenzene-perylene diimide (AZO-PDI) in solvents by using steady-state and time-resolved fluorescence spectroscopy together with ultrafast transient absorption spectroscopic techniques. Fast fluorescence quenching is observed when AZO-PDI is excited at characteristic wavelengths of AZO and perylene moieties. Reductive electron-transfer with transfer rate faster than 10 11 s −1 is found. This PET process is also consolidated by femtosecond transient absorption spectra
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Directory of Open Access Journals (Sweden)
Kumar Akarsh
2018-01-01
Full Text Available In the present study numerical analysis of enhancement in heat transfer characteristics in a double pipe heat exchanger is studied using a holed twisted tape.The twisted tape with a constant twist ratio is inserted in a double pipe heat exchanger. Holes of diameter 1mm, 3 mm and 5 mm were drilled at regular pitch throughout the length of the tape. Numerical modeling of a double pipe heat exchanger with the holed twisted tape was constructed considering hot fluid flowing in the inner pipe and cold fluid through the annulus.Simulation was done for varied mass flow rates of hot fluid in the turbulent condition keeping the mass flow rate of cold fluid being constant. Thermal properties like Outlet temperatures, Nusselt number, overall heat transfer coefficient, heat transfer rate and pressure drop were determined for all the cases. Results indicated that normaltwisted tape without holes performed better than the bare tube. In the tested range of mass flow rates the average Nusselt number and heat transfer rate were increased by 85% and 34% respectively. Performance of Twisted tape with holes was slightly reduced than the normal twisted tape and it deteriorated further for higher values hole diameter. Pressure drop was found to be higher for the holed twisted tape than the normal tape.
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A zero torsional stiffness twist morphing blade as a wind turbine load alleviation device
Lachenal, X.; Daynes, S.; Weaver, P. M.
2013-06-01
This paper presents the design, analysis and realization of a zero stiffness twist morphing wind turbine blade. The morphing blade is designed to actively twist as a means of alleviating the gust loads which reduce the fatigue life of wind turbine blades. The morphing structure exploits an elastic strain energy balance within the blade to enable large twisting deformations with modest actuation requirements. While twist is introduced using the warping of the blade skin, internal pre-stressed members ensure that a constant strain energy balance is achieved throughout the deformation, resulting in a zero torsional stiffness structure. The torsional stability of the morphing blade is characterized by analysing the elastic strain energy in the device. Analytical models of the skin, the pre-stressed components and the complete blade are compared to their respective finite element models as well as experimental results. The load alleviation potential of the adaptive structure is quantified using a two-dimensional steady flow aerodynamic model which is experimentally validated with wind tunnel measurements.
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Hooper, Joel F; James, Natalie C; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M; Holland, Mareike C; Gilmour, Ryan; Holmes, Andrew B; Houk, K N
2015-12-18
The intramolecular Diels-Alder reaction has been used as a powerful method to access the tricyclic core of the eunicellin natural products from a number of 9-membered-ring precursors. The endo/exo selectivity of this reaction can be controlled through a remarkable organocatalytic approach, employing MacMillan's imidazolidinone catalysts, although the mechanistic origin of this selectivity remains unclear. We present a combined experimental and density functional theory investigation, providing insight into the effects of medium-ring constraints on the organocatalyzed intramolecular Diels-Alder reaction to form the isobenzofuran core of the eunicellins.
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Unwinding motion of a twisted active region filament
Energy Technology Data Exchange (ETDEWEB)
Yan, X. L.; Xue, Z. K.; Kong, D. F. [Yunnan Observatories, Chinese Academy of Sciences, Kunming 650011 (China); Liu, J. H. [Department of Physics, Shijiazhuang University, Shijiazhuang 050035 (China); Xu, C. L. [Yunnan Normal University, Kunming 650092 (China)
2014-12-10
To better understand the structures of active region filaments and the eruption process, we study an active region filament eruption in active region NOAA 11082 in detail on 2010 June 22. Before the filament eruption, the opposite unidirectional material flows appeared in succession along the spine of the filament. The rising of the filament triggered two B-class flares at the upper part of the filament. As the bright material was injected into the filament from the sites of the flares, the filament exhibited a rapid uplift accompanying the counterclockwise rotation of the filament body. From the expansion of the filament, we can see that the filament consisted of twisted magnetic field lines. The total twist of the filament is at least 5π obtained by using a time slice method. According to the morphology change during the filament eruption, it is found that the active region filament was a twisted flux rope and its unwinding motion was like a solar tornado. We also find that there was a continuous magnetic helicity injection before and during the filament eruption. It is confirmed that magnetic helicity can be transferred from the photosphere to the filament. Using the extrapolated potential fields, the average decay index of the background magnetic fields over the filament is 0.91. Consequently, these findings imply that the mechanism of solar filament eruption could be due to the kink instability and magnetic helicity accumulation.
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Time-varying wing-twist improves aerodynamic efficiency of forward flight in butterflies.
Zheng, Lingxiao; Hedrick, Tyson L; Mittal, Rajat
2013-01-01
Insect wings can undergo significant chordwise (camber) as well as spanwise (twist) deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. Here we use computational models derived from experiments on free-flying butterflies to understand the effect of time-varying twist and camber on the aerodynamic performance of these insects. High-speed videogrammetry is used to capture the wing kinematics, including deformation, of a Painted Lady butterfly (Vanessa cardui) in untethered, forward flight. These experimental results are then analyzed computationally using a high-fidelity, three-dimensional, unsteady Navier-Stokes flow solver. For comparison to this case, a set of non-deforming, flat-plate wing (FPW) models of wing motion are synthesized and subjected to the same analysis along with a wing model that matches the time-varying wing-twist observed for the butterfly, but has no deformation in camber. The simulations show that the observed butterfly wing (OBW) outperforms all the flat-plate wings in terms of usable force production as well as the ratio of lift to power by at least 29% and 46%, respectively. This increase in efficiency of lift production is at least three-fold greater than reported for other insects. Interestingly, we also find that the twist-only-wing (TOW) model recovers much of the performance of the OBW, demonstrating that wing-twist, and not camber is key to forward flight in these insects. The implications of this on the design of flapping wing micro-aerial vehicles are discussed.
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Time-varying wing-twist improves aerodynamic efficiency of forward flight in butterflies.
