A regenerated electrochemical biosensor for label-free detection of glucose and urea based on conformational switch of i-motif oligonucleotide probe

Energy Technology Data Exchange (ETDEWEB)

Gao, Zhong Feng; Chen, Dong Mei [Key Laboratory of Eco-environments in Three Gorges Reservoir Region (Ministry of Education), School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Lei, Jing Lei [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Luo, Hong Qun, E-mail: luohq@swu.edu.cn [Key Laboratory of Eco-environments in Three Gorges Reservoir Region (Ministry of Education), School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China); Li, Nian Bing, E-mail: linb@swu.edu.cn [Key Laboratory of Eco-environments in Three Gorges Reservoir Region (Ministry of Education), School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715 (China)

2015-10-15

Improving the reproducibility of electrochemical signal remains a great challenge over the past decades. In this work, i-motif oligonucleotide probe-based electrochemical DNA (E-DNA) sensor is introduced for the first time as a regenerated sensing platform, which enhances the reproducibility of electrochemical signal, for label-free detection of glucose and urea. The addition of glucose or urea is able to activate glucose oxidase-catalyzed or urease-catalyzed reaction, inducing or destroying the formation of i-motif oligonucleotide probe. The conformational switch of oligonucleotide probe can be recorded by electrochemical impedance spectroscopy. Thus, the difference of electron transfer resistance is utilized for the quantitative determination of glucose and urea. We further demonstrate that the E-DNA sensor exhibits high selectivity, excellent stability, and remarkable regenerated ability. The human serum analysis indicates that this simple and regenerated strategy holds promising potential in future biosensing applications. - Highlights: • Conformational switch of i-motif is used for the detection of glucose and urea. • The sensor can be regenerated. • The proposed method is successfully applied in real sample assay. • Our method is label-free and inexpensive.

Switching dynamics of TaOx-based threshold switching devices

Science.gov (United States)

Goodwill, Jonathan M.; Gala, Darshil K.; Bain, James A.; Skowronski, Marek

2018-03-01

Bi-stable volatile switching devices are being used as access devices in solid-state memory arrays and as the active part of compact oscillators. Such structures exhibit two stable states of resistance and switch between them at a critical value of voltage or current. A typical resistance transient under a constant amplitude voltage pulse starts with a slow decrease followed by a rapid drop and leveling off at a low steady state value. This behavior prompted the interpretation of initial delay and fast transition as due to two different processes. Here, we show that the entire transient including incubation time, transition time, and the final resistance values in TaOx-based switching can be explained by one process, namely, Joule heating with the rapid transition due to the thermal runaway. The time, which is required for the device in the conducting state to relax back to the stable high resistance one, is also consistent with the proposed mechanism.

Chiral Induction with Chiral Conformational Switches in the Limit of Low "Sergeants to Soldiers" Ratio

DEFF Research Database (Denmark)

Nuermaimaiti, Ajiguli; Bombis, Christian; Knudsen, Martin Markvard

2014-01-01

Molecular-level insights into chiral adsorption phenomena are highly relevant within the fields of asymmetric heterogeneous catalysis or chiral separation and may contribute to understand the origins of homochirality in nature. Here, we investigate chiral induction by the "sergeants and soldiers......" mechanism for an oligo(phenylene ethynylene) based chiral conformational switch by coadsorbing it with an intrinsically chiral seed on Au(111). Through statistical analysis of scanning tunneling microscopy (STM) data we demonstrate successful chiral induction with a very low concentration of seeding...... molecules down to 3%. The microscopic mechanism for the observed chiral induction is suggested to involve nucleation of the intrinsically chiral seeds, allowing for effective transfer and amplification of chirality to large numbers of soldier target molecules....

Exploring the relationship between the conformation and pK_a

DEFF Research Database (Denmark)

Olsen, Jacob Ingemar; Sauer, Stephan P. A.; Pedersen, Christian Marcus

2015-01-01

Four substituted cis and trans-4,5-dihydroxyhexahydropyridazines that were expected to undergo pH induced conformational switching were synthesized and carefully investigated by NMR analyses and calculations. For two of the compounds a large difference in pKa existed between the two possible chair...... conformers and for one compound this resulted in conformational switching as a result of pH change. For the first time it is shown that the pKa directly reflects the conformational equilibrium of conformers....

The allosteric switching mechanism in bacteriophage MS2

Energy Technology Data Exchange (ETDEWEB)

Perkett, Matthew R.; Mirijanian, Dina T.; Hagan, Michael F., E-mail: hagan@brandeis.edu [Martin Fisher School of Physics, Brandeis University, Waltham, Massachusetts 02474 (United States)

2016-07-21

We use all-atom simulations to elucidate the mechanisms underlying conformational switching and allostery within the coat protein of the bacteriophage MS2. Assembly of most icosahedral virus capsids requires that the capsid protein adopts different conformations at precise locations within the capsid. It has been shown that a 19 nucleotide stem loop (TR) from the MS2 genome acts as an allosteric effector, guiding conformational switching of the coat protein during capsid assembly. Since the principal conformational changes occur far from the TR binding site, it is important to understand the molecular mechanism underlying this allosteric communication. To this end, we use all-atom simulations with explicit water combined with a path sampling technique to sample the MS2 coat protein conformational transition, in the presence and absence of TR-binding. The calculations find that TR binding strongly alters the transition free energy profile, leading to a switch in the favored conformation. We discuss changes in molecular interactions responsible for this shift. We then identify networks of amino acids with correlated motions to reveal the mechanism by which effects of TR binding span the protein. We find that TR binding strongly affects residues located at the 5-fold and quasi-sixfold interfaces in the assembled capsid, suggesting a mechanism by which the TR binding could direct formation of the native capsid geometry. The analysis predicts amino acids whose substitution by mutagenesis could alter populations of the conformational substates or their transition rates.

Silver ions-mediated conformational switch: facile design of structure-controllable nucleic acid probes.

Science.gov (United States)

Wang, Yongxiang; Li, Jishan; Wang, Hao; Jin, Jianyu; Liu, Jinhua; Wang, Kemin; Tan, Weihong; Yang, Ronghua

2010-08-01

Conformationally constraint nucleic acid probes were usually designed by forming an intramolecular duplex based on Watson-Crick hydrogen bonds. The disadvantages of these approaches are the inflexibility and instability in complex environment of the Watson-Crick-based duplex. We report that this hydrogen bonding pattern can be replaced by metal-ligation between specific metal ions and the natural bases. To demonstrate the feasibility of this principle, two linear oligonucleotides and silver ions were examined as models for DNA hybridization assay and adenosine triphosphate detection. The both nucleic acids contain target binding sequences in the middle and cytosine (C)-rich sequences at the lateral portions. The strong interaction between Ag(+) ions and cytosines forms stable C-Ag(+)-C structures, which promises the oligonucleotides to form conformationally constraint formations. In the presence of its target, interaction between the loop sequences and the target unfolds the C-Ag(+)-C structures, and the corresponding probes unfolding can be detected by a change in their fluorescence emission. We discuss the thermodynamic and kinetic opportunities that are provided by using Ag(+) ion complexes instead of traditional Watson-Crick-based duplex. In particular, the intrinsic feature of the metal-ligation motif facilitates the design of functional nucleic acids probes by independently varying the concentration of Ag(+) ions in the medium.

The Murid Herpesvirus-4 gL regulates an entry-associated conformation change in gH.

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Laurent Gillet

2008-07-01

Full Text Available The glycoprotein H (gH/gL heterodimer is crucial for herpesvirus membrane fusion. Yet how it functions is not well understood. The Murid Herpesvirus-4 gH, like that of other herpesviruses, adopts its normal virion conformation by associating with gL. However, gH switched back to a gL-independent conformation after virion endocytosis. This switch coincided with a conformation switch in gB and with capsid release. Virions lacking gL constitutively expressed the down-stream form of gH, prematurely switched gB to its down-stream form, and showed premature capsid release with poor infectivity. These data argue that gL plays a key role in regulating a gH and gB functional switch from cell binding to membrane fusion.

Reversible switching of ultrastrong light-molecule coupling

DEFF Research Database (Denmark)

Schwartz, T; Hutchison, J A; Genet, C

2011-01-01

We demonstrate that photochromic molecules enable switching from the weak- to ultrastrong-coupling regime reversibly, by using all-optical control. This switch is achieved by photochemically inducing conformational changes in the molecule. Remarkably, a Rabi splitting of 700 meV is measured at room...

Chromatic interocular-switch rivalry.

Science.gov (United States)

Christiansen, Jens H; D'Antona, Anthony D; Shevell, Steven K

2017-05-01

Interocular-switch rivalry (also known as stimulus rivalry) is a kind of binocular rivalry in which two rivalrous images are swapped between the eyes several times a second. The result is stable periods of one image and then the other, with stable intervals that span many eye swaps (Logothetis, Leopold, & Sheinberg, 1996). Previous work used this close kin of binocular rivalry with rivalrous forms. Experiments here test whether chromatic interocular-switch rivalry, in which the swapped stimuli differ in only chromaticity, results in slow alternation between two colors. Swapping equiluminant rivalrous chromaticities at 3.75 Hz resulted in slow perceptual color alternation, with one or the other color often continuously visible for two seconds or longer (during which there were 15+ eye swaps). A well-known theory for sustained percepts from interocular-switch rivalry with form is inhibitory competition between binocular neurons driven by monocular neurons with matched orientation tuning in each eye; such binocular neurons would produce a stable response when a given orientation is swapped between the eyes. A similar model can account for the percepts here from chromatic interocular-switch rivalry and is underpinned by the neurophysiological finding that color-preferring binocular neurons are driven by monocular neurons from each eye with well-matched chromatic selectivity (Peirce, Solomon, Forte, & Lennie, 2008). In contrast to chromatic interocular-switch rivalry, luminance interocular-switch rivalry with swapped stimuli that differ in only luminance did not result in slowly alternating percepts of different brightnesses.

Uniform stable conformal convolutional perfectly matched layer for enlarged cell technique conformal finite-difference time-domain method

International Nuclear Information System (INIS)

Wang Yue; Wang Jian-Guo; Chen Zai-Gao

2015-01-01

Based on conformal construction of physical model in a three-dimensional Cartesian grid, an integral-based conformal convolutional perfectly matched layer (CPML) is given for solving the truncation problem of the open port when the enlarged cell technique conformal finite-difference time-domain (ECT-CFDTD) method is used to simulate the wave propagation inside a perfect electric conductor (PEC) waveguide. The algorithm has the same numerical stability as the ECT-CFDTD method. For the long-time propagation problems of an evanescent wave in a waveguide, several numerical simulations are performed to analyze the reflection error by sweeping the constitutive parameters of the integral-based conformal CPML. Our numerical results show that the integral-based conformal CPML can be used to efficiently truncate the open port of the waveguide. (paper)

A conformational switch high-throughput screening assay and allosteric inhibition of the flavivirus NS2B-NS3 protease.

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Matthew Brecher

2017-05-01

Full Text Available The flavivirus genome encodes a single polyprotein precursor requiring multiple cleavages by host and viral proteases in order to produce the individual proteins that constitute an infectious virion. Previous studies have revealed that the NS2B cofactor of the viral NS2B-NS3 heterocomplex protease displays a conformational dynamic between active and inactive states. Here, we developed a conformational switch assay based on split luciferase complementation (SLC to monitor the conformational change of NS2B and to characterize candidate allosteric inhibitors. Binding of an active-site inhibitor to the protease resulted in a conformational change of NS2B and led to significant SLC enhancement. Mutagenesis of key residues at an allosteric site abolished this induced conformational change and SLC enhancement. We also performed a virtual screen of NCI library compounds to identify allosteric inhibitors, followed by in vitro biochemical screening of the resultant candidates. Only three of these compounds, NSC135618, 260594, and 146771, significantly inhibited the protease of Dengue virus 2 (DENV2 in vitro, with IC50 values of 1.8 μM, 11.4 μM, and 4.8 μM, respectively. Among the three compounds, only NSC135618 significantly suppressed the SLC enhancement triggered by binding of active-site inhibitor in a dose-dependent manner, indicating that it inhibits the conformational change of NS2B. Results from virus titer reduction assays revealed that NSC135618 is a broad spectrum flavivirus protease inhibitor, and can significantly reduce titers of DENV2, Zika virus (ZIKV, West Nile virus (WNV, and Yellow fever virus (YFV on A549 cells in vivo, with EC50 values in low micromolar range. In contrast, the cytotoxicity of NSC135618 is only moderate with CC50 of 48.8 μM on A549 cells. Moreover, NSC135618 inhibited ZIKV in human placental and neural progenitor cells relevant to ZIKV pathogenesis. Results from binding, kinetics, Western blot, mass spectrometry and

Theoretical Insights into the Biophysics of Protein Bi-stability and Evolutionary Switches.

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Tobias Sikosek

2016-06-01

Full Text Available Deciphering the effects of nonsynonymous mutations on protein structure is central to many areas of biomedical research and is of fundamental importance to the study of molecular evolution. Much of the investigation of protein evolution has focused on mutations that leave a protein's folded structure essentially unchanged. However, to evolve novel folds of proteins, mutations that lead to large conformational modifications have to be involved. Unraveling the basic biophysics of such mutations is a challenge to theory, especially when only one or two amino acid substitutions cause a large-scale conformational switch. Among the few such mutational switches identified experimentally, the one between the GA all-α and GB α+β folds is extensively characterized; but all-atom simulations using fully transferrable potentials have not been able to account for this striking switching behavior. Here we introduce an explicit-chain model that combines structure-based native biases for multiple alternative structures with a general physical atomic force field, and apply this construct to twelve mutants spanning the sequence variation between GA and GB. In agreement with experiment, we observe conformational switching from GA to GB upon a single L45Y substitution in the GA98 mutant. In line with the latent evolutionary potential concept, our model shows a gradual sequence-dependent change in fold preference in the mutants before this switch. Our analysis also indicates that a sharp GA/GB switch may arise from the orientation dependence of aromatic π-interactions. These findings provide physical insights toward rationalizing, predicting and designing evolutionary conformational switches.

DNA and RNA-controlled switching of protein kinase activity

NARCIS (Netherlands)

Röglin, L.; Altenbrunn, F.; Seitz, O.

2009-01-01

Protein switches use the binding energy gained upon recognition of ligands to modulate the conformation and binding properties of protein segments. We explored whether the programmable nucleic acid mediated recognition might be used to design or mimic constraints that limit the conformational

Exciplex and excimer molecular probes: detection of conformational flip in a myo-inositol chair.

Science.gov (United States)

Kadirvel, Manikandan; Arsic, Biljana; Freeman, Sally; Bichenkova, Elena V

2008-06-07

2-O-tert-Butyldimethylsilyl-4,6-bis-O-pyrenoyl-myo-inositol-1,3,5-orthoformate (6) and 2-O-tert-butyldimethylsilyl-4-O-[4-(dimethylamino)benzoyl]-6-O-pyrenoyl-myo-inositol-1,3,5-orthoacetate (10) adopt conformationally restricted unstable chairs with five axial substituents. In the symmetrical diester 6, the two pi-stacked pyrenoyl groups are electron acceptor-donor partners, giving a strong intramolecular excimer emission. In the mixed ester 10, the pyrenoyl group is the electron acceptor and the 4-(dimethylamino)benzoyl ester is the electron donor, giving a strong intramolecular exciplex emission. The conformation of the mixed ester 10 was assessed using 1H NMR spectroscopy (1H-NOESY) and computational studies. which showed the minimum inter-centroid distance between the two aromatic systems to be approximately 3.9 A. Upon addition of acid, the orthoformate/orthoacetate trigger in 6 and 10 was cleaved, which caused a switch of the conformation of the myo-inositol ring to the more stable penta-equatorial chair, leading to separation of the aromatic ester groups and loss of excimer and exciplex fluorescence, respectively. This study provides proof of principle for the development of novel fluorescent molecular probes.

Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol.

Science.gov (United States)

Cerezo, Javier; Aranda, Daniel; Avila Ferrer, Francisco J; Prampolini, Giacomo; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Santoro, Fabrizio

2018-06-01

We extend a recently proposed mixed quantum/classical method for computing the vibronic electronic circular dichroism (ECD) spectrum of molecules with different conformers, to cases where more than one hindered rotation is present. The method generalizes the standard procedure, based on the simple Boltzmann average of the vibronic spectra of the stable conformers, and includes the contribution of structures that sample all the accessible conformational space. It is applied to the simulation of the ECD spectrum of (S)-2,2,2-trifluoroanthrylethanol, a molecule with easily interconvertible conformers, whose spectrum exhibits a pattern of alternating positive and negative vibronic peaks. Results are in very good agreement with experiment and show that spectra averaged over all the sampled conformational space can deviate significantly from the simple average of the contributions of the stable conformers. The present mixed quantum/classical method is able to capture the effect of the nonlinear dependence of the rotatory strength on the molecular structure and of the anharmonic couplings among the modes responsible for molecular flexibility. Despite its computational cost, the procedure is still affordable and promises to be useful in all cases where the ECD shape arises from a subtle balance between vibronic effects and conformational variety. © 2018 Wiley Periodicals, Inc.

Dynamic fluctuations provide the basis of a conformational switch mechanism in apo cyclic AMP receptor protein.

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Burcu Aykaç Fas

Full Text Available Escherichia coli cyclic AMP Receptor Protein (CRP undergoes conformational changes with cAMP binding and allosterically promotes CRP to bind specifically to the DNA. In that, the structural and dynamic properties of apo CRP prior to cAMP binding are of interest for the comprehension of the activation mechanism. Here, the dynamics of apo CRP monomer/dimer and holo CRP dimer were studied by Molecular Dynamics (MD simulations and Gaussian Network Model (GNM. The interplay of the inter-domain hinge with the cAMP and DNA binding domains are pre-disposed in the apo state as a conformational switch in the CRP's allosteric communication mechanism. The hinge at L134-D138 displaying intra- and inter-subunit coupled fluctuations with the cAMP and DNA binding domains leads to the emergence of stronger coupled fluctuations between the two domains and describes an on state. The flexible regions at K52-E58, P154/D155 and I175 maintain the dynamic coupling of the two domains. With a shift in the inter-domain hinge position towards the N terminus, nevertheless, the latter correlations between the domains loosen and become disordered; L134-D138 dynamically interacts only with the cAMP and DNA binding domains of its own subunit, and an off state is assumed. We present a mechanistic view on how the structural dynamic units are hierarchically built for the allosteric functional mechanism; from apo CRP monomer to apo-to-holo CRP dimers.