Directory of Open Access Journals (Sweden)
Lingxiao Zheng
Full Text Available Insect wings can undergo significant chordwise (camber as well as spanwise (twist deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. Here we use computational models derived from experiments on free-flying butterflies to understand the effect of time-varying twist and camber on the aerodynamic performance of these insects. High-speed videogrammetry is used to capture the wing kinematics, including deformation, of a Painted Lady butterfly (Vanessa cardui in untethered, forward flight. These experimental results are then analyzed computationally using a high-fidelity, three-dimensional, unsteady Navier-Stokes flow solver. For comparison to this case, a set of non-deforming, flat-plate wing (FPW models of wing motion are synthesized and subjected to the same analysis along with a wing model that matches the time-varying wing-twist observed for the butterfly, but has no deformation in camber. The simulations show that the observed butterfly wing (OBW outperforms all the flat-plate wings in terms of usable force production as well as the ratio of lift to power by at least 29% and 46%, respectively. This increase in efficiency of lift production is at least three-fold greater than reported for other insects. Interestingly, we also find that the twist-only-wing (TOW model recovers much of the performance of the OBW, demonstrating that wing-twist, and not camber is key to forward flight in these insects. The implications of this on the design of flapping wing micro-aerial vehicles are discussed.
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Energy Technology Data Exchange (ETDEWEB)
Ebrahimi, Zanyar; Karami, Kayoomars [Department of Physics, University of Kurdistan, Pasdaran Street, P.O. Box 66177-15175, Sanandaj (Iran, Islamic Republic of); Soler, Roberto, E-mail: z.ebrahimi@uok.ac.ir [Departament de Física, Universitat de les Illes Balears, E-07122, Palma de Mallorca (Spain)
2017-08-10
There is observational evidence for the existence of a twisted magnetic field in the solar corona. This inspires us to investigate the effect of a twisted magnetic field on the evolution of magnetohydrodynamic (MHD) kink waves in coronal loops. With this aim, we solve the incompressible linearized MHD equations in a magnetically twisted nonuniform coronal flux tube in the limit of long wavelengths. Our results show that a twisted magnetic field can enhance or diminish the rate of phase mixing of the Alfvén continuum modes and the decay rate of the global kink oscillation depending on the twist model and the sign of the longitudinal ( k{sub z} ) and azimuthal ( m ) wavenumbers. Also, our results confirm that in the presence of a twisted magnetic field, when the sign of one of the two wavenumbers m and k {sub z} is changed, the symmetry with respect to the propagation direction is broken. Even a small amount of twist can have an important impact on the process of energy cascading to small scales.
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Effects of Head Size on the Performance of Twist-Off Bolts
Schnupp, Keith Otto
2003-01-01
This study examines a specific application of button-head type twist-off bolts. Currently, the Research Council on Structural Connections Specification (2000) removes the requirement for ASTM F436 washers (ASTM 2000a) under the bolt head of twist-off bolts where the head diameter equals or exceeds that of an ASTM F436 washer when oversized and slotted holes are used. The need for washers is also removed for A490 strength bolts used on steels with specified yield strengths less than 40 ksi p...
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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.
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Directory of Open Access Journals (Sweden)
Ying-Wen Su
Full Text Available BACKGROUND: Squamous cell carcinoma of the head and neck (SCCHN is the seventh most common cancer worldwide. Unfortunately, the survival of patients with SCCHN has not improved in the last 40 years, and thus new targets for therapy are needed. Recently, elevations in serum level of interleukin 6 (IL-6 and expression of Twist in tumor samples were found to be associated with poor clinical outcomes in multiple types of cancer, including SCCHN. Although Twist has been proposed as a master regulator of epithelial-mesenchymal transition and metastasis in cancers, the mechanisms by which Twist levels are regulated post-translationally are not completely understood. Tumor progression is characterized by the involvement of cytokines and growth factors and Twist induction has been connected with a number of these signaling pathways including IL-6. Since many of the effects of IL-6 are mediated through activation of protein phosphorylation cascades, this implies that Twist expression must be under a tight control at the post-translational level in order to respond in a timely manner to external stimuli. METHODOLOGY/PRINCIPAL FINDINGS: Our data show that IL-6 increases Twist expression via a transcription-independent mechanism in many SCCHN cell lines. Further investigation revealed that IL-6 stabilizes Twist in SCCHN cell lines through casein kinase 2 (CK2 phosphorylation of Twist residues S18 and S20, and that this phosphorylation inhibits degradation of Twist. Twist phosphorylation not only increases its stability but also enhances cell motility. Thus, post-translational modulation of Twist contributes to its tumor-promoting properties. CONCLUSIONS/SIGNIFICANCE: Our study shows Twist expression can be regulated at the post-translational level through phosphorylation by CK2, which increases Twist stability in response to IL-6 stimulation. Our findings not only provide novel mechanistic insights into post-translational regulation of Twist but also suggest
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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...
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Ellipticity and twisting of the isophotes of some bright galaxies in Virgo
International Nuclear Information System (INIS)
Barbon, R.; Benacchio, L.; Capaccioli, M.
1980-01-01
Ellipticity and twisting of the isophotes of four lenticular and seven elliptical galaxies in the Virgo cluster are presented as a sample of a more complete photometric investigation. This work has been motivated by the increasing importance of this kind of information for the understanding of the spatial structure of E galaxies. The calibrated plate material from the Loiano 1.52 meter and Tautenburg Schmidt telescopes has been digitized with a PDS microdensitometer and analysed by means of the Interactive Numerical Mapping Package (INMP). Ellipticity and orientation profiles are presented in a graphical form together with a preliminary discussion. A correlation has been found between ellipticity and twisting in barred lenticulars which might help in the understanding of some E galaxies such as NGC 4406 and NGC 4374. Twisting has been detected in all of the seven ellipticals of the sample
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Candy twists as an alternative to the glucola beverage in gestational diabetes mellitus screening.