Rational Design and Tuning of Functional RNA Switch to Control an Allosteric Intermolecular Interaction.

Science.gov (United States)

Endoh, Tamaki; Sugimoto, Naoki

2015-08-04

Conformational transitions of biomolecules in response to specific stimuli control many biological processes. In natural functional RNA switches, often called riboswitches, a particular RNA structure that has a suppressive or facilitative effect on gene expression transitions to an alternative structure with the opposite effect upon binding of a specific metabolite to the aptamer region. Stability of RNA secondary structure (-ΔG°) can be predicted based on thermodynamic parameters and is easily tuned by changes in nucleobases. We envisioned that tuning of a functional RNA switch that causes an allosteric interaction between an RNA and a peptide would be possible based on a predicted switching energy (ΔΔG°) that corresponds to the energy difference between the RNA secondary structure before (-ΔG°before) and after (-ΔG°after) the RNA conformational transition. We first selected functional RNA switches responsive to neomycin with predicted ΔΔG° values ranging from 5.6 to 12.2 kcal mol(-1). We then demonstrated a simple strategy to rationally convert the functional RNA switch to switches responsive to natural metabolites thiamine pyrophosphate, S-adenosyl methionine, and adenine based on the predicted ΔΔG° values. The ΔΔG° values of the designed RNA switches proportionally correlated with interaction energy (ΔG°interaction) between the RNA and peptide, and we were able to tune the sensitivity of the RNA switches for the trigger molecule. The strategy demonstrated here will be generally applicable for construction of functional RNA switches and biosensors in which mechanisms are based on conformational transition of nucleic acids.

Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis.

Science.gov (United States)

Kamachi, Takashi; Yoshizawa, Kazunari

2016-02-22

A conformational search program for finding low-energy conformations of large noncovalent complexes has been developed. A quantitatively reliable semiempirical quantum mechanical PM6-DH+ method, which is able to accurately describe noncovalent interactions at a low computational cost, was employed in contrast to conventional conformational search programs in which molecular mechanical methods are usually adopted. Our approach is based on the low-mode method whereby an initial structure is perturbed along one of its low-mode eigenvectors to generate new conformations. This method was applied to determine the most stable conformation of transition state for enantioselective alkylation by the Maruoka and cinchona alkaloid catalysts and Hantzsch ester hydrogenation of imines by chiral phosphoric acid. Besides successfully reproducing the previously reported most stable DFT conformations, the conformational search with the semiempirical quantum mechanical calculations newly discovered a more stable conformation at a low computational cost.

The Hinge Segment of Human NADPH-Cytochrome P450 Reductase in Conformational Switching: The Critical Role of Ionic Strength

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Diana Campelo

2017-10-01

Full Text Available NADPH-cytochrome P450 reductase (CPR is a redox partner of microsomal cytochromes P450 and is a prototype of the diflavin reductase family. CPR contains 3 distinct functional domains: a FMN-binding domain (acceptor reduction, a linker (hinge, and a connecting/FAD domain (NADPH oxidation. It has been demonstrated that the mechanism of CPR exhibits an important step in which it switches from a compact, closed conformation (locked state to an ensemble of open conformations (unlocked state, the latter enabling electron transfer to redox partners. The conformational equilibrium between the locked and unlocked states has been shown to be highly dependent on ionic strength, reinforcing the hypothesis of the presence of critical salt interactions at the interface between the FMN and connecting FAD domains. Here we show that specific residues of the hinge segment are important in the control of the conformational equilibrium of CPR. We constructed six single mutants and two double mutants of the human CPR, targeting residues G240, S243, I245 and R246 of the hinge segment, with the aim of modifying the flexibility or the potential ionic interactions of the hinge segment. We measured the reduction of cytochrome c at various salt concentrations of these 8 mutants, either in the soluble or membrane-bound form of human CPR. All mutants were found capable of reducing cytochrome c yet with different efficiency and their maximal rates of cytochrome c reduction were shifted to lower salt concentration. In particular, residue R246 seems to play a key role in a salt bridge network present at the interface of the hinge and the connecting domain. Interestingly, the effects of mutations, although similar, demonstrated specific differences when present in the soluble or membrane-bound context. Our results demonstrate that the electrostatic and flexibility properties of the hinge segment are critical for electron transfer from CPR to its redox partners.

Action of Molecular Switches in GPCRs - Theoretical and Experimental Studies

Science.gov (United States)

Trzaskowski, B; Latek, D; Yuan, S; Ghoshdastider, U; Debinski, A; Filipek, S

2012-01-01

G protein coupled receptors (GPCRs), also called 7TM receptors, form a huge superfamily of membrane proteins that, upon activation by extracellular agonists, pass the signal to the cell interior. Ligands can bind either to extracellular N-terminus and loops (e.g. glutamate receptors) or to the binding site within transmembrane helices (Rhodopsin-like family). They are all activated by agonists although a spontaneous auto-activation of an empty receptor can also be observed. Biochemical and crystallographic methods together with molecular dynamics simulations and other theoretical techniques provided models of the receptor activation based on the action of so-called “molecular switches” buried in the receptor structure. They are changed by agonists but also by inverse agonists evoking an ensemble of activation states leading toward different activation pathways. Switches discovered so far include the ionic lock switch, the 3-7 lock switch, the tyrosine toggle switch linked with the nPxxy motif in TM7, and the transmission switch. The latter one was proposed instead of the tryptophan rotamer toggle switch because no change of the rotamer was observed in structures of activated receptors. The global toggle switch suggested earlier consisting of a vertical rigid motion of TM6, seems also to be implausible based on the recent crystal structures of GPCRs with agonists. Theoretical and experimental methods (crystallography, NMR, specific spectroscopic methods like FRET/BRET but also single-molecule-force-spectroscopy) are currently used to study the effect of ligands on the receptor structure, location of stable structural segments/domains of GPCRs, and to answer the still open question on how ligands are binding: either via ensemble of conformational receptor states or rather via induced fit mechanisms. On the other hand the structural investigations of homo- and heterodimers and higher oligomers revealed the mechanism of allosteric signal transmission and receptor

The cytosolic DNA sensor cGAS forms an oligomeric complex with DNA and undergoes switch-like conformational changes in the activation loop.

Science.gov (United States)

Zhang, Xu; Wu, Jiaxi; Du, Fenghe; Xu, Hui; Sun, Lijun; Chen, Zhe; Brautigam, Chad A; Zhang, Xuewu; Chen, Zhijian J

2014-02-13

The presence of DNA in the cytoplasm is a danger signal that triggers immune and inflammatory responses. Cytosolic DNA binds to and activates cyclic GMP-AMP (cGAMP) synthase (cGAS), which produces the second messenger cGAMP. cGAMP binds to the adaptor protein STING and activates a signaling cascade that leads to the production of type I interferons and other cytokines. Here, we report the crystal structures of human cGAS in its apo form, representing its autoinhibited conformation as well as in its cGAMP- and sulfate-bound forms. These structures reveal switch-like conformational changes of an activation loop that result in the rearrangement of the catalytic site. The structure of DNA-bound cGAS reveals a complex composed of dimeric cGAS bound to two molecules of DNA. Functional analyses of cGAS mutants demonstrate that both the protein-protein interface and the two DNA binding surfaces are critical for cGAS activation. These results provide insights into the mechanism of DNA sensing by cGAS. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop

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Xu Zhang

2014-02-01

Full Text Available The presence of DNA in the cytoplasm is a danger signal that triggers immune and inflammatory responses. Cytosolic DNA binds to and activates cyclic GMP-AMP (cGAMP synthase (cGAS, which produces the second messenger cGAMP. cGAMP binds to the adaptor protein STING and activates a signaling cascade that leads to the production of type I interferons and other cytokines. Here, we report the crystal structures of human cGAS in its apo form, representing its autoinhibited conformation as well as in its cGAMP- and sulfate-bound forms. These structures reveal switch-like conformational changes of an activation loop that result in the rearrangement of the catalytic site. The structure of DNA-bound cGAS reveals a complex composed of dimeric cGAS bound to two molecules of DNA. Functional analyses of cGAS mutants demonstrate that both the protein-protein interface and the two DNA binding surfaces are critical for cGAS activation. These results provide insights into the mechanism of DNA sensing by cGAS.

Real-time observation of conformational switching in single conjugated polymer chains.

Science.gov (United States)

Tenopala-Carmona, Francisco; Fronk, Stephanie; Bazan, Guillermo C; Samuel, Ifor D W; Penedo, J Carlos

2018-02-01

Conjugated polymers (CPs) are an important class of organic semiconductors that combine novel optoelectronic properties with simple processing from organic solvents. It is important to study CP conformation in solution to understand the physics of these materials and because it affects the properties of solution-processed films. Single-molecule techniques are unique in their ability to extract information on a chain-to-chain basis; however, in the context of CPs, technical challenges have limited their general application to host matrices or semiliquid environments that constrain the conformational dynamics of the polymer. We introduce a conceptually different methodology that enables measurements in organic solvents using the single-end anchoring of polymer chains to avoid diffusion while preserving polymer flexibility. We explore the effect of organic solvents and show that, in addition to chain-to-chain conformational heterogeneity, collapsed and extended polymer segments can coexist within the same chain. The technique enables real-time solvent-exchange measurements, which show that anchored CP chains respond to sudden changes in solvent conditions on a subsecond time scale. Our results give an unprecedented glimpse into the mechanism of solvent-induced reorganization of CPs and can be expected to lead to a new range of techniques to investigate and conformationally manipulate CPs.

KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry

Energy Technology Data Exchange (ETDEWEB)

Lu, Jia; Harrison, Rane A.; Li, Lianbo; Zeng, Mei; Gondi, Sudershan; Scott, David; Gray, Nathanael S.; Engen, John R.; Westover, Kenneth D. (NEU); (DFCI); (UTSMC); (Harvard-Med)

2017-09-01

KRAS G12C, the most common RAS mutation found in non-small-cell lung cancer, has been the subject of multiple recent covalent small-molecule inhibitor campaigns including efforts directed at the guanine nucleotide pocket and separate work focused on an inducible pocket adjacent to the switch motifs. Multiple conformations of switch II have been observed, suggesting that switch II pocket (SIIP) binders may be capable of engaging a range of KRAS conformations. Here we report the use of hydrogen/deuterium-exchange mass spectrometry (HDX MS) to discriminate between conformations of switch II induced by two chemical classes of SIIP binders. We investigated the structural basis for differences in HDX MS using X-ray crystallography and discovered a new SIIP configuration in response to binding of a quinazoline chemotype. These results have implications for structure-guided drug design targeting the RAS SIIP.

Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions

International Nuclear Information System (INIS)

Eibl, Clarissa; Hessenberger, Manuel; Wenger, Julia; Brandstetter, Hans

2014-01-01

Pyrin domains (PYDs) recruit downstream effector molecules in NLR signalling. A specific charge-relay system suggests a the formation of a signalling complex involving a PYD dimer. The cytosolic tripartite NLR receptors serve as important signalling platforms in innate immunity. While the C-terminal domains act as sensor and activation modules, the N-terminal death-like domain, e.g. the CARD or pyrin domain, is thought to recruit downstream effector molecules by homotypic interactions. Such homotypic complexes have been determined for all members of the death-domain superfamily except for pyrin domains. Here, crystal structures of human NLRP14 pyrin-domain variants are reported. The wild-type protein as well as the clinical D86V mutant reveal an unexpected rearrangement of the C-terminal helix α6, resulting in an extended α5/6 stem-helix. This reordering mediates a novel symmetric pyrin-domain dimerization mode. The conformational switching is controlled by a charge-relay system with a drastic impact on protein stability. How the identified charge relay allows classification of NLRP receptors with respect to distinct recruitment mechanisms is discussed

Protein Conformational Plasticity: the 'off-on' Switching Movement in Cdk5

International Nuclear Information System (INIS)

Cavalli, Andrea; Recanatini, Maurizio; Berteotti, Anna; Branduardi, Davide; Gervasio, Francesco L.; Parrinello, Michele

2007-01-01

Cyclin-dependent kinases (CDKs) are mostly known for their role in the cell cycle regulation. The activation mechanism of all CDKs involves the association with a regulatory protein, generally a cyclin, that binds to the kinase unit and stabilizes a catalytically active conformation. Active and inactive conformations of CDKs are characterized by the different spatial localization of two typical elements, namely the activation loop and an □-helix, whose amino-acid composition varies throughout the family

Ligand binding turns moth pheromone-binding protein into a pH sensor: effect on the Antheraea polyphemus PBP1 conformation.

Science.gov (United States)

Katre, Uma V; Mazumder, Suman; Prusti, Rabi K; Mohanty, Smita

2009-11-13

In moths, pheromone-binding proteins (PBPs) are responsible for the transport of the hydrophobic pheromones to the membrane-bound receptors across the aqueous sensillar lymph. We report here that recombinant Antheraea polyphemus PBP1 (ApolPBP1) picks up hydrophobic molecule(s) endogenous to the Escherichia coli expression host that keeps the protein in the "open" (bound) conformation at high pH but switches to the "closed" (free) conformation at low pH. This finding has bearing on the solution structures of undelipidated lepidopteran moth PBPs determined thus far. Picking up a hydrophobic molecule from the host expression system could be a common feature for lipid-binding proteins. Thus, delipidation is critical for bacterially expressed lipid-binding proteins. We have shown for the first time that the delipidated ApolPBP1 exists primarily in the closed form at all pH levels. Thus, current views on the pH-induced conformational switch of PBPs hold true only for the ligand-bound open conformation of the protein. Binding of various ligands to delipidated ApolPBP1 studied by solution NMR revealed that the protein in the closed conformation switches to the open conformation only at or above pH 6.0 with a protein to ligand stoichiometry of approximately 1:1. Mutation of His(70) and His(95) to alanine drives the equilibrium toward the open conformation even at low pH for the ligand-bound protein by eliminating the histidine-dependent pH-induced conformational switch. Thus, the delipidated double mutant can bind ligand even at low pH in contrast to the wild type protein as revealed by fluorescence competitive displacement assay using 1-aminoanthracene and solution NMR.

Stereoelectronic Effect-Induced Conductance Switching in Aromatic Chain Single-Molecule Junctions.

Science.gov (United States)

Xin, Na; Wang, Jinying; Jia, Chuancheng; Liu, Zitong; Zhang, Xisha; Yu, Chenmin; Li, Mingliang; Wang, Shuopei; Gong, Yao; Sun, Hantao; Zhang, Guanxin; Liu, Zhirong; Zhang, Guangyu; Liao, Jianhui; Zhang, Deqing; Guo, Xuefeng

2017-02-08

Biphenyl, as the elementary unit of organic functional materials, has been widely used in electronic and optoelectronic devices. However, over decades little has been fundamentally understood regarding how the intramolecular conformation of biphenyl dynamically affects its transport properties at the single-molecule level. Here, we establish the stereoelectronic effect of biphenyl on its electrical conductance based on the platform of graphene-molecule single-molecule junctions, where a specifically designed hexaphenyl aromatic chain molecule is covalently sandwiched between nanogapped graphene point contacts to create stable single-molecule junctions. Both theoretical and temperature-dependent experimental results consistently demonstrate that phenyl twisting in the aromatic chain molecule produces different microstates with different degrees of conjugation, thus leading to stochastic switching between high- and low-conductance states. These investigations offer new molecular design insights into building functional single-molecule electrical devices.

Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines.

Science.gov (United States)

Bettini, Simona; Maglie, Emanuela; Pagano, Rosanna; Borovkov, Victor; Inoue, Yoshihisa; Valli, Ludovico; Giancane, Gabriele

2015-01-01

Cu,H2-bis-porphyrin (Cu,H2-Por2), in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir-Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase) to a surface plasmon resonance (SPR) substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines

Directory of Open Access Journals (Sweden)

Simona Bettini

2015-11-01

Full Text Available Cu,H2-bis-porphyrin (Cu,H2-Por2, in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir–Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase to a surface plasmon resonance (SPR substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

Mechanics of responsive polymers via conformationally switchable molecules

Science.gov (United States)

Brighenti, Roberto; Artoni, Federico; Vernerey, Franck; Torelli, Martina; Pedrini, Alessandro; Domenichelli, Ilaria; Dalcanale, Enrico

2018-04-01

Active materials are those capable of giving some physical reaction under external stimuli coming from the environment such as temperature, pH, light, mechanical stress, etc. Reactive polymeric materials can be obtained through the introduction of switchable molecules in their network, i.e. molecules having two distinct stable conformations: if properly linked to the hosting polymer chains, the switching from one state to the other can promote a mechanical reaction of the material, detectable at the macroscale, and thus enables us to tune the response according to a desired functionality. In the present paper, the main aspects of the mechanical behavior of polymeric materials with embedded switchable molecules-properly linked to the polymer's chains-are presented and discussed. Starting from the micro mechanisms occurring in such active material, a continuum model is developed, providing a straightforward implementation in computational approaches. Finally, some experimental outcomes related to a switchable molecules (known as quinoxaline cavitands) added to an elastomeric PDMS under chemical stimuli, are presented and quantitatively discussed through the use of the developed mechanical framework.

Multi-Stable Conductance States in Metallic Double-Walled Carbon Nanotubes

Directory of Open Access Journals (Sweden)

Ci Lijie

2009-01-01

Full Text Available Abstract Electrical transport properties of individual metallic double-walled carbon nanotubes (DWCNTs were measured down to liquid helium temperature, and multi-stable conductance states were found in DWCNTs. At a certain temperature, DWCNTs can switch continuously between two or more electronic states, but below certain temperature, DWCNTs are stable only at one of them. The temperature for switching is always different from tube to tube, and even different from thermal cycle to cycle for the same tube. In addition to thermal activation, gate voltage scanning can also realize such switching among different electronic states. The multi-stable conductance states in metallic DWCNTs can be attributed to different Fermi level or occasional scattering centers induced by different configurations between their inner and outer tubes.

Conformational Control of Energy Transfer: A Mechanism for Biocompatible Nanocrystal-Based Sensors

OpenAIRE

Kay, Euan R.; Lee, Jungmin; Nocera, Daniel; Bawendi, Moungi G.

2012-01-01

Fold-up fluorophore: A new paradigm for designing self-referencing fluorescent nanosensors is demonstrated by interfacing a pH-triggered molecular conformational switch with quantum dots. Analytedependent, large-amplitude conformational motion controls the distance between the nanocrystal energy donor and an organic FRET acceptor. The result is a fluorescence signal capable of reporting pH values from individual endosomes in living cells.

Conformational cooling and conformation selective aggregation in dimethyl sulfite isolated in solid rare gases

Science.gov (United States)

Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, Rui

2006-08-01

Dimethyl sulfite has three conformers of low energy, GG, GT and GG', which have significant populations in the gas phase at room temperature. According to theoretical predictions, the GT and GG' conformers are higher in energy than the GG conformer by 0.83 and 1.18 kJ mol -1, respectively, while the barriers associated with the GG'→GT and GT→GG isomerizations are 1.90 and 9.64 kJ mol -1, respectively. Experimental data obtained for the compound isolated in solid argon, krypton and xenon demonstrated that the GG'→GT energy barrier is low enough to allow an extensive conversion of the GG' form into the GT conformer during deposition of the matrices, the extent of the conversion increasing along the series Arconformers could be trapped in both argon and krypton matrices, but, at a given temperature, the amount of GG' form trapped in krypton is considerably smaller than in argon, while the amount of GT form increases in relation to the most stable GG form. In addition, when xenon is used, no bands due to GG' are observed in the as-deposited spectra ( Tsubstrate≥10 K, the minimum substrate temperature accessible to our experimental set up), indicating that when the best relaxant gas is used the GG'→GT conversion during deposition of the matrix is complete even at 10 K. Annealing of the argon and krypton matrices shows that the increase of the temperature of the matrix first promotes the GG'→GT isomerization, and only at higher temperatures the GT→GG conversion starts to occur, in consonance with the relative energy barriers associated with these two processes. The results also indicate that dimethyl sulfite exhibits conformation selective aggregation, with the most stable form, which has the highest dipole moment, aggregating more easily than the remaining experimentally relevant conformers (GT and GG').

Isomerization of Orthogonal Molecular Switches Encapsulated within Micelles Solubilizing Carbon Nanotubes

DEFF Research Database (Denmark)

Kreft, Stefanie K.; Petersen, Michael Åxman; Nielsen, Mogens Brøndsted

2015-01-01

We study the effects of the proximity of the orthogonal dipole-switching moiety dihydroazulene/vinylheptafulvene (DHA/VHF) to carbon nanotubes (CNTs). The switches are introduced into a micelle surrounding the CNTs, thereby achieving very close proximity between the molecules and the CNTs...... of the CNTs and the resulting reversible redshift of the nanotubes' emission by the change of the molecules' conformation....

Switching behavior of double-decker single molecule magnets on a metal surface

Energy Technology Data Exchange (ETDEWEB)

Fu, Yingshuang; Schwoebel, Joerg; Hoffmann, Germar; Brede, Jens; Wiesendanger, Roland [University of Hamburg, Hamburg (Germany); Dillulo, Andrew [Ohio University, Athens (United States); Klyatskaya, Svetlana [Karlsruhe Institute of Technology, Karlsruhe (Germany); Ruben, Mario [Karlsruhe Institute of Technology, Karlsruhe (Germany); Universite de Strasbourg, Strasbourg (France)

2011-07-01

Single molecule magnets (SMM) are most promising materials for spin based molecular electronics. Due to their large magnetic anisotropy stabilized by inside chemical bonds, SMM can potentially be used for information storage at the single molecule level. For applications, it is of importance to adsorb the SMM onto surfaces and to study their subsequent conformational, electronic and magnetic properties. We have investigated the adsorption behavior of Tb and Dy based double-decker SMM on an Ir(111) surface with low temperature scanning tunneling microscopy and spectroscopy. It is found that Tb double-decker molecules bind tightly to the Ir(111) surface. By resonantly injecting tunneling electrons into its LUMO or HOMO state, the Tb double-decker molecule can be switched from a four-lobed structure to an eight-lobed structure. After switching, energy positions of the HOMO and LUMO states both shift closer to the Fermi level. Dy double-decker molecules also exhibit the same switching properties on the Ir(111) surface. The switching behavior of the molecules is tentatively attributed to a conformational change of the double-decker molecular frame.

Graphene Q-switched Yb:KYW planar waveguide laser

NARCIS (Netherlands)

Kim, Jun Wan; Choi, Sun Young; Aravazhi, S.; Pollnau, Markus; Griebner, Uwe; Petrov, Valentin; Bae, Sukang; Ahn, Kwang Jun; Yeom, Dong-Il; Rotermund, Fabian

A diode-pumped Yb:KYW planar waveguide laser, single-mode Q-switched by evanescent-field interaction with graphene, is demonstrated for the first time. Few-layer graphene grown by chemical vapor deposition is transferred onto the top of a guiding layer, which initiates stable Q-switched operation in

Fliposomes: pH-triggered conformational flip of new trans-2-aminocyclohexanol-based amphiphiles causes instant cargo release in liposomes.

Science.gov (United States)

Liu, Xin; Zheng, Yu; Samoshina, Nataliya M; Franz, Andreas H; Guo, Xin; Samoshin, Vyacheslav V

2012-12-01

A new type of pH-sensitive liposomes (fliposomes) was designed based on the amphiphiles that are able to perform a pH-triggered conformational flip (flipids). This flip disrupts the liposome membrane and causes rapid release of the liposome cargo, specifically in response to lowered pH. The flipids (1) and (2) are equipped with a trans-2-aminocyclohexanol conformational switch. pH-sensitive fliposomes containing one or both of these flipids, as well as POPC and PEG ceramide, were constructed and characterized. These compositions were stable at 4°C and pH 7.4 for several months. Fliposomes loaded with ANTS/DPX performed an unusually quick content release within a few seconds at pH below 8.5 (in case of 2) and 6.0 (in case of 1). This difference in pH sensitivity demonstrates a potential for the custom design of flipids by variation of the amino group to target areas with specific pH values. The pH titration curves for the fliposome leakage parallel the curves for the acid-induced conformational flip of 1 and 2 studied by ¹H NMR. A plausible mechanism of pH sensitivity starts with an acid-triggered conformational flip of 1 or 2, which changes the molecular size and shape, shortens the lipid tails, and perturbs the liposome membrane, resulting in the content leakage.

Torsional Arming of Thiomannosyl Donors & Conformational Control of Hexahydropyridazines via pH

DEFF Research Database (Denmark)

Olsen, Jacob Ingemar

The overall objective of the research presented in this PhD thesis was to investigate torsional arming of thiogalacto- and thiomannosyl donors (part 1) and to investigate the possible synthesis and attachment of a pH regulated conformational switch to an α-cyclodextrin (part 2). Part 1: It is well...... demonstrated their ability to change conformation under different conditions. These conformational changes are connected to various intramolecular interactions and can to some extent, be controlled by pH (Chapter 3). Fusing these conformationally labile compounds to the rim of a cyclodextrin would create...... compounds that could release molecules at a specified change in pH conditions. To investigate this, four hexahydropyridazines were synthesized and investigated for their pH induced conformational change (Chapter 4). Out of the four compounds, one revealed to flip between two conformations depending on pH...

Conformation sensitive charge transport in conjugated polymers

International Nuclear Information System (INIS)

Mattias Andersson, L.; Hedström, Svante; Persson, Petter

2013-01-01

Temperature dependent charge carrier mobility measurements using field effect transistors and density functional theory calculations are combined to show how the conformation dependent frontier orbital delocalization influences the hole- and electron mobilities in a donor-acceptor based polymer. A conformationally sensitive lowest unoccupied molecular orbital results in an electron mobility that decreases with increasing temperature above room temperature, while a conformationally stable highest occupied molecular orbital is consistent with a conventional hole mobility behavior and also proposed to be one of the reasons for why the material works well as a hole transporter in amorphous bulk heterojunction solar cells

Stable switching of resistive random access memory on the nanotip array electrodes

KAUST Repository

Tsai, Kun-Tong

2016-09-13

The formation/rupture of conducting filaments (CFs) in resistive random access memory (ReRAM) materials tune the electrical conductivities non-volatilely and are largely affected by its material composition [1], internal configurations [2] and external environments [3,4]. Therefore, controlling repetitive formation/rupture of CF as well as the spatial uniformity of formed CF are fundamentally important for improving the resistive switching (RS) performance. In this context, we have shown that by adding a field initiator, typically a textured electrode, both performance and switching uniformity of ReRAMs can be improved dramatically [5]. In addition, despite its promising characteristics, the scalable fabrication and structural homogeneity of such nanostructured electrodes are still lacking or unattainable, making miniaturization of ReRAM devices an exceeding challenge. Here, we employ nanostructured electrode (nanotip arrays, extremely uniform) formed spontaneously via a self-organized process to improve the ZnO ReRAM switching characteristics.

An automated and efficient conformation search of L-cysteine and L,L-cystine using the scaled hypersphere search method

Science.gov (United States)

Kishimoto, Naoki; Waizumi, Hiroki

2017-10-01

Stable conformers of L-cysteine and L,L-cystine were explored using an automated and efficient conformational searching method. The Gibbs energies of the stable conformers of L-cysteine and L,L-cystine were calculated with G4 and MP2 methods, respectively, at 450, 298.15, and 150 K. By assuming thermodynamic equilibrium and the barrier energies for the conformational isomerization pathways, the estimated ratios of the stable conformers of L-cysteine were compared with those determined by microwave spectroscopy in a previous study. Equilibrium structures of 1:1 and 2:1 cystine-Fe complexes were also calculated, and the energy of insertion of Fe into the disulfide bond was obtained.

Theoretical and Spectroscopic investigations of conformations, rotational barriers and scaled vibrations of 2,3-dimethyl hexane

Directory of Open Access Journals (Sweden)

Aziz Aboulmouhajir

2017-01-01

Full Text Available The 2,3-dimethyl hexane conformational isomerism has been investigated in detail, based on HF, Post-HF and DFT calculations at different basis set. The effect of size of basis, ZPE, thermal contributions, electronic correlation and optimization methods on the conformational stability was discussed. The rotational barriers from the most stable conformer to the lowest energy secondary conformers and their correspondent inversion barriers at both HF and MP2 methods using 6-31G* basis set have also been approached. A normal mode calculation of the most and less-stable conformers using a scaled ab initio force field in terms of non-redundant local symmetry coordinates have been made to elucidate the conformational dependence of the vibrational spectra.

Autoinhibition and signaling by the switch II motif in the G-protein chaperone of a radical B12 enzyme.

Science.gov (United States)

Lofgren, Michael; Koutmos, Markos; Banerjee, Ruma

2013-10-25

MeaB is an accessory GTPase protein involved in the assembly, protection, and reactivation of 5'-deoxyadenosyl cobalamin-dependent methylmalonyl-CoA mutase (MCM). Mutations in the human ortholog of MeaB result in methylmalonic aciduria, an inborn error of metabolism. G-proteins typically utilize conserved switch I and II motifs for signaling to effector proteins via conformational changes elicited by nucleotide binding and hydrolysis. Our recent discovery that MeaB utilizes an unusual switch III region for bidirectional signaling with MCM raised questions about the roles of the switch I and II motifs in MeaB. In this study, we addressed the functions of conserved switch II residues by performing alanine-scanning mutagenesis. Our results demonstrate that the GTPase activity of MeaB is autoinhibited by switch II and that this loop is important for coupling nucleotide-sensitive conformational changes in switch III to elicit the multiple chaperone functions of MeaB. Furthermore, we report the structure of MeaB·GDP crystallized in the presence of AlFx(-) to form the putative transition state analog, GDP·AlF4(-). The resulting crystal structure and its comparison with related G-proteins support the conclusion that the catalytic site of MeaB is incomplete in the absence of the GTPase-activating protein MCM and therefore unable to stabilize the transition state analog. Favoring an inactive conformation in the absence of the client MCM protein might represent a strategy for suppressing the intrinsic GTPase activity of MeaB in which the switch II loop plays an important role.

Resistance switching memory in perovskite oxides

International Nuclear Information System (INIS)

Yan, Z.B.; Liu, J.-M.

2015-01-01

The resistance switching behavior has recently attracted great attentions for its application as resistive random access memories (RRAMs) due to a variety of advantages such as simple structure, high-density, high-speed and low-power. As a leading storage media, the transition metal perovskite oxide owns the strong correlation of electrons and the stable crystal structure, which brings out multifunctionality such as ferroelectric, multiferroic, superconductor, and colossal magnetoresistance/electroresistance effect, etc. The existence of rich electronic phases, metal–insulator transition and the nonstoichiometric oxygen in perovskite oxide provides good platforms to insight into the resistive switching mechanisms. In this review, we first introduce the general characteristics of the resistance switching effects, the operation methods and the storage media. Then, the experimental evidences of conductive filaments, the transport and switching mechanisms, and the memory performances and enhancing methods of perovskite oxide based filamentary RRAM cells have been summarized and discussed. Subsequently, the switching mechanisms and the performances of the uniform RRAM cells associating with the carrier trapping/detrapping and the ferroelectric polarization switching have been discussed. Finally, the advices and outlook for further investigating the resistance switching and enhancing the memory performances are given

Calcium-Responsive Liposomes via a Synthetic Lipid Switch.

Science.gov (United States)

Lou, Jinchao; Carr, Adam J; Watson, Alexa J; Mattern-Schain, Samuel I; Best, Michael D

2018-03-07

Liposomal drug delivery would benefit from enhanced control over content release. Here, we report a novel avenue for triggering release driven by chemical composition using liposomes sensitized to calcium-a target chosen due to its key roles in biology and disease. To demonstrate this principle, we synthesized calcium-responsive lipid switch 1, designed to undergo conformational changes upon calcium binding. The conformational change perturbs membrane integrity, thereby promoting cargo release. This was shown through fluorescence-based release assays via dose-dependent response depending on the percentage of 1 in liposomes, with minimal background leakage in controls. DLS experiments indicated dramatic changes in particle size upon treatment of liposomes containing 1 with calcium. In a comparison of ten naturally occurring metal cations, calcium provided the greatest release. Finally, STEM images showed significant changes in liposome morphology upon treatment of liposomes containing 1 with calcium. These results showcase lipid switches driven by molecular recognition principles as an exciting avenue for controlling membrane properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rapid protein production from stable CHO cell pools using plasmid vector and the cumate gene-switch.

Science.gov (United States)

Poulain, Adeline; Perret, Sylvie; Malenfant, Félix; Mullick, Alaka; Massie, Bernard; Durocher, Yves

2017-08-10

To rapidly produce large amounts of recombinant proteins, the generation of stable Chinese Hamster Ovary (CHO) cell pools represents a useful alternative to large-scale transient gene expression (TGE). We have developed a cell line (CHO BRI/rcTA ) allowing the inducible expression of recombinant proteins, based on the cumate gene switch. After the identification of optimal plasmid DNA topology (supercoiled vs linearized plasmid) for PEIpro™ mediated transfection and of optimal conditions for methionine sulfoximine (MSX) selection, we were able to generate CHO BRI/rcTA pools producing high levels of recombinant proteins. Volumetric productivities of up to 900mg/L were reproducibly achieved for a Fc fusion protein and up to 350mg/L for an antibody after 14days post-induction in non-optimized fed-batch cultures. In addition, we show that CHO pool volumetric productivities are not affected by a freeze-thaw cycle or following maintenance in culture for over one month in the presence of MSX. Finally, we demonstrate that volumetric protein production with the CR5 cumate-inducible promoter is three- to four-fold higher than with the human CMV or hybrid EF1α-HTLV constitutive promoters. These results suggest that the cumate-inducible CHO BRI/rcTA stable pool platform is a powerful and robust system for the rapid production of gram amounts of recombinant proteins. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

Crystal structures and conformers of CyMe4-BTBP

Directory of Open Access Journals (Sweden)

Lyczko Krzysztof

2015-12-01

Full Text Available The crystal structure of new conformation of the CyMe4-BTBP ligand (ttc has been presented. The ttt conformer of this compound in a form of THF solvate has been also crystallized. The geometries of six possible conformations (ttt, ttc, tct, tcc, ctc and ccc of the CyMe4-BTBP ligand have been modeled in the gas phase and in solutions (MeOH and H2O by DFT calculations using B3LYP/6-31G(d,p method. According to the calculations, in the three different media the conformers with trans orientation of the N atoms in the bipyridyl moiety are the most stable.

Electroforming-free resistive switching memory effect in transparent p-type tin monoxide

KAUST Repository

Hota, M. K.; Caraveo-Frescas, J. A.; McLachlan, M. A.; Alshareef, Husam N.

2014-01-01

We report reproducible low bias bipolar resistive switching behavior in p-type SnO thin film devices without extra electroforming steps. The experimental results show a stable resistance ratio of more than 100 times, switching cycling performance up

The Role of Conserved Waters in Conformational Transitions of Q61H K-ras

Science.gov (United States)

Prakash, Priyanka; Sayyed-Ahmad, Abdallah; Gorfe, Alemayehu A.

2012-01-01

To investigate the stability and functional role of long-residence water molecules in the Q61H variant of the signaling protein K-ras, we analyzed all available Ras crystal structures and conformers derived from a series of independent explicit solvent molecular dynamics (MD) simulations totaling 1.76 µs. We show that the protein samples a different region of phase space in the presence and absence of several crystallographically conserved and buried water molecules. The dynamics of these waters is coupled with the local as well as the global motions of the protein, in contrast to less buried waters whose exchange with bulk is only loosely coupled with the motion of loops in their vicinity. Aided by two novel reaction coordinates involving the distance (d) between the Cα atoms of G60 at switch 2 and G10 at the P-loop and the N-Cα-C-O dihedral (ξ) of G60, we further show that three water molecules located in lobe1, at the interface between the lobes and at lobe2, are involved in the relative motion of residues at the two lobes of Q61H K-ras. Moreover, a d/ξ plot classifies the available Ras x-ray structures and MD-derived K-ras conformers into active GTP-, intermediate GTP-, inactive GDP-bound, and nucleotide-free conformational states. The population of these states and the transition between them is modulated by water-mediated correlated motions involving the functionally critical switch 2, P-loop and helix 3. These results suggest that water molecules act as allosteric ligands to induce a population shift among distinct switch 2 conformations that differ in effector recognition. PMID:22359497

Multimodal switching of conformation and solubility in homocysteine derived polypeptides

OpenAIRE

Kramer, JR; Deming, TJ

2014-01-01

We report the design and synthesis of poly(S-alkyl-l-homocysteine)s, which were found to be a new class of readily prepared, multiresponsive polymers that possess the unprecedented ability to respond in different ways to different stimuli, either through a change in chain conformation or in water solubility. The responsive properties of these materials are also effected under mild conditions and are completely reversible for all pathways. The key components of these polymers are the incorpora...