Racusin, Diana A; Antony, Kathleen; Showalter, Lori; Sharma, Susan; Haymond, Morey; Aagaard, Kjersti M
2015-04-01
Screening for gestational diabetes mellitus commonly uses an oral glucose challenge test with a 50-g glucola beverage and subsequent venous puncture. However, up to 30% of pregnant women report significant side-effects, and the beverage is costly. We hypothesized that equivalent glucose loads could be achieved from a popular candy twist (Twizzlers; The Hershey Company, Hershey, PA) and tested it as cost-effective, tolerable alternative with a test of equivalency. The glucose equivalent of the 50-g glucola was calculated as 10 candy twists. We initially used a triple crossover design in nonpregnant patients whereby each subject served as her own control; this ensured the safety and equivalency of this load before using it among pregnant subjects. We then recruited pregnant women with an abnormal screening at 1 hour (glucose challenge test) in a double crossover design study. Subjects consumed 10 candy twists with a 1-hour venous blood glucose assessment. All subjects subsequently completed the confirmatory 3-hour glucose tolerance test. Sensitivity, specificity, positive predictive values, negative predictive values, false-referral rates, and detection rates were calculated. At ≥130 mg/dL, the sensitivity (100%) was the same for candy twists and glucola. However, the false-referral rate (82% vs 90%), positive predictive value (18% vs 10%), and detection rate (18% vs 10%) were improved for candy twists when compared with the 50-g glucola beverage. Our results indicate that strawberry-flavored candy twists are potentially an equally effective screening test, compared with the gold standard glucola beverage but lead to fewer false-positive screens and therefore could be a cost-effective alternative. Copyright © 2015 Elsevier Inc. All rights reserved.
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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)
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High Efficiency Large-Angle Pancharatnam Phase Deflector Based on Dual Twist Design
2016-12-16
construction and characterization of a ±40° beam steering device with 90% diffraction efficiency based on our dual-twist design at 633nm wavelength...N. & Escuti, M. J. Achromatic Wollaston prism beam splitter using polarization gratings. Opt. Lett. 41, 4461–4463 (2016). 13. Slussarenko, S., et...High-efficiency large-angle Pancharatnam phase deflector based on dual-twist design Kun Gao1, Colin McGinty1, Harold Payson2, Shaun Berry2, Joseph
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Energy Technology Data Exchange (ETDEWEB)
Giribabu, Lingamallu, E-mail: giribabu@iict.res.in [Inorganic & Physical Chemistry Division, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500007, Telangana (India); Jain, Kanika [Department of Chemistry, School of Chemical Sciences & Pharmacy, Central University of Rajasthan, Kishangarh, Dist. Ajmer, Rajasthan 305817 (India); Sudhakar, Kolanu; Duvva, Naresh [Inorganic & Physical Chemistry Division, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad 500007, Telangana (India); Chitta, Raghu, E-mail: raghuchitta@curaj.ac.in [Department of Chemistry, School of Chemical Sciences & Pharmacy, Central University of Rajasthan, Kishangarh, Dist. Ajmer, Rajasthan 305817 (India)
2016-09-15
We have designed and synthesized a photo-induced energy/electron donor–acceptor conjugate comprising of corrole linked to BODIPY at the 5-position via ester linkage. The dyad was characterized by elemental analysis, MALDI-MS, UV-Visible, {sup 1}H NMR fluorescence spectroscopy (steady-state and time-resolved) as well as electrochemical methods. A comparison of the UV–visible and {sup 1}H NMR spectra of the dyad with those of the corresponding individual model compounds (i.e., BODIPY-CO{sub 2}H and BPFC-OH) reveal that there exist minimum π–π interactions between BODIPY and corrole π-planes. Quenched emission of BODIPY and corrole part of the dyad has been observed in five different solvents. Excitation spectral data provided evidence for an intramolecular excitation energy transfer (EET) from the singlet BODIPY to the corrole and an intramolecular photoinduced electron transfer (PET) from singlet state of corrole to ground state of BODIPY. Detailed analysis of the data suggests that Forster's dipole–dipole mechanism does not adequately explain this energy transfer but, an electron exchange mediated mechanism can, in principle, contribute to the intramolecular EET.
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Twist map, the extended Frenkel-Kontorova model and the devil's staircase
International Nuclear Information System (INIS)
Aubry, S.
1982-01-01
Exact results obtained on the discrete Frenkel Kontorova (FK) model and its extensions during the past few years are reviewed. These models are associated with area preserving twist maps of the cylinder (or a part of it) onto itself. The theorems obtained for the FK model thus yields new theorems for the twist maps. The exact structure of the ground-states which are either commensurate or incommensurate and assert the existence of elementary discommensurations under certain necessary and sufficient conditions is described. Necessary conditions for the trajectories to represent metastable configurations, which can be chaotic, are given. The existence of a finite Peierl Nabarro barrier for elementary discommensurations is connected with a property of non-integrability of the twist map. The existence of KAM tori corresponds to undefectible incommensurate ground-states and a theorem is given which asserts that when the phenon spectrum of an incommensurate ground-state exhibits a finite gap, then the corresponding trajectory is dense on a Cantor set with zero measure length. These theorems, when applied to the initial FK model, allows one to prove the existence of the transition by breaking of analyticity for the incommensurate structures when the parameter which describes the discrepancy of the model to the integrable limit varies. Finally, we describe a theorem proving the existence of a devil's staircase for the variation curve of the atomic mean distance versus a chemical potential, for certain properties of the twist map which are generally satisfied
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International Nuclear Information System (INIS)
Chen, C-C; You, J-Y; Gau, J-P; Huang, C-E; Chen, Y-Y; Tsai, Y-H; Chou, H-J; Lung, J; Yang, M-H
2015-01-01
Epithelial–mesenchymal transition (EMT) is a critical process for inducing stem-like properties of epithelial cancer cells. However, the role of EMT inducers in hematological malignancies is unknown. Twist1, an EMT inducer necessary for cell migration, has recently been found to have transcriptionally regulatory activity on the expression of Bmi1, and these two are capable of promoting tumorigenesis in a synergized manner. Knowing that Bmi1 expression is essential for maintenance of leukemic stem cells, we speculate that Twist1 might govern the pathogenesis of acute myeloid leukemia (AML) development as well. We found that upregulated Twist1 increased Bmi1 expression in AML and endued leukemic cells a higher proliferative potential and increased resistance to apoptosis. In primary AML samples, there was strong positive correlation between the expression levels of Twist1 and Bmi1. AML patients whose leukemic blasts harbored overexpressed Twist1 had a more aggressive clinical phenotype, but they were more likely to have a better clinical outcome after standard therapy. In vitro studies confirmed that Twist1-overexpressing leukemic cells were more susceptible to cytarabine, but not daunorubicin, cytotoxicity. Our findings suggest that, in a subset of AML patients, Twist1 has a prominent role in the pathogenesis of the disease that leads to unique clinical phenotypes
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Gonthier, Jérôme F.; Corminboeuf, Clémence
2014-04-01
Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non
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International Nuclear Information System (INIS)
Gonthier, Jérôme F.; Corminboeuf, Clémence
2014-01-01
Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non
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Magyar, Angéla; Wölfling, János; Kubas, Melanie; Cuesta Seijo, Jose Antonio; Sevvana, Madhumati; Herbst-Irmer, Regine; Forgó, Péter; Schneider, Gyula
2004-05-01
Steroidal aryliminium salts were prepared from D-seco-pregnene aldehyde 2b, and their BF3.OEt2-catalyzed reactions were studied. The nature of the substituent R1 in the anilines 3-6 essentially influenced the chemoselectivity. Using unsubstituted 3, 4-methoxy- (4) or 4-bromoaniline (5), different tetrahydroquinoline derivatives 7a-13a via intramolecular hetero Diels-Alder reaction were formed. In the case of 4-nitroaniline (6) the N-arylamino-D-homopregnane (14a) were also obtained. We assume, that an intramolecular Prins reaction led to this type of fluoro-D-homosteroid. The main products represent a new class of tetrahydroquinolino-androstenes.