Design of convergent switched systems

NARCIS (Netherlands)

Berg, van den R.A.; Pogromsky, A.Y.; Leonov, G.A.; Rooda, J.E.; Pettersen, K.Y.; Gravdahl, J.T.; Nijmeijer, H.

2006-01-01

In this paper we deal with the problem of rendering hybrid/nonlinear systems into convergent closed-loop systems by means of a feedback law or switching rules. We illustrate our approach to this problem by means of two examples: the anti-windup design for a marginally stable system with input

Theoretical conformational analysis of the bovine adrenal medulla 12 residue peptide molecule

Science.gov (United States)

Akhmedov, N. A.; Tagiyev, Z. H.; Hasanov, E. M.; Akverdieva, G. A.

2003-02-01

The spatial structure and conformational properties of the bovine adrenal medulla 12 residue peptide Tyr1-Gly2-Gly3-Phe4-Met5-Arg6-Arg7-Val8-Gly9-Arg10-Pro11-Glu12 (BAM-12P) molecule were studied by theoretical conformational analysis. It is revealed that this molecule can exist in several stable states. The energy and geometrical parameters for the low-energy conformations are obtained. The conformationally rigid and labile segments of this molecule were revealed.

Conformational analysis of some 4‧-substituted 2-(phenylselanyl)- 2-(methoxy)- acetophenones

Science.gov (United States)

Traesel, Henrique J.; Olivato, Paulo R.; Valença, J.; Rodrigues, Daniel N. S.; Zukerman-Schpector, Julio; Colle, Maurizio Dal

2018-04-01

A conformational study of some 4‧-substituited 2-(phenylselanyl)-2-(methoxy)-acetophenones (OMe 1, H 2, and Cl 3) was performed using IR carbonyl stretching band analysis supported by NBO and PCM calculations at the B3LYP/6-31 + G (d,p) level for 1-3 and using X-ray diffraction for 1 and 2. The computational results indicated the existence of three stable conformers for the series (c2, c3, and c1 in order of decreasing stability), whose relative abundance changes with solvent permittivity. The experimental trend observed for the components of the triplet carbonyl band in all solvents matches well with computational results and thus allows for their assignment to distinct conformers. The relative population of the c1 conformer increases in more polar solvents, becoming the most stable conformer in the highest permittivity solvent, acetonitrile, as indicated by IR spectra and PCM calculations. These findings are related to the quasi parallel geometry assumed by the Cδ+ = Oδ- and Cδ+-Oδ- dipoles, which favour stronger solvation. NBO analysis shows that the sum of the energies (ΣE) of the relevant orbital interactions stabilizes the c3 conformer of 1-3 slightly, likely due to the minor contribution of the LPO5→σ*C3sbnd Se10 interaction. However, only the c1 conformer is significantly destabilized by the Oδ-(1)CO … Oδ-(5)OMe short contact electrostatic repulsion, which is also responsible for its highest νCO frequency. In addition, the LPO5→ σ*C2sbnd C3 orbital interaction accounts for the lowest νCO frequency of c3 conformer. X-ray single crystal analysis of compounds 1 and 2 indicates that in the solid state they assume the least stable c1 conformation found in the gas phase. Molecules of these compounds are stabilized in the crystal through a series of Csbnd H⋯O and Csbnd H … π intermolecular interactions.

Backreaction from non-conformal quantum fields in de Sitter spacetime

Energy Technology Data Exchange (ETDEWEB)

Perez-Nadal, Guillem; Verdaguer, Enric [Departament de Fisica Fonamental and Institut de Ciencies del Cosmos, Universitat de Barcelona, Av Diagonal 647, 08028 Barcelona (Spain); Roura, Albert [Theoretical Division, T-8, Los Alamos National Laboratory, M.S. B285, Los Alamos, NM 87545 (United States)

2008-08-07

We study the backreaction on the mean field geometry due to a non-conformal quantum field in a Robertson-Walker background. In the regime of small mass and small deviation from conformal coupling, we compute perturbatively the expectation value of the stress tensor of the field for a variety of vacuum states, and use it to obtain explicitly the semiclassical gravity solutions for isotropic perturbations around de Sitter spacetime, which is found to be stable. Our results clearly show the crucial role of the non-local terms that appear in the effective action: they cancel the contribution from local terms proportional to the logarithm of the scale factor which would otherwise become dominant at late times and prevent the existence of a stable self-consistent de Sitter solution. Finally, the opposite regime of a strongly non-conformal field with a large mass is also considered.

High-Speed and Low-Energy Flip-Flop Operation of Asymmetric Active-Multimode Interferometer Bi-Stable Laser Diodes

DEFF Research Database (Denmark)

Jiang, Haisong; Chaen, Yutaka; Hagio, Takuma

2011-01-01

High-speed (121/25 ps rise/fall time) and low-switching energy (7.1 and 3.4 fJ) alloptical flip-flop operation of single-wavelength high-mesa asymmetric active-MMI bi-stable laser diodes is demonstrated for the first time using 25 ps long switching pulses.......High-speed (121/25 ps rise/fall time) and low-switching energy (7.1 and 3.4 fJ) alloptical flip-flop operation of single-wavelength high-mesa asymmetric active-MMI bi-stable laser diodes is demonstrated for the first time using 25 ps long switching pulses....

Revisiting the origin of the preferential π-π stacking conformation of the (+)-8-phenylmenthyl acrylate

International Nuclear Information System (INIS)

Capim, Saulo L.; Santana, Sidney R.; Oliveira, Boaz G. de; Rocha, Gerd B.; Vasconcellos, Mario L.A.A

2010-01-01

In this paper we report a theoretical study aiming to revisit the origin of the preferential π-π stacking conformation of the (+)-8-phenylmenthyl acrylate (2). For this, we have applied several DFT and ab initio methods to calculate local minimum geometries, vibrational frequencies, thermochemical properties and 1 H NMR chemical shifts for 2 and the model compound 3-phenylpropyl acrylate (3). We have observed that the MPW1B95 functional was the most suitable method to explain 1 H NMR experimental data which show the stacking conformation of 2 (2S) is more stable that trans conformation (2T) and the stacking conformation of 3 (3S) is less stable that trans conformation (3T). After that, geometrical and energetic features of the intermolecular complex benzene...methylacrylate (4) have also been studied using MPW1B95 method. From our results, we have noticed that both steric and dispersion effects play a key role in the conformational equilibrium of 2. (author)

Molecular dynamics studies of the conformation of sorbitol

Science.gov (United States)

Lerbret, A.; Mason, P.E.; Venable, R.M.; Cesàro, A.; Saboungi, M.-L.; Pastor, R.W.; Brady, J.W.

2009-01-01

Molecular dynamics simulations of a 3 m aqueous solution of D-sorbitol (also called D-glucitol) have been performed at 300 K, as well as at two elevated temperatures to promote conformational transitions. In principle, sorbitol is more flexible than glucose since it does not contain a constraining ring. However, a conformational analysis revealed that the sorbitol chain remains extended in solution, in contrast to the bent conformation found experimentally in the crystalline form. While there are 243 staggered conformations of the backbone possible for this open-chain polyol, only a very limited number were found to be stable in the simulations. Although many conformers were briefly sampled, only eight were significantly populated in the simulation. The carbon backbones of all but two of these eight conformers were completely extended, unlike the bent crystal conformation. These extended conformers were stabilized by a quite persistent intramolecular hydrogen bond between the hydroxyl groups of carbon C-2 and C-4. The conformational populations were found to be in good agreement with the limited available NMR data except for the C-2–C-3 torsion (spanned by the O-2–O-4 hydrogen bond), where the NMR data supports a more bent structure. PMID:19744646

Synchronization in slowly switching networks of coupled oscillators

Science.gov (United States)

Zhou, Jie; Zou, Yong; Guan, Shuguang; Liu, Zonghua; Boccaletti, S.

2016-01-01

Networks whose structure of connections evolves in time constitute a big challenge in the study of synchronization, in particular when the time scales for the evolution of the graph topology are comparable with (or even longer than) those pertinent to the units’ dynamics. We here focus on networks with a slow-switching structure, and show that the necessary conditions for synchronization, i.e. the conditions for which synchronization is locally stable, are determined by the time average of the largest Lyapunov exponents of transverse modes of the switching topologies. Comparison between fast- and slow-switching networks allows elucidating that slow-switching processes prompt synchronization in the cases where the Master Stability Function is concave, whereas fast-switching schemes facilitate synchronization for convex curves. Moreover, the condition of slow-switching enables the introduction of a control strategy for inducing synchronization in networks with arbitrary structure and coupling strength, which is of evident relevance for broad applications in real world systems. PMID:27779253

Design of adaptive switching control for hypersonic aircraft

Directory of Open Access Journals (Sweden)

Xin Jiao

2015-10-01

Full Text Available This article proposes a novel adaptive switching control of hypersonic aircraft based on type-2 Takagi–Sugeno–Kang fuzzy sliding mode control and focuses on the problem of stability and smoothness in the switching process. This method uses full-state feedback to linearize the nonlinear model of hypersonic aircraft. Combining the interval type-2 Takagi–Sugeno–Kang fuzzy approach with sliding mode control keeps the adaptive switching process stable and smooth. For rapid stabilization of the system, the adaptive laws use a direct constructive Lyapunov analysis together with an established type-2 Takagi–Sugeno–Kang fuzzy logic system. Simulation results indicate that the proposed control scheme can maintain the stability and smoothness of switching process for the hypersonic aircraft.

Quantum-chemical study on the bioactive conformation of epothilones.

Science.gov (United States)

Jiménez, Verónica A

2010-12-27

Herein, I report a DFT study on the bioactive conformation of epothilone A based on the analysis of 92 stable conformations of free and bound epothilone to a reduced model of tubulin receptor. The equilibrium structures and relative energies were studied using B3LYP and X3LYP functionals and the 6-31G(d) standard basis set, which was considered appropriate for the size of the systems under study. Calculated relative energies of free and bound epothilones led me to propose a new model for the bioactive conformation of epothilone A, which accounts for several structure-activity data.

Models of charge transport and transfer in molecular switch tunnel junctions of bistable catenanes and rotaxanes

International Nuclear Information System (INIS)

Flood, Amar H.; Wong, Eric W.; Stoddart, J. Fraser

2006-01-01

The processes by which charge transfer can occur play a foundational role in molecular electronics. Here we consider simplified models of the transfer processes that could be present in bistable molecular switch tunnel junction (MSTJ) devices during one complete cycle of the device from its low- to high- and back to low-conductance state. The bistable molecular switches, which are composed of a monolayer of either switchable catenanes or rotaxanes, exist in either a ground-state co-conformation or a metastable one in which the conduction properties of the two co-conformations, when measured at small biases (+0.1 V), are significantly different irrespective of whether transport is dominated by tunneling or hopping. The voltage-driven generation (±2 V) of molecule-based redox states, which are sufficiently long-lived to allow the relative mechanical movements necessary to switch between the two co-conformations, rely upon unequal charge transfer rates on to and/or off of the molecules. Surface-enhanced Raman spectroscopy has been used to image the ground state of the bistable rotaxane in MSTJ-like devices. Consideration of these models provide new ways of looking at molecular electronic devices that rely, not only on nanoscale charge-transport, but also upon the bustling world of molecular motion in mechanically interlocked bistable molecules

Conformational elasticity can facilitate TALE-DNA recognition.

Science.gov (United States)

Lei, Hongxing; Sun, Jiya; Baldwin, Enoch P; Segal, David J; Duan, Yong

2014-01-01

Sequence-programmable transcription activator-like effector (TALE) proteins have emerged as a highly efficient tool for genome engineering. Recent crystal structures depict a transition between an open unbound solenoid and more compact DNA-bound solenoid formed by the 34 amino acid repeats. How TALEs switch conformation between these two forms without substantial energetic compensation, and how the repeat-variable di-residues (RVDs) discriminate between the cognate base and other bases still remain unclear. Computational analysis on these two aspects of TALE-DNA interaction mechanism has been conducted in order to achieve a better understanding of the energetics. High elasticity was observed in the molecular dynamics simulations of DNA-free TALE structure that started from the bound conformation where it sampled a wide range of conformations including the experimentally determined apo and bound conformations. This elastic feature was also observed in the simulations starting from the apo form which suggests low free energy barrier between the two conformations and small compensation required upon binding. To analyze binding specificity, we performed free energy calculations of various combinations of RVDs and bases using Poisson-Boltzmann surface area (PBSA) and other approaches. The PBSA calculations indicated that the native RVD-base structures had lower binding free energy than mismatched structures for most of the RVDs examined. Our theoretical analyses provided new insight on the dynamics and energetics of TALE-DNA binding mechanism. © 2014 Elsevier Inc. All rights reserved.

Bipolar resistive switching behaviors of ITO nanowire networks

Directory of Open Access Journals (Sweden)

Qiang Li

2016-02-01

Full Text Available We have fabricated indium tin oxide (ITO nanowire (NW networks on aluminum electrodes using electron beam evaporation. The Ag/ITO-NW networks/Al capacitor exhibits bipolar resistive switching behavior. The resistive switching characteristics of ITO-NW networks are related to the morphology of NWs. The x-ray photoelectron spectroscopy was used to obtain the chemical nature from the NWs surface, investigating the oxygen vacancy state. A stable switching voltages and a clear memory window were observed in needle-shaped NWs. The ITO-NW networks can be used as a new two-dimensional metal oxide material for the fabrication of high-density memory devices.

Spherical conformal models for compact stars

Energy Technology Data Exchange (ETDEWEB)

Takisa, P.M.; Maharaj, S.D.; Manjonjo, A.M.; Moopanar, S. [University of KwaZulu-Natal, Astrophysics and Cosmology Research Unit, School of Mathematics, Statistics and Computer Science, Durban (South Africa)

2017-10-15

We consider spherical exact models for compact stars with anisotropic pressures and a conformal symmetry. The conformal symmetry condition generates an integral relationship between the gravitational potentials. We solve this condition to find a new anisotropic solution to the Einstein field equations. We demonstrate that the exact solution produces a relativistic model of a compact star. The model generates stellar radii and masses consistent with PSR J1614-2230, Vela X1, PSR J1903+327 and Cen X-3. A detailed physical examination shows that the model is regular, well behaved and stable. The mass-radius limit and the surface red shift are consistent with observational constraints. (orig.)

Conditions for Model Matching of Switched Asynchronous Sequential Machines with Output Feedback

OpenAIRE

Jung–Min Yang

2016-01-01

Solvability of the model matching problem for input/output switched asynchronous sequential machines is discussed in this paper. The control objective is to determine the existence condition and design algorithm for a corrective controller that can match the stable-state behavior of the closed-loop system to that of a reference model. Switching operations and correction procedures are incorporated using output feedback so that the controlled switched machine can show the ...

Thermodynamics of the GTP-GDP-operated conformational switch of selenocysteine-specific translation factor SelB.

Science.gov (United States)

Paleskava, Alena; Konevega, Andrey L; Rodnina, Marina V

2012-08-10

SelB is a specialized translation factor that binds GTP and GDP and delivers selenocysteyl-tRNA (Sec-tRNA(Sec)) to the ribosome. By analogy to elongation factor Tu (EF-Tu), SelB is expected to control the delivery and release of Sec-tRNA(Sec) to the ribosome by the structural switch between GTP- and GDP-bound conformations. However, crystal structures of SelB suggested a similar domain arrangement in the apo form and GDP- and GTP-bound forms of the factor, raising the question of how SelB can fulfill its delivery function. Here, we studied the thermodynamics of guanine nucleotide binding to SelB by isothermal titration calorimetry in the temperature range between 10 and 25 °C using GTP, GDP, and two nonhydrolyzable GTP analogs, guanosine 5'-O-(γ-thio)triphosphate (GTPγS) and guanosine 5'-(β,γ-imido)-triphosphate (GDPNP). The binding of SelB to either guanine nucleotide is characterized by a large heat capacity change (-621, -467, -235, and -275 cal × mol(-1) × K(-1), with GTP, GTPγS, GDPNP, and GDP, respectively), associated with compensatory changes in binding entropy and enthalpy. Changes in heat capacity indicate a large decrease of the solvent-accessible surface area in SelB, amounting to 43 or 32 amino acids buried upon binding of GTP or GTPγS, respectively, and 15-19 amino acids upon binding GDP or GDPNP. The similarity of the GTP and GDP forms in the crystal structures can be attributed to the use of GDPNP, which appears to induce a structure of SelB that is more similar to the GDP than to the GTP-bound form.

Exponential Stability of Time-Switched Two-Subsystem Nonlinear Systems with Application to Intermittent Control

Directory of Open Access Journals (Sweden)

Huang Tingwen

2009-01-01

Full Text Available This paper studies the exponential stability of a class of periodically time-switched nonlinear systems. Three cases of such systems which are composed, respectively, of a pair of unstable subsystems, of both stable and unstable subsystems, and of a pair of stable systems, are considered. For the first case, the proposed result shows that there exists periodically switching rule guaranteeing the exponential stability of the whole system with (sufficient small switching period if there is a Hurwitz linear convex combination of two uncertain linear systems derived from two subsystems by certain linearization. For the second case, we present two general switching criteria by means of multiple and single Lyapunov function, respectively. We also investigate the stability issue of the third case, and the switching criteria of exponential stability are proposed. The present results for the second case are further applied to the periodically intermittent control. Several numerical examples are also given to show the effectiveness of theoretical results.

A Rac1--GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna, G.; Stebbins, C

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

A Rac1-GDP Trimer Complex Binds Zinc with Tetrahedral and Octahedral Coordination, Displacing Magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna,G.; Stebbins, E.

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

TRIP13 is a protein-remodeling AAA+ ATPase that catalyzes MAD2 conformation switching.

Science.gov (United States)

Ye, Qiaozhen; Rosenberg, Scott C; Moeller, Arne; Speir, Jeffrey A; Su, Tiffany Y; Corbett, Kevin D

2015-04-28

The AAA+ family ATPase TRIP13 is a key regulator of meiotic recombination and the spindle assembly checkpoint, acting on signaling proteins of the conserved HORMA domain family. Here we present the structure of the Caenorhabditis elegans TRIP13 ortholog PCH-2, revealing a new family of AAA+ ATPase protein remodelers. PCH-2 possesses a substrate-recognition domain related to those of the protein remodelers NSF and p97, while its overall hexameric architecture and likely structural mechanism bear close similarities to the bacterial protein unfoldase ClpX. We find that TRIP13, aided by the adapter protein p31(comet), converts the HORMA-family spindle checkpoint protein MAD2 from a signaling-active 'closed' conformer to an inactive 'open' conformer. We propose that TRIP13 and p31(comet) collaborate to inactivate the spindle assembly checkpoint through MAD2 conformational conversion and disassembly of mitotic checkpoint complexes. A parallel HORMA protein disassembly activity likely underlies TRIP13's critical regulatory functions in meiotic chromosome structure and recombination.

TRIP13 is a protein-remodeling AAA+ ATPase that catalyzes MAD2 conformation switching

Energy Technology Data Exchange (ETDEWEB)

Ye, Qiaozhen [Ludwig Institute for Cancer Research, San Diego Branch, La Jolla, United States; Rosenberg, Scott C. [Ludwig Institute for Cancer Research, San Diego Branch, La Jolla, United States; Moeller, Arne [National Resource for Automated Molecular Microscopy, Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, United States; Speir, Jeffrey A. [National Resource for Automated Molecular Microscopy, Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, United States; Su, Tiffany Y. [Ludwig Institute for Cancer Research, San Diego Branch, La Jolla, United States; Corbett, Kevin D. [Ludwig Institute for Cancer Research, San Diego Branch, La Jolla, United States; Department of Cellular and Molecular Medicine, University of California, San Diego, La Jolla, United States

2015-04-28

The AAA+ family ATPase TRIP13 is a key regulator of meiotic recombination and the spindle assembly checkpoint, acting on signaling proteins of the conserved HORMA domain family. Here we present the structure of the Caenorhabditis elegans TRIP13 ortholog PCH-2, revealing a new family of AAA+ ATPase protein remodelers. PCH-2 possesses a substrate-recognition domain related to those of the protein remodelers NSF and p97, while its overall hexameric architecture and likely structural mechanism bear close similarities to the bacterial protein unfoldase ClpX. We find that TRIP13, aided by the adapter protein p31(comet), converts the HORMA-family spindle checkpoint protein MAD2 from a signaling-active ‘closed’ conformer to an inactive ‘open’ conformer. We propose that TRIP13 and p31(comet) collaborate to inactivate the spindle assembly checkpoint through MAD2 conformational conversion and disassembly of mitotic checkpoint complexes. A parallel HORMA protein disassembly activity likely underlies TRIP13's critical regulatory functions in meiotic chromosome structure and recombination.

Stable switching of resistive random access memory on the nanotip array electrodes

KAUST Repository

Tsai, Kun-Tong; Ho, Chih-Hsiang; Chang, Wen-Yuan; Ke, Jr-Jian; Mungan, Elif Selin; Wang, Yuh-Lin; He, Jr-Hau

2016-01-01

] and external environments [3,4]. Therefore, controlling repetitive formation/rupture of CF as well as the spatial uniformity of formed CF are fundamentally important for improving the resistive switching (RS) performance. In this context, we have shown

Evidence of native α-synuclein conformers in the human brain.

Science.gov (United States)

Gould, Neal; Mor, Danielle E; Lightfoot, Richard; Malkus, Kristen; Giasson, Benoit; Ischiropoulos, Harry

2014-03-14

α-Synuclein aggregation is central to the pathogenesis of several brain disorders. However, the native conformations and functions of this protein in the human brain are not precisely known. The native state of α-synuclein was probed by gel filtration coupled with native gradient gel separation, an array of antibodies with non-overlapping epitopes, and mass spectrometry. The existence of metastable conformers and stable monomer was revealed in the human brain.

Brownian dynamics simulation of the cross-talking effect among modified histones on conformations of nucleosomes

Science.gov (United States)

Duan, Zhao-Wen; Li, Wei; Xie, Ping; Dou, Shuo-Xing; Wang, Peng-Ye

2010-04-01

Using Brownian dynamics simulation, we studied the effect of histone modifications on conformations of an array of nucleosomes in a segment of chromatin. The simulation demonstrated that the segment of chromatin shows the dynamic behaviour that its conformation can switch between a state with nearly all of the histones being wrapped by DNA and a state with nearly all of the histones being unwrapped by DNA, thus involving the “cross-talking" interactions among the histones. Each state can stay for a sufficiently long time. These conformational states are essential for gene expression or gene silence. The simulation also shows that these conformational states can be inherited by the daughter DNAs during DNA replication, giving a theoretical explanation of the epigenetic phenomenon.

Selection of conformational states in self-assembled surface structures formed from an oligo(naphthylene-ethynylene) 3-bit binary switch

DEFF Research Database (Denmark)

Ning, Yanxiao; Cramer, Jacob Roland; Nuermaimaiti, Ajiguli

2015-01-01

). The conformations result from binary positions of n = 3 naphtalene units on a linear oligo(naphthylene-ethynylene) backbone. On Au(111), inter-molecular interactions involving carboxyl and bulky tert-butyl-phenyl functional groups induce the molecules to form two ordered phases with brick-wall and lamella structure...... conformational states. Together these observations imply selection and adaptation of conformational states upon molecular self-assembly. From DFT modeling and statistical analysis of the molecular conformations, the observed selection of conformational states is attributed to steric interaction between...

Spectroscopic identification of ethanol-water conformers by large-amplitude hydrogen bond librational modes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, J.; Larsen, René Wugt

2015-01-01

⋯HO hydrogen bond acceptor in the two most stable conformations. In the most stable conformation, the water subunit forces the ethanol molecule into its less stable gauche configuration upon dimerization owing to a cooperative secondary weak O⋯HC hydrogen bondinteraction evidenced by a significantly blue......-shift of the low-frequency in-plane donor OH librational band origin. The strong correlation between the low-frequency in-plane donor OH librational motion and the secondary intermolecular O⋯HC hydrogen bond is demonstrated by electronic structure calculations. The experimental findings are further supported...... by CCSD(T)-F12/aug-cc-pVQZ calculations of the conformationalenergy differences together with second-order vibrational perturbation theory calculations of the large-amplitude donor OH librational band origins....

A nonlinear plasmonic resonator for three-state all-optical switching

KAUST Repository

Amin, Muhammad

2014-01-01

A nonlinear plasmonic resonator design is proposed for three-state all-optical switching at frequencies including near infrared and lower red parts of the spectrum. The tri-stable response required for three-state operation is obtained by enhancing nonlinearities of a Kerr medium through multiple (higher order) plasmons excited on resonator\\'s metallic surfaces. Indeed, simulations demonstrate that exploitation of multiple plasmons equips the proposed resonator with a multi-band tri-stable response, which cannot be obtained using existing nonlinear plasmonic devices that make use of single mode Lorentzian resonances. Multi-band three-state optical switching that can be realized using the proposed resonator has potential applications in optical communications and computing. © 2014 Optical Society of America.

A nonlinear plasmonic resonator for three-state all-optical switching

KAUST Repository

Amin, Muhammad; Farhat, Mohamed; Bagci, Hakan

2014-01-01

A nonlinear plasmonic resonator design is proposed for three-state all-optical switching at frequencies including near infrared and lower red parts of the spectrum. The tri-stable response required for three-state operation is obtained by enhancing nonlinearities of a Kerr medium through multiple (higher order) plasmons excited on resonator's metallic surfaces. Indeed, simulations demonstrate that exploitation of multiple plasmons equips the proposed resonator with a multi-band tri-stable response, which cannot be obtained using existing nonlinear plasmonic devices that make use of single mode Lorentzian resonances. Multi-band three-state optical switching that can be realized using the proposed resonator has potential applications in optical communications and computing. © 2014 Optical Society of America.

Conformational kinetics of aliphatic tails

Science.gov (United States)

Ferrarini, Alberta; Moro, Giorgio; Nordio, Pier Luigi

The master equation describing the random walk between sites identified with the stable conformers of a chain molecule, represents the extension to the time domain of the Rotational Isomeric State model. The asymptotic analysis of the multidimensional diffusion equation in the continuous torsional variables subjected to the configurational potential, provides a rigorous justification for the discrete models, and it supplies, without resorting to phenomenological parameters, molecular definitions of the kinetic rates for the conformational transitions occurring at each segment of the chain. The coupling between the torsional variables is fully taken into account, giving rise to cooperative effects. A complete calculation of the specific correlation functions which describe the time evolution of the angular functions probed by N.M.R. and dielectric relaxation measurements, has been performed for alkyl chains attached to a massive core. The resulting behaviour has been compared with the decay of trans and gauche populations of specific bonds, expressed in terms of suitable correlation functions whose time integrals lead quite naturally to the definition of effective kinetic constants for the conformational transitions.

Conformal Nets II: Conformal Blocks

Science.gov (United States)

Bartels, Arthur; Douglas, Christopher L.; Henriques, André

2017-08-01

Conformal nets provide a mathematical formalism for conformal field theory. Associated to a conformal net with finite index, we give a construction of the `bundle of conformal blocks', a representation of the mapping class groupoid of closed topological surfaces into the category of finite-dimensional projective Hilbert spaces. We also construct infinite-dimensional spaces of conformal blocks for topological surfaces with smooth boundary. We prove that the conformal blocks satisfy a factorization formula for gluing surfaces along circles, and an analogous formula for gluing surfaces along intervals. We use this interval factorization property to give a new proof of the modularity of the category of representations of a conformal net.

mPW1PW91 Calculated Conformational Study of Calix[n]arene (n = 4,5,6): Hydrogen Bond

International Nuclear Information System (INIS)

Kim, Kwang Ho; Choe, Jong In

2009-01-01

We have performed mPW1PW91 calculations to investigate the conformational characteristics and hydrogen bonds of p-tert-butylcalix[4]arene, p-tert-butylcalix[5]arene, calix[6]arene and p-tertbutylcalix[ 6]arene. The structures of the different conformers of 1-3 were optimized by using mPW1PW91/ 6-31+G(d,p) method. The relative stability of the four conformers of 1 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The relative stability of the conformers of 2 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of the various conformers of 3 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) ∼ 1,2-alternate ∼ 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of the various conformers of 4 were optimized by using the mPW1PW91/6-31G(d,p) method followed by single point calculation of mPW1PW91/6-31+G(d,p). The relative stability of the conformers of 4 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate ∼ partial-cone > 1,2,3-alternate > 1,3,5-alternate > 1,3-alternate

Research on IGBT solid state switch

CERN Document Server

Gan Kong Yin; Wang Xiao Feng; Wang Lang Ping; Wang Song Yan; Chu, P K; Wu Hong Chen

2002-01-01

The experiments on the IGBT solid state switch for induction accelerator was carried out with two series 1.2 kV, 75 A IGBT (GA75TS120U). The static and dynamic balancing modules were carried out with metal oxide varistors, capacities and diodes in order to suppress the over-voltage during IGBT on and off. Experimental results show that IGBT solid state switch works very stable under the different conditions. It can output peak voltage 1.8 kV, rise time 300 ns, fall time 1.64 mu s waveforms on the loads. The simulation data using OrCAD are in accord with experimental results except the rise time

Research on IGBT solid state switch

International Nuclear Information System (INIS)

Gan Kongyin; Tang Baoyin; Wang Xiaofeng; Wang Langping; Wang Songyan; Wu Hongchen

2002-01-01

The experiments on the IGBT solid state switch for induction accelerator was carried out with two series 1.2 kV, 75 A IGBT (GA75TS120U). The static and dynamic balancing modules were carried out with metal oxide varistors, capacities and diodes in order to suppress the over-voltage during IGBT on and off. Experimental results show that IGBT solid state switch works very stable under the different conditions. It can output peak voltage 1.8 kV, rise time 300 ns, fall time 1.64 μs waveforms on the loads. The simulation data using OrCAD are in accord with experimental results except the rise time

Hot Conformal Gauge Theories

DEFF Research Database (Denmark)

Mojaza, Matin; Pica, Claudio; Sannino, Francesco

2010-01-01

of flavors. Surprisingly this number, if computed to the order g^2, agrees with previous predictions for the lower boundary of the conformal window for nonsupersymmetric gauge theories. The higher order results tend to predict a higher number of critical flavors. These are universal properties, i......We compute the nonzero temperature free energy up to the order g^6 \\ln(1/g) in the coupling constant for vector like SU(N) gauge theories featuring matter transforming according to different representations of the underlying gauge group. The number of matter fields, i.e. flavors, is arranged...... in such a way that the theory develops a perturbative stable infrared fixed point at zero temperature. Due to large distance conformality we trade the coupling constant with its fixed point value and define a reduced free energy which depends only on the number of flavors, colors and matter representation. We...

Dynamics of the conformal factor in 4D gravity

International Nuclear Information System (INIS)

Antoniadis, I.

1993-01-01

We argue that 4D gravity is drastically modified at distances larger than the horizon scale, due to the large infrared quantum fluctuations of the conformal part of the metric. The infrared dynamics of the conformal factor is generated by an effective action, induced by the trace anomaly of matter in curved space, analogous to the Polyakov action in two dimensions. The resulting effective scalar theory is renormalizable, and possesses a non-trivial, infrared stable fixed point, characterized by an anomalous scaling dimension of the conformal factor. We argue that this theory describes a large distance scale invariant phase of 4D gravity and provides a framework for a dynamical solution of the cosmological constant problem (author). 12 refs

Synthesis of Conformal Phased Antenna Arrays With A Novel Multiobjective Invasive Weed Optimization Algorithm

Science.gov (United States)

Li, Wen Tao; Hei, Yong Qiang; Shi, Xiao Wei

2018-04-01

By virtue of the excellent aerodynamic performances, conformal phased arrays have been attracting considerable attention. However, for the synthesis of patterns with low/ultra-low sidelobes of the conventional conformal arrays, the obtained dynamic range ratios of amplitude excitations could be quite high, which results in stringent requirements on various error tolerances for practical implementation. Time-modulated array (TMA) has the advantages of low sidelobe and reduced dynamic range ratio requirement of amplitude excitations. This paper takes full advantages of conformal antenna arrays and time-modulated arrays. The active-element-pattern, including element mutual coupling and platform effects, is employed in the whole design process. To optimize the pulse durations and the switch-on instants of the time-modulated elements, multiobjective invasive weed optimization (MOIWO) algorithm based on the nondominated sorting of the solutions is proposed. A S-band 8-element cylindrical conformal array is designed and a S-band 16-element cylindrical-parabolic conformal array is constructed and tested at two different steering angles.

Brownian dynamics simulation of the cross-talking effect among modified histones on conformations of nucleosomes

International Nuclear Information System (INIS)

Zhao-Wen, Duan; Wei, Li; Ping, Xie; Shuo-Xing, Dou; Peng-Ye, Wang

2010-01-01

Using Brownian dynamics simulation, we studied the effect of histone modifications on conformations of an array of nucleosomes in a segment of chromatin. The simulation demonstrated that the segment of chromatin shows the dynamic behaviour that its conformation can switch between a state with nearly all of the histones being wrapped by DNA and a state with nearly all of the histones being unwrapped by DNA, thus involving the “cross-talking” interactions among the histones. Each state can stay for a sufficiently long time. These conformational states are essential for gene expression or gene silence. The simulation also shows that these conformational states can be inherited by the daughter DNAs during DNA replication, giving a theoretical explanation of the epigenetic phenomenon. (cross-disciplinary physics and related areas of science and technology)

Effect of supercoiling on the λ switch

DEFF Research Database (Denmark)

Norregaard, Kamilla; Andersson, Magnus; Sneppen, Kim

2014-01-01

The lysogenic state of the λ switch is exceptionally stable, still, it is capable of responding to DNA-damage and rapidly enter the lytic state. We invented an assay where PNA mediated tethering of a plasmid allowed for single molecule investigations of the effect of supercoiling on the efficiency...

Conformational reduction of DOPA in the gas phase studied by laser desorption supersonic jet laser spectroscopy.

Science.gov (United States)

Ishiuchi, Shun-ichi; Mitsuda, Haruhiko; Asakawa, Toshiro; Miyazaki, Mitsuhiko; Fujii, Masaaki

2011-05-07

The conformational reduction in catecholamine neurotransmitters was studied by resonance enhanced multi photon ionization (REMPI), ultraviolet-ultraviolet (UV-UV) hole burning and infrared (IR) dip spectroscopy with applying a laser desorption supersonic jet technique to DOPA, which is one of the catecholamine neurotransmitters and has one more phenolic OH group than tyrosine. It is concluded that DOPA has a single observable conformer in the gas phase at low temperature. Quantum chemical calculations at several levels with or without the dispersion correction were also carried out to study stable conformations. From the comparison between the computational IR spectra and the experimental ones, the most stable structure was determined. It is strongly suggested that the conformational reduction is caused by electrostatic interactions, such as a dipole-dipole interaction, between the chain and OH groups. This journal is © the Owner Societies 2011

Conformal Phase Diagram of Complete Asymptotically Free Theories

DEFF Research Database (Denmark)

Pica, Claudio; Ryttov, Thomas A.; Sannino, Francesco

2017-01-01

function. We provide the general conditions that the beta function coefficients must abide for the theory to be completely asymptotically free while simultaneously possessing an infrared stable fixed point. We also uncover special trajectories in coupling space along which some couplings are both...... asymptotically safe and infrared conformal....

Conformal displays: human factor analysis of innovative landing aids

Science.gov (United States)

Schmerwitz, Sven; Lueken, Thomas; Doehler, Hans-Ullrich; Peinecke, Niklas; Ernst, Johannes M.; da Silva Rosa, David L.

2017-05-01

In the past couple of years, research on display content for helicopter operations headed in a new direction. The already reached goals could evolve into a paradigm change for information visualization. Technology advancements allow implementing three-dimensional and conformal content on a helmet-mounted see-through device. This superimposed imagery inherits the same optical flow as the environment. It is supposed to ease switching between display information and environmental cues. The concept is neither pathbreaking nor new, but it has not been successfully established in aviation yet. Nevertheless, there are certainly some advantages to expect-at least from perspective of a human-centered system design. Within the following pages, the next generation displays will be presented and discussed with a focus on human factors. Beginning with recalling some human factor related research facts, an experiment comparing the former two-dimensional research displays will be presented. Before introducing the DLR conformal symbol set and the three experiments about an innovative drift, indication related research activities toward conformal symbol sets will be addressed.