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First results of ETMC simulations with Nf=2+1+1 maximally twisted mass fermions
Baron, R.; Blossier, B.; Boucaud, P.; Deuzeman, A.; Drach, V.; Farchioni, F.; Gimenez, V.; Herdoiza, G.; Jansen, K.; Michael, C.; Montvay, I.; Palao, D.; Pallante, E.; Pène, O.; Reker, S.; Urbach, C.; Wagner, M.; Wenger, U.; Collaboration, for the ETM
2009-01-01
We present first results from runs performed with Nf=2+1+1 flavours of dynamical twisted mass fermions at maximal twist: a degenerate light doublet and a mass split heavy doublet. An overview of the input parameters and tuning status of our ensembles is given, together with a comparison with results
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Energy Technology Data Exchange (ETDEWEB)
Seo, Sung-Keum; Kim, Jae-Hee; Choi, Ha-Na [Division of Radiation Cancer Research, Korea Institute of Radiological and Medical Sciences, 215-4 Gongneung-dong, Nowon-gu, Seoul (Korea, Republic of); Choe, Tae-Boo [Department of Microbiological Engineering, Kon-Kuk University, Gwangjin-gu, Seoul (Korea, Republic of); Hong, Seok-Il [Department of Laboratory Medicine, Korea Cancer Center Hospital, Korea Institute of Radiological and Medical Sciences, 215-4 Gongneung-dong, Nowon-gu, Seoul (Korea, Republic of); Yi, Jae-Youn [Laboratory of Modulation of Radiobiological Responses, Korea Institute of Radiological and Medical Sciences, 215-4 Gongneung-dong, Nowon-gu, Seoul (Korea, Republic of); Hwang, Sang-Gu [Division of Radiation Cancer Research, Korea Institute of Radiological and Medical Sciences, 215-4 Gongneung-dong, Nowon-gu, Seoul (Korea, Republic of); Lee, Hyun-Gyu [Department of Microbiology and Immunology, College of Medicine, Yonsei University, 250 Seongsan-no, Seodaemun-gu, Seoul (Korea, Republic of); Lee, Yun-Han, E-mail: yhlee87@yuhs.ac [Department of Radiation Oncology, College of Medicine, Yonsei University, 250 Seongsan-no, Seodaemun-gu, Seoul (Korea, Republic of); Park, In-Chul, E-mail: parkic@kcch.re.kr [Division of Radiation Cancer Research, Korea Institute of Radiological and Medical Sciences, 215-4 Gongneung-dong, Nowon-gu, Seoul (Korea, Republic of)
2014-07-11
Highlights: • Knockdown of TWIST1 enhanced ATO- and IR-induced cell death in NSCLCs. • Intracellular ROS levels were increased in cells treated with TWIST1 siRNA. • TWIST1 siRNA induced MMP loss and mitochondrial fragmentation. • TWIST1 siRNA upregulated the fission-related proteins FIS1 and DRP1. - Abstract: TWIST1 is implicated in the process of epithelial mesenchymal transition, metastasis, stemness, and drug resistance in cancer cells, and therefore is a potential target for cancer therapy. In the present study, we found that knockdown of TWIST1 by small interfering RNA (siRNA) enhanced arsenic trioxide (ATO)- and ionizing radiation (IR)-induced cell death in non-small-cell lung cancer cells. Interestingly, intracellular reactive oxygen species levels were increased in cells treated with TWIST1 siRNA and further increased by co-treatment with ATO or IR. Pretreatment of lung cancer cells with the antioxidant N-acetyl-cysteine markedly suppressed the cell death induced by combined treatment with TWIST1 siRNA and ATO or IR. Moreover, treatment of cells with TWIST1 siRNA induced mitochondrial membrane depolarization and significantly increased mitochondrial fragmentation (fission) and upregulated the fission-related proteins FIS1 and DRP1. Collectively, our results demonstrate that siRNA-mediated TWIST1 knockdown induces mitochondrial dysfunction and enhances IR- and ATO-induced cell death in lung cancer cells.
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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.)
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International Nuclear Information System (INIS)
Chu, Hongzhu; He, Lutao; Jiang, Qian; Fang, Yuyu; Jia, Yiming; Yuan, Xiangyang; Zou, Shuliang; Li, Xianghui; Feng, Wen; Yang, Yuanyou; Liu, Ning; Luo, Shunzhong; Yang, Yanqiu; Yang, Liang; Yuan, Lihua
2014-01-01
Highlights: • Three CMPO-calix[4]arenes with spacer containing intramolecular hydrogen bonds were designed and synthesized. • The influence of local rigidification caused by intramolecular hydrogen bonds upon extraction of f-elements was investigated. • Selective extraction is realized via tuning local chelating surroundings by aid of intramolecular hydrogen bonds. -- Abstract: To understand intramolecular hydrogen bonding in effecting liquid–liquid extraction behavior of CMPO-calixarenes, three CMPO-modified calix[4]arenes (CMPO-CA) 5a–5c with hydrogen-bonded spacer were designed and synthesized. The impact of spacer rotation that is hindered by introduction of intramolecular hydrogen bonding upon extraction of La 3+ , Eu 3+ , Yb 3+ , Th 4+ , and UO 2 2+ has been examined. The results show that 5b and 5c containing only one hydrogen bond with a less hindered rotation spacer extract La 3+ more efficiently than 5a containing two hydrogen bonds with a more hindered rotation spacer, demonstrating the importance of local rigidification of spacer in the design of extractants in influencing the coordination environment. The large difference in extractability between La 3+ and Yb 3+ (or Eu 3+ ) by 5b (or 5c), and the small difference by 5a, suggests intramolecular hydrogen bonding do exert pronounced influence upon selective extraction of light and heavy lanthanides. Log–log plot analysis indicates a 1:1, 2:1 and 1:1 stoichiometry (ligand/metal) for the extracted complex formed between 5b and La 3+ , Th 4+ , UO 2 2+ , respectively. Additionally, their corresponding acyclic analogs 7a–7c exhibit negligible extraction toward these metal ions. These results reveal the possibility of selective extraction via tuning local chelating surroundings of CMPO-CA by aid of intramolecular hydrogen bonding
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Twist-writhe partitioning in a coarse-grained DNA minicircle model
Sayar, Mehmet; Avşaroǧlu, Barış; Kabakçıoǧlu, Alkan
2010-04-01
Here we present a systematic study of supercoil formation in DNA minicircles under varying linking number by using molecular-dynamics simulations of a two-bead coarse-grained model. Our model is designed with the purpose of simulating long chains without sacrificing the characteristic structural properties of the DNA molecule, such as its helicity, backbone directionality, and the presence of major and minor grooves. The model parameters are extracted directly from full-atomistic simulations of DNA oligomers via Boltzmann inversion; therefore, our results can be interpreted as an extrapolation of those simulations to presently inaccessible chain lengths and simulation times. Using this model, we measure the twist/writhe partitioning in DNA minicircles, in particular its dependence on the chain length and excess linking number. We observe an asymmetric supercoiling transition consistent with experiments. Our results suggest that the fraction of the linking number absorbed as twist and writhe is nontrivially dependent on chain length and excess linking number. Beyond the supercoiling transition, chains of the order of one persistence length carry equal amounts of twist and writhe. For longer chains, an increasing fraction of the linking number is absorbed by the writhe.
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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.
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Twist-2 Light-Cone Pion Wave Function
Belyaev, V. M.; Johnson, Mikkel B.
1997-01-01
We present an analysis of the existing constraints for the twist-2 light-cone pion wave function. We find that existing information on the pion wave function does not exclude the possibility that the pion wave function attains its asymptotic form. New bounds on the parameters of the pion wave function are presented.
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Fedyukina, Daria V.; Jennaro, Theodore S.; Cavagnero, Silvia
2014-01-01
Ribosomes are large and highly charged macromolecular complexes consisting of RNA and proteins. Here, we address the electrostatic and nonpolar properties of ribosomal proteins that are important for ribosome assembly and interaction with other cellular components and may influence protein folding on the ribosome. We examined 50 S ribosomal subunits from 10 species and found a clear distinction between the net charge of ribosomal proteins from halophilic and non-halophilic organisms. We found that ∼67% ribosomal proteins from halophiles are negatively charged, whereas only up to ∼15% of ribosomal proteins from non-halophiles share this property. Conversely, hydrophobicity tends to be lower for ribosomal proteins from halophiles than for the corresponding proteins from non-halophiles. Importantly, the surface electrostatic potential of ribosomal proteins from all organisms, especially halophiles, has distinct positive and negative regions across all the examined species. Positively and negatively charged residues of ribosomal proteins tend to be clustered in buried and solvent-exposed regions, respectively. Hence, the majority of ribosomal proteins is characterized by a significant degree of intramolecular charge segregation, regardless of the organism of origin. This key property enables the ribosome to accommodate proteins within its complex scaffold regardless of their overall net charge. PMID:24398678
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International Nuclear Information System (INIS)
Rolando, G; Nijhuis, A; Devred, A
2014-01-01
The numerical code JackPot-ACDC (van Lanen et al 2010 Cryogenics 50 139–48, van Lanen et al 2011 IEEE Trans. Appl. Supercond. 21 1926–9, van Lanen et al 2012 Supercond. Sci. Technol. 25 025012) allows fast parametric studies of the electro-magnetic performance of cable-in-conduit conductors (CICCs). In this paper the code is applied to the analysis of the relation between twist pitch length sequence and coupling loss in multi-stage ITER-type CICCs. The code shows that in the analysed conductors the coupling loss is at its minimum when the twist pitches of the successive cabling stages have a length ratio close to one. It is also predicted that by careful selection of the stage-to-stage twist pitch ratio, CICCs cabled according to long twist schemes in the initial stages can achieve lower coupling loss than conductors with shorter pitches. The result is validated by AC loss measurements performed on prototype conductors for the ITER Central Solenoid featuring different twist pitch sequences. (paper)
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Maekawa, Yasuko; Shiozaki, Akira; Majima, Yukie
2009-01-01
This study measured the twist angle of the lumbar region and the surface electromyogram (EMG) and examined their mutual relation to elucidate the degree and influence of factors of "twist" in nursing techniques as a cause of lower back pain. Using a goniometer (two-way angle and twist sensors) and an EMG(SX230; DKH Co., Ltd.), we conducted measurements by affixing the goniometer on the lumbar vertebral column and EMG sensor at four points of right and left sides of L2 and L4 (of the erector muscle of the spine). The measured nursing techniques were three common methods of "transferring a patient from bed to wheelchair," which is said to impart a heavy load on the lumbar region. Results show that the correlation value between the twist angle rate and mean energy is likely to be greater, suggesting that the magnitude of the load on the lumbar region should be related to the twist speed rather than to the twist angle of the movement itself.