Wireless Chalcogenide Nanoionic-Based Radio-Frequency Switch

Science.gov (United States)

Nessel, James; Miranda, Felix

2013-01-01

A new nonvolatile nanoionic switch is powered and controlled through wireless radio-frequency (RF) transmission. A thin layer of chalcogenide glass doped with a metal ion, such as silver, comprises the operational portion of the switch. For the switch to function, an oxidizable electrode is made positive (anode) with respect to an opposing electrode (cathode) when sufficient bias, typically on the order of a few tenths of a volt or more, is applied. This action causes the metal ions to flow toward the cathode through a coordinated hopping mechanism. At the cathode, a reduction reaction occurs to form a metal deposit. This metal deposit creates a conductive path that bridges the gap between electrodes to turn the switch on. Once this conductive path is formed, no further power is required to maintain it. To reverse this process, the metal deposit is made positive with respect to the original oxidizable electrode, causing the dissolution of the metal bridge thereby turning the switch off. Once the metal deposit has been completely dissolved, the process self-terminates. This switching process features the following attributes. It requires very little to change states (i.e., on and off). Furthermore, no power is required to maintain the states; hence, the state of the switch is nonvolatile. Because of these attributes the integration of a rectenna to provide the necessary power and control is unique to this embodiment. A rectenna, or rectifying antenna, generates DC power from an incident RF signal. The low voltages and power required for the nanoionic switch control are easily generated from this system and provide the switch with a novel capability to be operated and powered from an external wireless device. In one realization, an RF signal of a specific frequency can be used to set the switch into an off state, while another frequency can be used to set the switch to an on state. The wireless, miniaturized, and nomoving- part features of this switch make it

A theoretical and spectroscopic study of conformational structures of piroxicam

Science.gov (United States)

Souza, Kely Ferreira de; Martins, José A.; Pessine, Francisco B. T.; Custodio, Rogério

2010-02-01

Piroxicam (PRX) has been widely studied in an attempt to elucidate the causes and mechanisms of its side effects, mainly the photo-toxicity. In this paper fluorescence spectra in non-protic solvents and different polarities were carried out along with theoretical calculations. Preliminary potential surfaces of the keto and enol forms were obtained at AM1 level of theory providing the most stable conformers, which had their structure re-optimized through the B3LYP/CEP-31G(d,p) method. From the optimized structures, the electronic spectra were calculated using the TD-DFT method in vacuum and including the solvent effect through the PCM method and a single water molecule near PRX. A new potential surface was constructed to the enol tautomer at DFT level and the most stable conformers were submitted to the QST2 calculations. The experimental data showed that in apolar media, the solution fluorescence is raised. Based on conformational analysis for the two tautomers, keto and enol, the results indicated that the PRX-enol is the main tautomer related to the drug fluorescence, which is reinforced by the spectra results, as well as the interconvertion barrier obtained from the QST2 calculations. The results suggest that the PRX one of the enol conformers presents great possibility of involvement in the photo-toxicity mechanisms.

Complete achromatic and robustness electro-optic switch between two integrated optical waveguides

Science.gov (United States)

Huang, Wei; Kyoseva, Elica

2018-01-01

In this paper, we present a novel design of electro-optic modulator and optical switching device, based on current integrated optics technique. The advantages of our optical switching device are broadband of input light wavelength, robustness against varying device length and operation voltages, with reference to previous design. Conforming to our results of previous paper [Huang et al, phys. lett. a, 90, 053837], the coupling of the waveguides has a hyperbolic-secant shape. while detuning has a sign flip at maximum coupling, we called it as with a sign flip of phase mismatch model. The a sign flip of phase mismatch model can produce complete robust population transfer. In this paper, we enhance this device to switch light intensity controllable, by tuning external electric field based on electro-optic effect.

A graphene integrated highly transparent resistive switching memory device

Science.gov (United States)

Dugu, Sita; Pavunny, Shojan P.; Limbu, Tej B.; Weiner, Brad R.; Morell, Gerardo; Katiyar, Ram S.

2018-05-01

We demonstrate the hybrid fabrication process of a graphene integrated highly transparent resistive random-access memory (TRRAM) device. The indium tin oxide (ITO)/Al2O3/graphene nonvolatile memory device possesses a high transmittance of >82% in the visible region (370-700 nm) and exhibits stable and non-symmetrical bipolar switching characteristics with considerably low set and reset voltages (ITO/Al2O3/Pt device and studied its switching characteristics for comparison and a better understanding of the ITO/Al2O3/graphene device characteristics. The conduction mechanisms in high and low resistance states were analyzed, and the observed polarity dependent resistive switching is explained based on electro-migration of oxygen ions.

Variable-temperature NMR and conformational analysis of Oenothein B

International Nuclear Information System (INIS)

Santos, Suzana C.; Carvalho, Ariadne G.; Fortes, Gilmara A.C.; Ferri, Pedro H.; Oliveira, Anselmo E. de

2014-01-01

Oenothein B is a dimeric hydrolyzable tannin with a wide range of biological activities, such as antitumour, anti-inflammatory and antiviral. Its nuclear magnetic resonance (NMR) at room temperature show duplications and broadening of signals. Experiments of 1D and 2D NMR at lower temperatures were useful for the complete NMR assignments of all hydrogens and carbons. The 3D structure of the most stable conformer was determined for the first time by nuclear Overhauser effect spectroscopy (NOESY) experiment (-20 deg C) and density functional theory (DFT)(B3LYP/6-31G)/ polarizable continuum model (PCM) quantum chemical calculations. The favoured conformation showed a highly compacted geometry and a lack of symmetry, in which the two valoneoyl groups showed distinct conformational parameters and stabilities. (author)

Variable-temperature NMR and conformational analysis of Oenothein B

Energy Technology Data Exchange (ETDEWEB)

Santos, Suzana C.; Carvalho, Ariadne G.; Fortes, Gilmara A.C.; Ferri, Pedro H.; Oliveira, Anselmo E. de, [Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Instituto de Quimica

2014-02-15

Oenothein B is a dimeric hydrolyzable tannin with a wide range of biological activities, such as antitumour, anti-inflammatory and antiviral. Its nuclear magnetic resonance (NMR) at room temperature show duplications and broadening of signals. Experiments of 1D and 2D NMR at lower temperatures were useful for the complete NMR assignments of all hydrogens and carbons. The 3D structure of the most stable conformer was determined for the first time by nuclear Overhauser effect spectroscopy (NOESY) experiment (-20 deg C) and density functional theory (DFT)(B3LYP/6-31G)/ polarizable continuum model (PCM) quantum chemical calculations. The favoured conformation showed a highly compacted geometry and a lack of symmetry, in which the two valoneoyl groups showed distinct conformational parameters and stabilities. (author)

On the asymptotic stability of nonlinear mechanical switched systems

Science.gov (United States)

Platonov, A. V.

2018-05-01

Some classes of switched mechanical systems with dissipative and potential forces are considered. The case, where either dissipative or potential forces are essentially nonlinear, is studied. It is assumed that the zero equilibrium position of the system is asymptotically stable at least for one operating mode. We will look for sufficient conditions which guarantee the preservation of asymptotic stability of the equilibrium position under the switching of modes. The Lyapunov direct method is used. A Lyapunov function for considered system is constructed, which satisfies the differential inequality of special form for every operating mode. This inequality is nonlinear for the chosen mode with asymptotically stable equilibrium position, and it is linear for the rest modes. The correlations between the intervals of activity of the pointed mode and the intervals of activity of the rest modes are obtained which guarantee the required properties.

Speed control of an induction motor by 6-switched 3-level inverter

Directory of Open Access Journals (Sweden)

Saygin Ali

2017-12-01

Full Text Available This paper presents speed control analysis of an induction motor by a 6-switched 3-level inverter. In the analysis of topology, the study used the field oriented control technique which is widely used in the literature, easy and stable for operating systems. The field weaking technique was used for speeds exceeding nominal speed to reduce magnetic saturation and thermal losses. At the end of the process, it was observed to increase motor torque and inverter efficiency. Instead of using 12 switches in conventional 3-level inverters, 6 switches are used in this topology. Reduced number of switches is the greatest contribution of this study.

Speed control of an induction motor by 6-switched 3-level inverter

Science.gov (United States)

Saygin, Ali; Kerem, Alper

2017-12-01

This paper presents speed control analysis of an induction motor by a 6-switched 3-level inverter. In the analysis of topology, the study used the field oriented control technique which is widely used in the literature, easy and stable for operating systems. The field weaking technique was used for speeds exceeding nominal speed to reduce magnetic saturation and thermal losses. At the end of the process, it was observed to increase motor torque and inverter efficiency. Instead of using 12 switches in conventional 3-level inverters, 6 switches are used in this topology. Reduced number of switches is the greatest contribution of this study.

Hydrogen abstraction from n-butanol by the methyl radical: high level ab initio study of abstraction pathways and the importance of low energy rotational conformers.

Science.gov (United States)

Katsikadakos, D; Hardalupas, Y; Taylor, A M K P; Hunt, P A

2012-07-21

Hydrogen abstraction reactions by the methyl radical from n-butanol have been investigated at the ROCBS-QB3 level of theory. Reaction energies and product geometries for the most stable conformer of n-butanol (ROH) have been computed, the reaction energies order α channel more stable than the β-channel? Why do the two C(γ)-H H-abstraction TS differ in energy? The method and basis set dependence of the TS barriers is investigated. The Boltzmann probability distribution for the n-butanol conformers suggests that low energy conformers are present in approximately equal proportions to the most stable conformer at combustion temperatures where ĊH(3) radicals are present. Thus, the relative significance of the various H-abstraction channels has been assessed for a selection of higher energy conformers (ROH'). Key results include finding that higher energy n-butanol conformers (E(ROH') > E(ROH)) can generate lower energy product radicals, E(ROH') < E(ROH). Moreover, higher energy conformers can also have a globally competitive TS energy for H-abstraction.

Additional conformer observed in the microwave spectrum of methyl vinyl ketone

Science.gov (United States)

Wilcox, David S.; Shirar, Amanda J.; Williams, Owen L.; Dian, Brian C.

2011-05-01

A chirped-pulse Fourier transform microwave spectrometer was used to record the rotational spectrum of methyl vinyl ketone (MVK, 3-butene-2-one). Two stable conformations were identified: the previously documented antiperiplanar (ap) conformer and synperiplanar (sp), which is reported for the first time in this microwave study. Methyl torsional analysis resulted in V3 barrier heights of 433.8(1) and 376.6(2) cm-1 for ap- and sp-MVK, respectively. Heavy atom isotopic species of both conformers were detected in natural abundance allowing bond lengths and angles of the molecular frames to be calculated through Kraitchman analysis. A comparison with ab initio calculations is included.

Epigenetic dominance of prion conformers.

Directory of Open Access Journals (Sweden)

Eri Saijo

2013-10-01

Full Text Available Although they share certain biological properties with nucleic acid based infectious agents, prions, the causative agents of invariably fatal, transmissible neurodegenerative disorders such as bovine spongiform encephalopathy, sheep scrapie, and human Creutzfeldt Jakob disease, propagate by conformational templating of host encoded proteins. Once thought to be unique to these diseases, this mechanism is now recognized as a ubiquitous means of information transfer in biological systems, including other protein misfolding disorders such as those causing Alzheimer's and Parkinson's diseases. To address the poorly understood mechanism by which host prion protein (PrP primary structures interact with distinct prion conformations to influence pathogenesis, we produced transgenic (Tg mice expressing different sheep scrapie susceptibility alleles, varying only at a single amino acid at PrP residue 136. Tg mice expressing ovine PrP with alanine (A at (OvPrP-A136 infected with SSBP/1 scrapie prions propagated a relatively stable (S prion conformation, which accumulated as punctate aggregates in the brain, and produced prolonged incubation times. In contrast, Tg mice expressing OvPrP with valine (V at 136 (OvPrP-V136 infected with the same prions developed disease rapidly, and the converted prion was comprised of an unstable (U, diffusely distributed conformer. Infected Tg mice co-expressing both alleles manifested properties consistent with the U conformer, suggesting a dominant effect resulting from exclusive conversion of OvPrP-V136 but not OvPrP-A136. Surprisingly, however, studies with monoclonal antibody (mAb PRC5, which discriminates OvPrP-A136 from OvPrP-V136, revealed substantial conversion of OvPrP-A136. Moreover, the resulting OvPrP-A136 prion acquired the characteristics of the U conformer. These results, substantiated by in vitro analyses, indicated that co-expression of OvPrP-V136 altered the conversion potential of OvPrP-A136 from the S to

A method for determining the actual rate of orientation switching of DNA self-assembled monolayers using optical and electrochemical frequency response analysis.

Science.gov (United States)

Casanova-Moreno, J; Bizzotto, D

2015-02-17

Electrostatic control of the orientation of fluorophore-labeled DNA strands immobilized on an electrode surface has been shown to be an effective bioanalytical tool. Modulation techniques and later time-resolved measurements were used to evaluate the kinetics of the switching between lying and standing DNA conformations. These measurements, however, are the result of a convolution between the DNA "switching" response time and the other frequency limited responses in the measurement. In this work, a method for analyzing the response of a potential driven DNA sensor is presented by calculating the potential effectively dropped across the electrode interface (using electrochemical impedance spectroscopy) as opposed to the potential applied to the electrochemical cell. This effectively deconvolutes the effect of the charging time on the observed frequency response. The corrected response shows that DNA is able to switch conformation faster than previously reported using modulation techniques. This approach will ensure accurate measurements independent of the electrochemical system, removing the uncertainty in the analysis of the switching response, enabling comparison between samples and measurement systems.

Multi-Valued Spin Switch in a Semiconductor Microcavity

Science.gov (United States)

Paraïso, T. K.; Wouters, M.; Léger, Y.; Morier-Genoud, F.; Deveaudhyphen; Plédran, B.

2011-12-01

In this work, we report on the first realization of multi-valued spin switching in the solid-state. We investigate the physics of spinor bistability with microcavity polaritons in a trap. Spinor interactions lead to special bistability regimes with decoupled thresholds for spin-up and spin-down polaritons. This allows us to establish state-of-the-art spin switching operations. We evidence polarization hysteresis and determine appropriate conditions to achieve spin multistability. For a given excitation condition, three stable spin states coexist for the system. These results open new pathways for the development of innovative spin-based logic gates and memory devices.

Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition

Energy Technology Data Exchange (ETDEWEB)

Holzapfel, Genevieve; Buhrman, Greg; Mattos, Carla (NCSU)

2012-08-31

Ras GTPase cycles between its active GTP-bound form promoted by GEFs and its inactive GDP-bound form promoted by GAPs to affect the control of various cellular functions. It is becoming increasingly apparent that subtle regulation of the GTP-bound active state may occur through promotion of substates mediated by an allosteric switch mechanism that induces a disorder to order transition in switch II upon ligand binding at an allosteric site. We show with high-resolution structures that calcium acetate and either dithioerythritol (DTE) or dithiothreitol (DTT) soaked into H-Ras-GppNHp crystals in the presence of a moderate amount of poly(ethylene glycol) (PEG) can selectively shift the equilibrium to the 'on' state, where the active site appears to be poised for catalysis (calcium acetate), or to what we call the 'ordered off' state, which is associated with an anticatalytic conformation (DTE or DTT). We also show that the equilibrium is reversible in our crystals and dependent on the nature of the small molecule present. Calcium acetate binding in the allosteric site stabilizes the conformation observed in the H-Ras-GppNHp/NOR1A complex, and PEG, DTE, and DTT stabilize the anticatalytic conformation observed in the complex between the Ras homologue Ran and Importin-{beta}. The small molecules are therefore selecting biologically relevant conformations in the crystal that are sampled by the disordered switch II in the uncomplexed GTP-bound form of H-Ras. In the presence of a large amount of PEG, the ordered off conformation predominates, whereas in solution, in the absence of PEG, switch regions appear to remain disordered in what we call the off state, unable to bind DTE.

Passive synchronized Q-switching between a quasi-three-level and a four-level laser

DEFF Research Database (Denmark)

Cheng, Haynes Pak Hay; Tidemand-Lichtenberg, Peter; Jensen, Ole Bjarlin

2011-01-01

Synchronized Q-switching between quasi-three-level and four-level lasers is interesting for sum-frequency generation into the blue and ultraviolet. We report, for the first time, stable synchronized Q-switching between a quasi-three-level laser at 946 nm and a four-level laser at 1064 nm in an all...

Conformational analysis and vibrational studies of ethylenediamine-d4, using DFT method

International Nuclear Information System (INIS)

Catikkas, B.

2010-01-01

In this work, conformational analysis and quantum chemical calculations of ethylenediamine-d4 were carried out. The geometry optimization and the geometric parameters (bond length, bond angle and tortion angle) were calculated. The Infrared and Raman frequencies of fundamental modes of the most stable conformer were determined. Calculations were carried out by using the MPW1PW91/6-311+G(d,p) method and Gaussian03 and GaussView3.0 programs. Populations of the conformers was calculated. Vibrational assignments of the title molecule were calculated by using Scaled Quantum Mechanical (SQM) analysis. Calculated values were compared with the experimental ones.

Quality of life and patient satisfaction in patients with atrial fibrillation on stable vitamin K antagonist treatment or switched to a non-vitamin K antagonist oral anticoagulant during a 1-year follow-up: A PREFER in AF Registry substudy.

Science.gov (United States)

De Caterina, Raffaele; Brüggenjürgen, Bernd; Darius, Harald; Köhler, Sabine; Lucerna, Markus; Pecen, Ladislav; Renda, Giulia; Schilling, Richard John; Schliephacke, Tessa; Zamorano, José Luis; Le Heuzey, Jean-Yves; Kirchhof, Paulus

2018-02-01

Non-vitamin K antagonist oral anticoagulants (NOACs) are being introduced for stroke prevention in non-valvular Atrial Fibrillation (AF), and promise to be accepted better than Vitamin K Antagonists (VKAs) by patients, improving their Quality of Life (QoL). To assess to what extent patient-related factors influence decisions to switch from a VKA to a NOAC. The PREFER in AF Registry collected data at baseline in 2012 - at the beginning of NOAC prescriptions - and at 1-year follow-up, in 6412 patients in seven Western European countries. QoL and patient satisfaction questionnaires (EQ-5D-5L and/or PACT-Q2) were completed in 3777 patients at both visits. Data were compared across categories of patients on stable treatment with a VKA (i.e. continuously over the previous 12 months) (n=2102) or recently switched (within 12 months) from a VKA to a NOAC (n=213) during a 1-year follow-up, allowing a snapshot of factors influencing the switch at a time when NOACs were being introduced into the market. Compared to patients on stable treatment with a VKA, switched patients were similar in terms of age, sex, body mass index and other risk factors, but had lower prevalences of hypertension and heart valve dysfunction, and a lower rate of use of concomitant treatment with antiplatelet/anti-inflammatory agents; they also had a lower CHA 2 DS 2 -VASc score. Among 25 features investigated, switched patients more often reported bruising or bleeding, complained about bruising, were dissatisfied with the anticoagulant treatment, and reported mobility problems and anxiety/depressive traits. At the beginning of NOAC prescriptions, European doctors tended to switch from VKAs to NOACs those patients at lower risk than "non-switchers". Complaints about bruising or bleeding, dissatisfaction with treatment, mobility problems and anxiety/depression traits appear to be related to - and may have influenced - the choice to switch from a VKA to a NOAC. Copyright © 2017 Elsevier Masson SAS

Fully transparent conformal organic thin-film transistor array and its application as LED front driving.