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International Nuclear Information System (INIS)
Olsen, Seth; McKenzie, Ross H.
2009-01-01
We propose a minimal model Hamiltonian for the electronic structure of a monomethine dye, in order to describe the photoisomerization of such dyes. The model describes interactions between three diabatic electronic states, each of which can be associated with a valence bond structure. Monomethine dyes are characterized by a charge-transfer resonance; the indeterminacy of the single-double bonding structure dictated by the resonance is reflected in a duality of photoisomerization pathways corresponding to the different methine bonds. The possible multiplicity of decay channels complicates mechanistic models of the effect of the environment on fluorescent quantum yields, as well as coherent control strategies. We examine the extent and topology of intersection seams between the electronic states of the dye and how they relate to charge localization and selection between different decay pathways. We find that intersections between the S 1 and S 0 surfaces only occur for large twist angles. In contrast, S 2 /S 1 intersections can occur near the Franck-Condon region. When the molecule has left-right symmetry, all intersections are associated with con- or disrotations and never with single bond twists. For asymmetric molecules (i.e., where the bridge couples more strongly to one end) the S 2 and S 1 surfaces bias torsion about different bonds. Charge localization and torsion pathway biasing are correlated. We relate our observations with several recent experimental and theoretical results, which have been obtained for dyes with similar structure.
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On the propagation and the twist of Gaussian light in first-order optical systems
Bastiaans, M.J.; Nijhawan, O.P.; Gupta, A.K.; Musla, A.K.; Singh, Kehar
1998-01-01
A measure for the twist of Gaussian light is expressed in terms of the second-order moments of the Wigner distribution function. The propagation law for these moments through first-order optical systems is used to express the twist in the output plane in terms of moments in the input plane, and vice
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Dissociation of Methanol and Acetylene by slow Highly Charged Ion Collision
International Nuclear Information System (INIS)
De, Sankar; Rajput, Jyoti; Roy, A; Ahuja, R; Ghosh, P N; Safvan, C P
2007-01-01
We report here the results of dissociation of multiple charged methanol and acetylene molecules in collision with 1.2 MeV Ar 8+ projectiles. We observed a wide range of dissociation products from the TOF spectrum starting from undissociated molecular ions, fragments losing an hydrogen atom due to breakage of C-H and/or O-H bonds, to complete rupture of C-C and C-O skeletons for the respective molecules. From the coincidence map of the fragments, we could separate out the different dissociation channels between carbon and oxygen ionic fragments as well as complete two-body dissociation events. The most striking feature in the breakup of CH 3 OH is the formation of H 2 + and H 3 + due to intramolecular rearrangement of the C-H bonds within the methyl group. In dissociative ionization studies of C 2 H 2 , we observed a diatom-like behaviour of the C-C charged complex as evidenced from the measured slopes of the coincidence islands for carbon atomic charged fragments and theoretical values determined from the charge and momentum distribution of the correlated particles. The shape and orientation of the islands give further information about the momentum balance in the fragmentation process in two-body dissociation
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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.)
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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.)
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Yuan, Li; Wang, Lejia; Garrigues, Alvar R.; Jiang, Li; Annadata, Harshini Venkata; Anguera Antonana, Marta; Barco, Enrique; Nijhuis, Christian A.
2018-04-01
Solid-state molecular tunnel junctions are often assumed to operate in the Landauer regime, which describes essentially activationless coherent tunnelling processes. In solution, on the other hand, charge transfer is described by Marcus theory, which accounts for thermally activated processes. In practice, however, thermally activated transport phenomena are frequently observed also in solid-state molecular junctions but remain poorly understood. Here, we show experimentally the transition from the Marcus to the inverted Marcus region in a solid-state molecular tunnel junction by means of intra-molecular orbital gating that can be tuned via the chemical structure of the molecule and applied bias. In the inverted Marcus region, charge transport is incoherent, yet virtually independent of temperature. Our experimental results fit well to a theoretical model that combines Landauer and Marcus theories and may have implications for the interpretation of temperature-dependent charge transport measurements in molecular junctions.
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Twisting and Writhing with George Ellery Hale
Canfield, Richard C.
2013-06-01
Early in his productive career in astronomy, George Ellery Hale developed innovative solar instrumentation that allowed him to make narrow-band images. Among the solar phenomena he discovered were sunspot vortices, which he attributed to storms akin to cyclones in our own atmosphere. Using the concept of magnetic helicity, physicists and mathematicians describe the topology of magnetic fields, including twisting and writhing. Our contemporary understanding of Hale's vortices as a consequence of large-scale twist in sunspot magnetic fields hinges on a key property of helicity: conservation. I will describe the critical role that this property plays, when applied to twist and writhe, in a fundamental aspect of global solar magnetism: the hemispheric and solar cycle dependences of active region electric currents with respect to magnetic fields. With the advent of unbroken sequences of high-resolution magnetic images, such as those presently available from the Helioseismic and Magnetic Imager on Solar Dynamics Observatory, the flux of magnetic helicity through the photosphere can be observed quantitatively. As magnetic flux tubes buoy up through the convection zone, buffeted and shredded by turbulence, they break up into fragments by repeated random bifurcation. We track these rising flux fragments in the photosphere, and calculate the flux of energy and magnetic helicity there. Using a quantitative model of coronal currents, we also track connections between these fragments to calculate the energy and magnetic helicity stored at topological interfaces that are in some ways analogous to the storage of stress at faults in the Earth's crust. Comparison of these values to solar flares and interplanetary coronal mass ejections implies that this is the primary storage mechanism for energy and magnetic helicity released in those phenomena, and suggests a useful tool for quantitative prediction of geomagnetic storms.
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Napiorkowski, Maciej; Urbanczyk, Waclaw
2018-04-30
We show that in twisted microstructured optical fibers (MOFs) the coupling between the core and cladding modes can be obtained for helix pitch much greater than previously considered. We provide an analytical model describing scaling properties of the twisted MOFs, which relates coupling conditions to dimensionless ratios between the wavelength, the lattice pitch and the helix pitch of the twisted fiber. Furthermore, we verify our model using a rigorous numerical method based on the transformation optics formalism and study its limitations. The obtained results show that for appropriately designed twisted MOFs, distinct, high loss resonance peaks can be obtained in a broad wavelength range already for the fiber with 9 mm helix pitch, thus allowing for fabrication of coupling based devices using a less demanding method involving preform spinning.