Science.gov (United States)

Cui, Nan; Ren, Hang; Tang, Qingxin; Zhao, Xiaoli; Tong, Yanhong; Hu, Wenping; Liu, Yichun

2018-02-22

A fully transparent conformal organic thin-film field-effect transistor array is demonstrated based on a photolithography-compatible ultrathin metallic grid gate electrode and a solution-processed C 8 -BTBT film. The resulting organic field-effect transistor array exhibits a high optical transparency of >80% over the visible spectrum, mobility up to 2 cm 2 V -1 s -1 , on/off ratio of 10 5 -10 6 , switching current of >0.1 mA, and excellent light stability. The transparent conformal transistor array is demonstrated to adhere well to flat and curved LEDs as front driving. These results present promising applications of the solution-processed wide-bandgap organic semiconductor thin films in future large-scale transparent conformal active-matrix displays.

Molecular switches at the synapse emerge from receptor and kinase traffic.

Directory of Open Access Journals (Sweden)

2005-07-01

Full Text Available Changes in the synaptic connection strengths between neurons are believed to play a role in memory formation. An important mechanism for changing synaptic strength is through movement of neurotransmitter receptors and regulatory proteins to and from the synapse. Several activity-triggered biochemical events control these movements. Here we use computer models to explore how these putative memory-related changes can be stabilised long after the initial trigger, and beyond the lifetime of synaptic molecules. We base our models on published biochemical data and experiments on the activity-dependent movement of a glutamate receptor, AMPAR, and a calcium-dependent kinase, CaMKII. We find that both of these molecules participate in distinct bistable switches. These simulated switches are effective for long periods despite molecular turnover and biochemical fluctuations arising from the small numbers of molecules in the synapse. The AMPAR switch arises from a novel self-recruitment process where the presence of sufficient receptors biases the receptor movement cycle to insert still more receptors into the synapse. The CaMKII switch arises from autophosphorylation of the kinase. The switches may function in a tightly coupled manner, or relatively independently. The latter case leads to multiple stable states of the synapse. We propose that similar self-recruitment cycles may be important for maintaining levels of many molecules that undergo regulated movement, and that these may lead to combinatorial possible stable states of systems like the synapse.

Photonic Switching Devices Using Light Bullets

Science.gov (United States)

Goorjian, Peter M. (Inventor)

1999-01-01

A unique ultra-fast, all-optical switching device or switch is made with readily available, relatively inexpensive, highly nonlinear optical materials. which includes highly nonlinear optical glasses, semiconductor crystals and/or multiple quantum well semiconductor materials. At the specified wavelengths. these optical materials have a sufficiently negative group velocity dispersion and high nonlinear index of refraction to support stable light bullets. The light bullets counter-propagate through, and interact within the waveguide to selectively change each others' directions of propagation into predetermined channels. In one embodiment, the switch utilizes a rectangularly planar slab waveguide. and further includes two central channels and a plurality of lateral channels for guiding the light bullets into and out of the waveguide. An advantage of the present all-optical switching device lies in its practical use of light bullets, thus preventing the degeneration of the pulses due to dispersion and diffraction at the front and back of the pulses. Another advantage of the switching device is the relative insensitivity of the collision process to the time difference in which the counter-propagating pulses enter the waveguide. since. contrary to conventional co-propagating spatial solitons, the relative phase of the colliding pulses does not affect the interaction of these pulses. Yet another feature of the present all-optical switching device is the selection of the light pulse parameters which enables the generation of light bullets in nonlinear optical materials. including highly nonlinear optical glasses and semiconductor materials such as semiconductor crystals and/or multiple quantum well semiconductor materials.

Evaluating four-loop conformal Feynman integrals by D-dimensional differential equations

Science.gov (United States)

Eden, Burkhard; Smirnov, Vladimir A.

2016-10-01

We evaluate a four-loop conformal integral, i.e. an integral over four four-dimensional coordinates, by turning to its dimensionally regularized version and applying differential equations for the set of the corresponding 213 master integrals. To solve these linear differential equations we follow the strategy suggested by Henn and switch to a uniformly transcendental basis of master integrals. We find a solution to these equations up to weight eight in terms of multiple polylogarithms. Further, we present an analytical result for the given four-loop conformal integral considered in four-dimensional space-time in terms of single-valued harmonic polylogarithms. As a by-product, we obtain analytical results for all the other 212 master integrals within dimensional regularization, i.e. considered in D dimensions.

Evaluating four-loop conformal Feynman integrals by D-dimensional differential equations

Energy Technology Data Exchange (ETDEWEB)

Eden, Burkhard [Institut für Mathematik und Physik, Humboldt-Universität zu Berlin,Zum großen Windkanal 6, 12489 Berlin (Germany); Smirnov, Vladimir A. [Skobeltsyn Institute of Nuclear Physics, Moscow State University,119992 Moscow (Russian Federation)

2016-10-21

We evaluate a four-loop conformal integral, i.e. an integral over four four-dimensional coordinates, by turning to its dimensionally regularized version and applying differential equations for the set of the corresponding 213 master integrals. To solve these linear differential equations we follow the strategy suggested by Henn and switch to a uniformly transcendental basis of master integrals. We find a solution to these equations up to weight eight in terms of multiple polylogarithms. Further, we present an analytical result for the given four-loop conformal integral considered in four-dimensional space-time in terms of single-valued harmonic polylogarithms. As a by-product, we obtain analytical results for all the other 212 master integrals within dimensional regularization, i.e. considered in D dimensions.

Molecular dynamic simulation reveals damaging impact of RAC1 F28L mutation in the switch I region.

Directory of Open Access Journals (Sweden)

Ambuj Kumar

Full Text Available Ras-related C3 botulinum toxin substrate 1 (RAC1 is a plasma membrane-associated small GTPase which cycles between the active GTP-bound and inactive GDP-bound states. There is wide range of evidences indicating its active participation in inducing cancer-associated phenotypes. RAC1 F28L mutation (RAC(F28L is a fast recycling mutation which has been implicated in several cancer associated cases. In this work we have performed molecular docking and molecular dynamics simulation (~0.3 μs to investigate the conformational changes occurring in the mutant protein. The RMSD, RMSF and NHbonds results strongly suggested that the loss of native conformation in the Switch I region in RAC1 mutant protein could be the reason behind its oncogenic transformation. The overall results suggested that the mutant protein attained compact conformation as compared to the native. The major impact of mutation was observed in the Switch I region which might be the crucial reason behind the loss of interaction between the guanine ring and F28 residue.

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices

Science.gov (United States)

Galak, Jeff; Gray, Kurt; Elbert, Igor; Strohminger, Nina

2016-01-01

How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women’s shoes (16,236 transactions) across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size) when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context. PMID:27144595

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices.

Directory of Open Access Journals (Sweden)

Jeff Galak

Full Text Available How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women's shoes (16,236 transactions across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context.

Trickle-Down Preferences: Preferential Conformity to High Status Peers in Fashion Choices.

Science.gov (United States)

Galak, Jeff; Gray, Kurt; Elbert, Igor; Strohminger, Nina

2016-01-01

How much do our choices represent stable inner preferences versus social conformity? We examine conformity and consistency in sartorial choices surrounding a common life event of new norm exposure: relocation. A large-scale dataset of individual purchases of women's shoes (16,236 transactions) across five years and 2,007 women reveals a balance of conformity and consistency, moderated by changes in location socioeconomic status. Women conform to new local norms (i.e., average heel size) when moving to relatively higher status locations, but mostly ignore new local norms when moving to relatively lower status locations. In short, at periods of transition, it is the fashion norms of the rich that trickle down to consumers. These analyses provide the first naturalistic large-scale demonstration of the tension between psychological conformity and consistency, with real decisions in a highly visible context.

Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations

OpenAIRE

Gómez-Zavaglia, Andrea; Fausto, R.

2003-01-01

Sarcosine (N-methylglycine) has been studied by matrix-isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d, p) and 6-31++G(d, p) basis set, respectively. Eleven different conformers were located in the potential energy surface (PES) of sarcosine, with the ASC conformer being the ground conformational state. This form is analogous to the glycine most stable conformer and is characterized by a NH...O= intramole...

Conformational Fluctuations in G-Protein-Coupled Receptors

Science.gov (United States)

Brown, Michael F.

2014-03-01

G-protein-coupled receptors (GPCRs) comprise almost 50% of pharmaceutical drug targets, where rhodopsin is an important prototype and occurs naturally in a lipid membrane. Rhodopsin photoactivation entails 11-cis to all-trans isomerization of the retinal cofactor, yielding an equilibrium between inactive Meta-I and active Meta-II states. Two important questions are: (1) Is rhodopsin is a simple two-state switch? Or (2) does isomerization of retinal unlock an activated conformational ensemble? For an ensemble-based activation mechanism (EAM) a role for conformational fluctuations is clearly indicated. Solid-state NMR data together with theoretical molecular dynamics (MD) simulations detect increased local mobility of retinal after light activation. Resultant changes in local dynamics of the cofactor initiate large-scale fluctuations of transmembrane helices that expose recognition sites for the signal-transducing G-protein. Time-resolved FTIR studies and electronic spectroscopy further show the conformational ensemble is strongly biased by the membrane lipid composition, as well as pH and osmotic pressure. A new flexible surface model (FSM) describes how the curvature stress field of the membrane governs the energetics of active rhodopsin, due to the spontaneous monolayer curvature of the lipids. Furthermore, influences of osmotic pressure dictate that a large number of bulk water molecules are implicated in rhodopsin activation. Around 60 bulk water molecules activate rhodopsin, which is much larger than the number of structural waters seen in X-ray crystallography, or inferred from studies of bulk hydrostatic pressure. Conformational selection and promoting vibrational motions of rhodopsin lead to activation of the G-protein (transducin). Our biophysical data give a paradigm shift in understanding GPCR activation. The new view is: dynamics and conformational fluctuations involve an ensemble of substates that activate the cognate G-protein in the amplified visual

Multistable decision switches for flexible control of epigenetic differentiation.

Directory of Open Access Journals (Sweden)

Raúl Guantes

2008-11-01

Full Text Available It is now recognized that molecular circuits with positive feedback can induce two different gene expression states (bistability under the very same cellular conditions. Whether, and how, cells make use of the coexistence of a larger number of stable states (multistability is however largely unknown. Here, we first examine how autoregulation, a common attribute of genetic master regulators, facilitates multistability in two-component circuits. A systematic exploration of these modules' parameter space reveals two classes of molecular switches, involving transitions in bistable (progression switches or multistable (decision switches regimes. We demonstrate the potential of decision switches for multifaceted stimulus processing, including strength, duration, and flexible discrimination. These tasks enhance response specificity, help to store short-term memories of recent signaling events, stabilize transient gene expression, and enable stochastic fate commitment. The relevance of these circuits is further supported by biological data, because we find them in numerous developmental scenarios. Indeed, many of the presented information-processing features of decision switches could ultimately demonstrate a more flexible control of epigenetic differentiation.

Simulation and optimization of a polymer directional coupler electro-optic switch with push pull electrodes

Science.gov (United States)

Zheng, Chuan-Tao; Ma, Chun-Sheng; Yan, Xin; Wang, Xian-Yin; Zhang, Da-Ming

2008-07-01

Structural model and design technique are proposed for a polymer directional coupler electro-optic switch with rib waveguides and push-pull electrodes, of which the electric field distribution is analyzed by the conformal transforming method and image method. In order to get the minimum mode loss and the minimum switching voltage, the parameters of the waveguide and electrode are optimized, such as the core with, core thickness, buffer layer between the core and the electrode, coupling gap between the waveguides, electrode thickness, electrode width and electrode gap. Switching Characteristics are analyzed, which include the output power, insertion loss, and crosstalk. To realize normal switching function, the fabrication error, spectrum shift, and coupling loss between a single mode fiber (SMF) and the waveguide are discussed. Simulation results show that the coupling length is 3082 μm, push-pull switching voltage is 2.14 V, insertion loss is less than 1.17 dB, and crosstalk is less than -30 dB for the designed device.

Multichannel all–optical switch based on a thin slab of resonant two–level emitters

Directory of Open Access Journals (Sweden)

Malikov Ramil

2017-01-01

Full Text Available We discuss the possibility of using a thin layer of inhomogeneously broadened resonant emitters as a multichannel all–optical switch. Switching time from the lower stable branch of the system's bistable characteristics to the upper one and vice versa, which determines the speed of operation of a bistable device, is studied.

Stability of generic thin shells in conformally flat spacetimes

Energy Technology Data Exchange (ETDEWEB)

Amirabi, Z. [Eastern Mediterranean Univ., Gazimagusa (Turkey). Dept. of Physics

2017-07-15

Some important spacetimes are conformally flat; examples are the Robertson-Walker cosmological metric, the Einstein-de Sitter spacetime, and the Levi-Civita-Bertotti-Robinson and Mannheim metrics. In this paper we construct generic thin shells in conformally flat spacetime supported by a perfect fluid with a linear equation of state, i.e., p = ωσ. It is shown that, for the physical domain of ω, i.e., 0 < ω ≤ 1, such thin shells are not dynamically stable. The stability of the timelike thin shells with the Mannheim spacetime as the outer region is also investigated. (orig.)

Switching behavior and novel stable states of magnetic hexagonal nanorings

Energy Technology Data Exchange (ETDEWEB)

Yasir Rafique, M., E-mail: myasir.rafique@ciitlahore.edu.pk [Department of Physics, COMSATS Institute of Information Technology, Lahore 54000 (Pakistan); Pan, Liqing; Guo, Zhengang [College of Science and Research Institute for New Energy, China Three Gorges University, Yichang 443002 (China)

2017-06-15

Micromagnetic simulations for Cobalt hexagonal shape nanorings show onion (O) and vortex state (V) along with new state named “tri-domain state”. The tri-domain state is observed in sufficiently large width of ring. The magnetic reversible mechanism and transition of states are explained with help of vector field display. The transitions from one state to other occur by propagation of domain wall. The vertical parts of hexagonal rings play important role in developing the new “tri-domain” state. The behaviors of switching fields from onion to tri-domain (HO-Tr), tri-domain to vortex state (HTr-V) and vortex to onion state and “states size” are discussed in term of geometrical parameter of ring.

Self-adjusting entropy-stable scheme for compressible Euler equations

Institute of Scientific and Technical Information of China (English)

程晓晗; 聂玉峰; 封建湖; LuoXiao-Yu; 蔡力

2015-01-01

In this work, a self-adjusting entropy-stable scheme is proposed for solving compressible Euler equations. The entropy-stable scheme is constructed by combining the entropy conservative flux with a suitable diffusion operator. The entropy has to be preserved in smooth solutions and be dissipated at shocks. To achieve this, a switch function, based on entropy variables, is employed to make the numerical diffusion term added around discontinuities automatically. The resulting scheme is still entropy-stable. A number of numerical experiments illustrating the robustness and accuracy of the scheme are presented. From these numerical results, we observe a remarkable gain in accuracy.

Development of high electrical resistance persistent current switch for high speed energization system

International Nuclear Information System (INIS)

Jizo, Y.; Furuta, Y.; Nakashima, H.

1986-01-01

Japanese National Railways is now developing a superconducting magnetically-levitated train system. A persistent current switch is incorporated in the super-conducting magnet used in the magnetically-levitated train. In recent years, the switch has been required to have higher electrical resistance during its off-state in order to realize the high speed energization/de-energization system of the superconducting magnets. The system aims to decrease evaporation volume of liquid helium during the energization/de-energization of the magnet, by means of energizing the superconducting magnet with high current increasing/decreasing rate. Consequently, it would be possible to decrease the dependence of the on-board magnet system upon the ground cooling system. Through the development of a stable superconductive wire material and a coil structure for the persistent current switch using many small model switches which were produced in order to improve their current carrying capacities, the authors have succeeded in manufacturing the high electrical resistance persistent current switch whose electrical resistance was 5 ohms. The switch, of cylindrical shape, has a diameter of about 100mm, a length of about 100mm. These 5 ohm PCSs are now functioning in stable conditions being incorporated in the superconducting magnets of No.2 vehicle of MLU001 at the JNR's Miyazaki test track. Further, the authors are now developing the PCS of still higher resistance values, such as 50 ohms, through studies for stabilization in structural aspects of the winding and obtaining results therefrom

Conformational Structure of Tyrosine, Tyrosyl-Glycine, and Tyrosyl-Glycyl-Glycine by Double Resonance Spectroscopy

Science.gov (United States)

Abo-Riziq, Ali; Grace, Louis; Crews, Bridgit; Callahan, Michael P,; van Mourik, Tanja; de Vries, Mattanjah S,

2011-01-01

We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

A novel strategy for dual-channel detection of metallothioneins and mercury based on the conformational switching of functional chimera aptamer.