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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)
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Õnnetu saatusega Oliver Twist Polanski meelevallas / Andres Laasik
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
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A zero torsional stiffness twist morphing blade as a wind turbine load alleviation device
International Nuclear Information System (INIS)
Lachenal, X; Daynes, S; Weaver, P M
2013-01-01
This paper presents the design, analysis and realization of a zero stiffness twist morphing wind turbine blade. The morphing blade is designed to actively twist as a means of alleviating the gust loads which reduce the fatigue life of wind turbine blades. The morphing structure exploits an elastic strain energy balance within the blade to enable large twisting deformations with modest actuation requirements. While twist is introduced using the warping of the blade skin, internal pre-stressed members ensure that a constant strain energy balance is achieved throughout the deformation, resulting in a zero torsional stiffness structure. The torsional stability of the morphing blade is characterized by analysing the elastic strain energy in the device. Analytical models of the skin, the pre-stressed components and the complete blade are compared to their respective finite element models as well as experimental results. The load alleviation potential of the adaptive structure is quantified using a two-dimensional steady flow aerodynamic model which is experimentally validated with wind tunnel measurements. (paper)
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On the exchange of orbital angular momentum between twisted photons and atomic electrons
International Nuclear Information System (INIS)
Davis, Basil S; Kaplan, L; McGuire, J H
2013-01-01
We obtain an expression for the matrix element for scattering of a twisted (Laguerre–Gaussian profile) photon from a hydrogen atom. We consider photons incoming with an orbital angular momentum (OAM) of ℓħ, carried by a factor of e iℓϕ not present in a plane-wave or pure Gaussian profile beam. The nature of the transfer of +2ℓ units of OAM from the photon to the azimuthal atomic quantum number of the atom is investigated. We obtain simple formulas for these OAM flip transitions for elastic forward scattering of twisted photons when the photon wavelength λ is large compared with the atomic target size a, and small compared with the Rayleigh range z R , which characterizes the collimation length of the twisted photon beam. (paper)
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Rule-based expert system to establish the linkage between yarn twist factor and end-use.
CSIR Research Space (South Africa)
Dlodlo, N
2009-09-01
Full Text Available of the fibre alignment to axis. The tex twist factor αtex is defined as: where: αtex is the tex twist factor, t = twist expressed in turns/metre (or turns/centimetre), Ti = the effective linear density (count) of the composite yarn expressed in tex... of staple fibre yarns. They can be classed by fibre length (e.g. short and long staple), by spinning system (e.g. ring and rotor), or by yarn construction (e.g. single, plied, cabled, multiple and fancy). Ring-spun yarns are produced on 1000/itex Tt=α m...
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Duality in twisted N=4 supersymmetric gauge theories in four dimensions
Labastida, J.M.F.; Lozano, Carlos
1999-01-01
We consider a twisted version of the four-dimensional N=4 supersymmetric Yang-Mills theory with gauge groups SU(2) and SO(3), and bare masses for two of its chiral multiplets, thereby breaking N=4 down to N=2. Using the wall-crossing technique introduced by Moore and Witten within the u-plane approach to twisted topological field theories, we compute the partition function and all the topological correlation functions for the case of simply-connected spin four-manifolds of simple type. By including 't Hooft fluxes, we analyse the properties of the resulting formulae under duality transformations. The partition function transforms in the same way as the one first presented by Vafa and Witten for another twist of the N=4 supersymmetric theory in their strong coupling test of S-duality. Both partition functions coincide on K3. The topological correlation functions turn out to transform covariantly under duality, following a simple pattern which seems to be inherent in a general type of topological quantum field ...
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'Twisted tape sign': Its significance in recurrent sigmoid volvulus
Energy Technology Data Exchange (ETDEWEB)
Gopal, K. [Tameside and Glossop Acute Services NHS Trust, Fountain Street, Ashton-under-Lyne OL6 9RW (United Kingdom)]. E-mail: karthikgopal73@yahoo.co.uk; Lim, Y. [Tameside and Glossop Acute Services NHS Trust, Fountain Street, Ashton-under-Lyne OL6 9RW (United Kingdom); Banerjee, B. [Tameside and Glossop Acute Services NHS Trust, Fountain Street, Ashton-under-Lyne OL6 9RW (United Kingdom)
2005-11-01
Aim: Sigmoid volvulus is a common cause of intestinal obstruction in the elderly. Mild attacks of sigmoid volvulus may be more difficult to diagnose due to the lack of severity of symptoms which may resolve spontaneously only to recur after an interval. This study was a review of patients to assess the incidence of the 'twisted tape sign' and to evaluate the significance of its presence in cases of recurrent sigmoid volvulus. Methods and materials: A retrospective study over eight years revealed six cases of surgically confirmed recurrent sigmoid volvulus. Case records and barium enemas of all patients were reviewed. Results: Six patients were identified, including four men and two women, with a median age of 56 years. Diagnostic difficulties were encountered in four (67%) patients with a delay ranging between 10 and 37 months with a mean 17.3 months. Twisted tape sign was confirmed on all barium examinations retrospectively. Conclusion: Recognition of twisted tape sign on barium enema examination along with an appropriate clinical history would suggest a diagnosis of recurrent sigmoid volvulus.
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Directory of Open Access Journals (Sweden)
Craig Armstrong
Full Text Available Increased left ventricular (LV twist and untwisting rate (LV twist mechanics are essential responses of the heart to exercise. However, previously a large variability in LV twist mechanics during exercise has been observed, which complicates the interpretation of results. This study aimed to determine some of the physiological sources of variability in LV twist mechanics during exercise. Sixteen healthy males (age: 22 ± 4 years, [Formula: see text]O2peak: 45.5 ± 6.9 ml∙kg-1∙min-1, range of individual anaerobic threshold (IAT: 32-69% of [Formula: see text]O2peak were assessed at rest and during exercise at: i the same relative exercise intensity, 40%peak, ii at 2% above IAT, and, iii at 40%peak with hypoxia (40%peak+HYP. LV volumes were not significantly different between exercise conditions (P > 0.05. However, the mean margin of error of LV twist was significantly lower (F2,47 = 2.08, P 0.05. Overall, LV twist mechanics were linearly related to rate pressure product. During exercise, the intra-individual variability of LV twist mechanics is smaller at the same relative exercise intensity compared with IAT. However, the absolute magnitude (degrees of LV twist mechanics appears to be associated with the prevailing rate pressure product. Exercise tests that evaluate LV twist mechanics should be standardised by relative exercise intensity and rate pressure product be taken into account when interpreting results.
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Armstrong, Craig; Samuel, Jake; Yarlett, Andrew; Cooper, Stephen-Mark; Stembridge, Mike; Stöhr, Eric J.
2016-01-01
Increased left ventricular (LV) twist and untwisting rate (LV twist mechanics) are essential responses of the heart to exercise. However, previously a large variability in LV twist mechanics during exercise has been observed, which complicates the interpretation of results. This study aimed to determine some of the physiological sources of variability in LV twist mechanics during exercise. Sixteen healthy males (age: 22 ± 4 years, V˙O2peak: 45.5 ± 6.9 ml∙kg-1∙min-1, range of individual anaerobic threshold (IAT): 32–69% of V˙O2peak) were assessed at rest and during exercise at: i) the same relative exercise intensity, 40%peak, ii) at 2% above IAT, and, iii) at 40%peak with hypoxia (40%peak+HYP). LV volumes were not significantly different between exercise conditions (P > 0.05). However, the mean margin of error of LV twist was significantly lower (F2,47 = 2.08, P 0.05). Overall, LV twist mechanics were linearly related to rate pressure product. During exercise, the intra-individual variability of LV twist mechanics is smaller at the same relative exercise intensity compared with IAT. However, the absolute magnitude (degrees) of LV twist mechanics appears to be associated with the prevailing rate pressure product. Exercise tests that evaluate LV twist mechanics should be standardised by relative exercise intensity and rate pressure product be taken into account when interpreting results. PMID:27100099
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Quercetin Suppresses Twist to Induce Apoptosis in MCF-7 Breast Cancer Cells.
Directory of Open Access Journals (Sweden)
Santhalakshmi Ranganathan
Full Text Available Quercetin is a dietary flavonoid which exerts anti-oxidant, anti-inflammatory and anti-cancer properties. In this study, we investigated the anti-proliferative effect of quercetin in two breast cancer cell lines (MCF-7 and MDA-MB-231, which differed in hormone receptor. IC50 value (37μM of quercetin showed significant cytotoxicity in MCF-7 cells, which was not observed in MDA-MB-231 cells even at 100μM of quercetin treatment. To study the response of cancer cells to quercetin, with respect to different hormone receptors, both the cell lines were treated with a fixed concentration (40μM of quercetin. MCF-7 cells on quercetin treatment showed more apoptotic cells with G1 phase arrest. In addition, quercetin effectively suppressed the expression of CyclinD1, p21, Twist and phospho p38MAPK, which was not observed in MDA-MB-231 cells. To analyse the molecular mechanism of quercetin in exerting an apoptotic effect in MCF-7 cells, Twist was over-expressed and the molecular changes were observed after quercetin administration. Quercetin effectively regulated the expression of Twist, in turn p16 and p21 which induced apoptosis in MCF-7 cells. In conclusion, quercetin induces apoptosis in breast cancer cells through suppression of Twist via p38MAPK pathway.
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An Analysis of the Linguistic Deviation in Chapter X of Oliver Twist
Institute of Scientific and Technical Information of China (English)
刘聪
2013-01-01
Charles Dickens is one of the greatest critical realist writers of the Victorian Age. In language, he is often compared with William Shakespeare for his adeptness with the vernacular and large vocabulary. Charles Dickens achieved a recognizable place among English writers through the use of the stylistic features in his fictional language. Oliver Twist is the best representative of Charles Dickens’style, which makes it the most appropriate choice for the present stylistic study on Charles Dickens. No one who has ever read the dehumanizing workhouse scenes of Oliver Twist and the dark, criminal underworld life can forget them. This thesis attempts to investigate Oliver Twist through the approach of modern stylistics, particularly the theory of linguistic devia-tion. This thesis consists of an introduction, the main body and a conclusion. The introduction offers a brief summary of the com-ments on Charles Dickens and Chapter X of Oliver Twist, introduces the newly rising linguistic deviation theories, and brings about the theories on which this thesis settles. The main body explores the deviation effects produced from four aspects: lexical deviation, grammatical deviation, graphological deviation, and semantic deviation. It endeavors to show Dickens ’manipulating language and the effects achieved through this manipulation. The conclusion mainly sums up the previous analysis, and reveals the theme of the novel, positive effect of linguistic deviation and significance of deviation application.
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Energy Technology Data Exchange (ETDEWEB)
Barada, Daisuke [Graduate School of Engineering, Utsunomiya University, Utsunomiya 321-8585 (Japan); Center for Optical Research and Education (CORE), Utsunomiya University, Utsunomiya 321-8585 (Japan); Juman, Guzhaliayi; Yoshida, Itsuki [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Miyamoto, Katsuhiko; Omatsu, Takashige, E-mail: omatsu@faculty.chiba-u.jp [Graduate School of Advanced Integration Science, Chiba University, Chiba 263-8522 (Japan); Molecular Chirality Research Center, Chiba University, Chiba 263-8522 (Japan); Kawata, Shigeo [Graduate School of Engineering, Utsunomiya University, Utsunomiya 321-8585 (Japan); Ohno, Seigo [Graduate School of Science, Tohoku University, Sendai 980-8578 (Japan)
2016-02-01
It was discovered that optical vortices twist isotropic and homogenous materials, e.g., azo-polymer films to form spiral structures on a nano- or micro-scale. However, the formation mechanism has not yet been established theoretically. To understand the mechanism of the spiral surface relief formation in the azo-polymer film, we theoretically investigate the optical radiation force induced in an isotropic and homogeneous material under irradiation using a continuous-wave optical vortex with arbitrary topological charge and polarization. It is revealed that the spiral surface relief formation in azo-polymer films requires the irradiation of optical vortices with a positive (negative) spin angular momentum and a positive (negative) orbital angular momentum (constructive spin-orbital angular momentum coupling), i.e., the degeneracy among the optical vortices with the same total angular momentum is resolved.