Science.gov (United States)

Tang, Xian; Wang, Yong-Sheng; Xue, Jin-Hua; Zhou, Bin; Cao, Jin-Xiu; Chen, Si-Han; Li, Ming-Hui; Wang, Xiao-Feng; Zhu, Yu-Feng; Huang, Yan-Qin

2015-03-25

A novel strategy for dual-channel detection of metallothioneins (MTs) and Hg(2+) has been proposed. In the absence of Hg(2+), the functional chimera aptamer (FCA) designed can form an intact G-quadruplex with flexibility, which was demonstrated to have peroxidase-like activities upon hemin binding. In the presence of Hg(2+), the formation of T-Hg(2+)-T complex results in the conformational switching of FCA, which lost the peroxidase-like activities and cannot catalyze the oxidation of ABTS by H2O2. Upon addition of MTs in this solution, MTs could interact with Hg(2+) to form a MTs-Hg(2+) complex, leading to the recovery of the G-quadruplex DNAzyme. The color and absorbance of the sensing system were also changed accordingly. In the optimizing condition, ΔA was directly proportional to the concentration ranging from 8.84 nM to 1.0 μM for Hg(2+), and 7.82 nM to 0.462 μM for MTs with the detection limits of 2.65 nM and 2.34 nM, respectively. The proposed dual-channel method avoids the label steps in common methods, and allows direct analysis of the samples without costly instruments, and is reliable, inexpensive and sensitive. Copyright © 2015 Elsevier B.V. All rights reserved.

Stable beams

CERN Multimedia

2015-01-01

Stable beams: two simple words that carry so much meaning at CERN. When LHC page one switched from "squeeze" to "stable beams" at 10.40 a.m. on Wednesday, 3 June, it triggered scenes of jubilation in control rooms around the CERN sites, as the LHC experiments started to record physics data for the first time in 27 months. This is what CERN is here for, and it’s great to be back in business after such a long period of preparation for the next stage in the LHC adventure.   I’ve said it before, but I’ll say it again. This was a great achievement, and testimony to the hard and dedicated work of so many people in the global CERN community. I could start to list the teams that have contributed, but that would be a mistake. Instead, I’d simply like to say that an achievement as impressive as running the LHC – a machine of superlatives in every respect – takes the combined effort and enthusiasm of everyone ...

Conformal field theory in conformal space

International Nuclear Information System (INIS)

Preitschopf, C.R.; Vasiliev, M.A.

1999-01-01

We present a new framework for a Lagrangian description of conformal field theories in various dimensions based on a local version of d + 2-dimensional conformal space. The results include a true gauge theory of conformal gravity in d = (1, 3) and any standard matter coupled to it. An important feature is the automatic derivation of the conformal gravity constraints, which are necessary for the analysis of the matter systems

Interface and thickness dependent domain switching and stability in Mg doped lithium niobate

Energy Technology Data Exchange (ETDEWEB)

Neumayer, Sabine M.; Rodriguez, Brian J., E-mail: gallo@kth.se, E-mail: brian.rodriguez@ucd.ie [School of Physics, University College Dublin, Belfield, Dublin 4 (Ireland); Conway Institute of Biomolecular and Biomedical Research, University College Dublin, Belfield, Dublin 4 (Ireland); Ivanov, Ilia N. [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Manzo, Michele; Gallo, Katia, E-mail: gallo@kth.se, E-mail: brian.rodriguez@ucd.ie [Department of Applied Physics, KTH-Royal Institute of Technology, Roslagstullbacken 21, 10691 Stockholm (Sweden); Kholkin, Andrei L. [Department of Physics and CICECO-Aveiro Institute of Materials, 3810-193 Aveiro (Portugal); Institute of Natural Sciences, Ural Federal University, 620000 Ekaterinburg (Russian Federation)

2015-12-14

Controlling ferroelectric switching in Mg doped lithium niobate (Mg:LN) is of fundamental importance for optical device and domain wall electronics applications that require precise domain patterns. Stable ferroelectric switching has been previously observed in undoped LN layers above proton exchanged (PE) phases that exhibit reduced polarization, whereas PE layers have been found to inhibit lateral domain growth. Here, Mg doping, which is known to significantly alter ferroelectric switching properties including coercive field and switching currents, is shown to inhibit domain nucleation and stability in Mg:LN above buried PE phases that allow for precise ferroelectric patterning via domain growth control. Furthermore, piezoresponse force microscopy (PFM) and switching spectroscopy PFM reveal that the voltage at which polarization switches from the “up” to the “down” state increases with increasing thickness in pure Mg:LN, whereas the voltage required for stable back switching to the original “up” state does not exhibit this thickness dependence. This behavior is consistent with the presence of an internal frozen defect field. The inhibition of domain nucleation above PE interfaces, observed in this study, is a phenomenon that occurs in Mg:LN but not in undoped samples and is mainly ascribed to a remaining frozen polarization in the PE phase that opposes polarization reversal. This reduced frozen depolarization field in the PE phase also influences the depolarization field of the Mg:LN layer above due to the presence of uncompensated polarization charge at the PE-Mg:LN boundary. These alterations in internal electric fields within the sample cause long-range lattice distortions in Mg:LN via electromechanical coupling, which were corroborated with complimentary Raman measurements.

Is the standard model saved asymptotically by conformal symmetry?

Science.gov (United States)

Gorsky, A.; Mironov, A.; Morozov, A.; Tomaras, T. N.

2015-03-01

It is pointed out that the top-quark and Higgs masses and the Higgs VEV with great accuracy satisfy the relations 4 m {/H 2} = 2 m {/T 2} = v 2, which are very special and reminiscent of analogous ones at Argyres-Douglas points with enhanced conformal symmetry. Furthermore, the RG evolution of the corresponding Higgs self-interaction and Yukawa couplings λ(0) = 1/8 and y(0) = 1 leads to the free-field stable point in the pure scalar sector at the Planck scale, also suggesting enhanced conformal symmetry. Thus, it is conceivable that the Standard Model is the low-energy limit of a distinct special theory with (super?) conformal symmetry at the Planck scale. In the context of such a "scenario," one may further speculate that the Higgs particle is the Goldstone boson of (partly) spontaneously broken conformal symmetry. This would simultaneously resolve the hierarchy and Landau pole problems in the scalar sector and would provide a nearly flat potential with two almost degenerate minima at the electroweak and Planck scales.

Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients

International Nuclear Information System (INIS)

Chen, Hang; Thill, Peter; Cao, Jianshu

2016-01-01

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes with the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.

Transitions in genetic toggle switches driven by dynamic disorder in rate coefficients

Energy Technology Data Exchange (ETDEWEB)

Chen, Hang, E-mail: hangchen@mit.edu; Thill, Peter; Cao, Jianshu [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2016-05-07

In biochemical systems, intrinsic noise may drive the system switch from one stable state to another. We investigate how kinetic switching between stable states in a bistable network is influenced by dynamic disorder, i.e., fluctuations in the rate coefficients. Using the geometric minimum action method, we first investigate the optimal transition paths and the corresponding minimum actions based on a genetic toggle switch model in which reaction coefficients draw from a discrete probability distribution. For the continuous probability distribution of the rate coefficient, we then consider two models of dynamic disorder in which reaction coefficients undergo different stochastic processes with the same stationary distribution. In one, the kinetic parameters follow a discrete Markov process and in the other they follow continuous Langevin dynamics. We find that regulation of the parameters modulating the dynamic disorder, as has been demonstrated to occur through allosteric control in bistable networks in the immune system, can be crucial in shaping the statistics of optimal transition paths, transition probabilities, and the stationary probability distribution of the network.

Robust stability analysis of switched Hopfield neural networks with time-varying delay under uncertainty

International Nuclear Information System (INIS)

Huang He; Qu Yuzhong; Li Hanxiong

2005-01-01

With the development of intelligent control, switched systems have been widely studied. Here we try to introduce some ideas of the switched systems into the field of neural networks. In this Letter, a class of switched Hopfield neural networks with time-varying delay is investigated. The parametric uncertainty is considered and assumed to be norm bounded. Firstly, the mathematical model of the switched Hopfield neural networks is established in which a set of Hopfield neural networks are used as the individual subsystems and an arbitrary switching rule is assumed; Secondly, robust stability analysis for such switched Hopfield neural networks is addressed based on the Lyapunov-Krasovskii approach. Some criteria are given to guarantee the switched Hopfield neural networks to be globally exponentially stable for all admissible parametric uncertainties. These conditions are expressed in terms of some strict linear matrix inequalities (LMIs). Finally, a numerical example is provided to illustrate our results

3D Pattern Synthesis of Time-Modulated Conformal Arrays with a Multiobjective Optimization Approach

Directory of Open Access Journals (Sweden)

Wentao Li

2014-01-01

Full Text Available This paper addresses the synthesis of the three-dimensional (3D radiation patterns of the time-modulated conformal arrays. Due to the nature of periodic time modulation, harmonic radiation patterns are generated at the multiples of the modulation frequency in time-modulated arrays. Thus, the optimization goal of the time-modulated conformal array includes the optimization of the sidelobe level at the operating frequency and the sideband levels (SBLs at the harmonic frequency, and the design can be regarded as a multiobjective problem. The multiobjective particle swarm optimization (MOPSO is applied to optimize the switch-on instants and pulse durations of the time-modulated conformal array. To significantly reduce the optimization variables, the modified Bernstein polynomial is employed in the synthesis process. Furthermore, dual polarized patch antenna is designed as radiator to achieve low cross-polarization level during the beam scanning. A 12 × 13 (156-element conical conformal microstrip array is simulated to demonstrate the proposed synthesis mechanism, and good results reveal the promising ability of the proposed algorithm in solving the synthesis of the time-modulated conformal arrays problem.

Ecological forensics : Using single point stable isotope values to infer seasonal schedules of animals after two diet switches

NARCIS (Netherlands)

Jouta, Jeltje; Dietz, Maurine W.; Reneerkens, Jeroen; Piersma, Theunis; Rakhimberdiev, Eldar; Hallgrímsson, Gunnar T.; Pen, Ido

2017-01-01

Animals adjust to seasonal challenges in physical, behavioural and spatial ways. Such adjustments are commonly associated with diet changes that often can be characterised isotopically. We introduce the 'double diet switch model', with which the occurrence and timing of two subsequent diet switches

Sustained selective attention predicts flexible switching in preschoolers.

Science.gov (United States)

Benitez, Viridiana L; Vales, Catarina; Hanania, Rima; Smith, Linda B

2017-04-01

Stability and flexibility are fundamental to an intelligent cognitive system. Here, we examined the relationship between stability in selective attention and explicit control of flexible attention. Preschoolers were tested on the Dimension Preference (DP) task, which measures the stability of selective attention to an implicitly primed dimension, and the Dimension Change Card Sort (DCCS) task, which measures flexible attention switching between dimensions. Children who successfully switched on the DCCS task were more likely than those who perseverated to sustain attention to the primed dimension on the DP task across trials. We propose that perseverators have less stable attention and distribute their attention between dimensions, whereas switchers can successfully stabilize attention to individual dimensions and, thus, show more enduring priming effects. Flexible attention may emerge, in part, from implicit processes that stabilize attention even in tasks not requiring switching. Copyright © 2016 Elsevier Inc. All rights reserved.

Multi-Stable Morphing Cellular Structures

Science.gov (United States)

2015-05-14

stiffness on critical buckling load and arch stres - ses. It should be noted that although the arches in these studies snapped-through, they did not...switch roles in moving the VMT back from the second to the first stable equilibrium state. A prototype is designed and fabricated and the transition...pulling forward on the insert on the right blade and assisting its deployment. During this process the cable 3-4-1 goes slack and plays no role , but if

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

Energy Technology Data Exchange (ETDEWEB)

Justino, Licínia L. G., E-mail: liciniaj@ci.uc.pt; Reva, Igor; Fausto, Rui [CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

2016-07-07

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N{sub 2}, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

Science.gov (United States)

Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

2016-07-01

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N2, Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Thermally and vibrationally induced conformational isomerizations, infrared spectra, and photochemistry of gallic acid in low-temperature matrices

International Nuclear Information System (INIS)

Justino, Licínia L. G.; Reva, Igor; Fausto, Rui

2016-01-01

Near-infrared (near-IR) narrowband selective vibrational excitation and annealing of gallic acid (3,4,5-trihydroxybenzoic acid) isolated in cryogenic matrices were used to induce interconversions between its most stable conformers. The isomerizations were probed by infrared spectroscopy. An extensive set of quantum chemical calculations, carried out at the DFT(B3LYP)/6-311++G(d,p) level of approximation, was used to undertake a detailed analysis of the ground state potential energy surface of the molecule. This investigation of the molecule conformational space allowed extracting mechanistic insights into the observed annealing- or near-IR-induced isomerization processes. The infrared spectra of the two most stable conformers of gallic acid in N 2 , Xe, and Ar matrices were fully assigned. Finally, the UV-induced photochemistry of the matrix isolated compound was investigated.

Activator Protein-1: redox switch controlling structure and DNA-binding.

Science.gov (United States)

Yin, Zhou; Machius, Mischa; Nestler, Eric J; Rudenko, Gabby

2017-11-02

The transcription factor, activator protein-1 (AP-1), binds to cognate DNA under redox control; yet, the underlying mechanism has remained enigmatic. A series of crystal structures of the AP-1 FosB/JunD bZIP domains reveal ordered DNA-binding regions in both FosB and JunD even in absence DNA. However, while JunD is competent to bind DNA, the FosB bZIP domain must undergo a large conformational rearrangement that is controlled by a 'redox switch' centered on an inter-molecular disulfide bond. Solution studies confirm that FosB/JunD cannot undergo structural transition and bind DNA when the redox-switch is in the 'OFF' state, and show that the mid-point redox potential of the redox switch affords it sensitivity to cellular redox homeostasis. The molecular and structural studies presented here thus reveal the mechanism underlying redox-regulation of AP-1 Fos/Jun transcription factors and provide structural insight for therapeutic interventions targeting AP-1 proteins. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

The combination of positive and negative feedback loops confers exquisite flexibility to biochemical switches

International Nuclear Information System (INIS)

Pfeuty, Benjamin; Kaneko, Kunihiko

2009-01-01

A wide range of cellular processes require molecular regulatory pathways to convert a graded signal into a discrete response. One prevalent switching mechanism relies on the coexistence of two stable states (bistability) caused by positive feedback regulations. Intriguingly, positive feedback is often supplemented with negative feedback, raising the question of whether and how these two types of feedback can cooperate to control discrete cellular responses. To address this issue, we formulate a canonical model of a protein–protein interaction network and analyze the dynamics of a prototypical two-component circuit. The appropriate combination of negative and positive feedback loops can bring a bistable circuit close to the oscillatory regime. Notably, sharply activated negative feedback can give rise to a bistable regime wherein two stable fixed points coexist and may collide pairwise with two saddle points. This specific type of bistability is found to allow for separate and flexible control of switch-on and switch-off events, for example (i) to combine fast and reversible transitions, (ii) to enable transient switching responses and (iii) to display tunable noise-induced transition rates. Finally, we discuss the relevance of such bistable switching behavior, and the circuit topologies considered, to specific biological processes such as adaptive metabolic responses, stochastic fate decisions and cell-cycle transitions. Taken together, our results suggest an efficient mechanism by which positive and negative feedback loops cooperate to drive the flexible and multifaceted switching behaviors arising in biological systems

Regime switching model for financial data: Empirical risk analysis

Science.gov (United States)

Salhi, Khaled; Deaconu, Madalina; Lejay, Antoine; Champagnat, Nicolas; Navet, Nicolas

2016-11-01

This paper constructs a regime switching model for the univariate Value-at-Risk estimation. Extreme value theory (EVT) and hidden Markov models (HMM) are combined to estimate a hybrid model that takes volatility clustering into account. In the first stage, HMM is used to classify data in crisis and steady periods, while in the second stage, EVT is applied to the previously classified data to rub out the delay between regime switching and their detection. This new model is applied to prices of numerous stocks exchanged on NYSE Euronext Paris over the period 2001-2011. We focus on daily returns for which calibration has to be done on a small dataset. The relative performance of the regime switching model is benchmarked against other well-known modeling techniques, such as stable, power laws and GARCH models. The empirical results show that the regime switching model increases predictive performance of financial forecasting according to the number of violations and tail-loss tests. This suggests that the regime switching model is a robust forecasting variant of power laws model while remaining practical to implement the VaR measurement.

Self-adjusting entropy-stable scheme for compressible Euler equations

International Nuclear Information System (INIS)

Cheng Xiao-Han; Nie Yu-Feng; Cai Li; Feng Jian-Hu; Luo Xiao-Yu

2015-01-01

In this work, a self-adjusting entropy-stable scheme is proposed for solving compressible Euler equations. The entropy-stable scheme is constructed by combining the entropy conservative flux with a suitable diffusion operator. The entropy has to be preserved in smooth solutions and be dissipated at shocks. To achieve this, a switch function, which is based on entropy variables, is employed to make the numerical diffusion term be automatically added around discontinuities. The resulting scheme is still entropy-stable. A number of numerical experiments illustrating the robustness and accuracy of the scheme are presented. From these numerical results, we observe a remarkable gain in accuracy. (paper)

Electroforming-free resistive switching memory effect in transparent p-type tin monoxide

KAUST Repository

Hota, M. K.

2014-04-14

We report reproducible low bias bipolar resistive switching behavior in p-type SnO thin film devices without extra electroforming steps. The experimental results show a stable resistance ratio of more than 100 times, switching cycling performance up to 180 cycles, and data retention of more than 103 s. The conduction mechanism varied depending on the applied voltage range and resistance state of the device. The memristive switching is shown to originate from a redox phenomenon at the Al/SnO interface, and subsequent formation/rupture of conducting filaments in the bulk of the SnO layer, likely involving oxygen vacancies and Sn interstitials.

Reply to ''Comment on 'Quantum massive conformal gravity' by F. F. Faria''

Energy Technology Data Exchange (ETDEWEB)

Faria, F.F. [Universidade Estadual do Piaui, Centro de Ciencias da Natureza, Teresina, PI (Brazil)

2017-01-15

Recently in (Eur Phys J C 76:341, 2016), Myung has suggested that the renormalizability of massive conformal gravity is meaningless unless the massive ghost states of the theory are stable. Here we show that massive conformal gravity can be renormalizable having unstable ghost states. (orig.)

Multi-polar resistance switching and memory effect in copper phthalocyanine junctions

International Nuclear Information System (INIS)

Qiao Shi-Zhu; Kang Shi-Shou; Li Qiang; Zhong Hai; Kang Yun; Yu Shu-Yun; Han Guang-Bing; Yan Shi-Shen; Mei Liang-Mo; Qin Yu-Feng

2014-01-01

Copper phthalocyanine junctions, fabricated by magnetron sputtering and evaporating methods, show multi-polar (unipolar and bipolar) resistance switching and the memory effect. The multi-polar resistance switching has not been observed simultaneously in one organic material before. With both electrodes being cobalt, the unipolar resistance switching is universal. The high resistance state is switched to the low resistance state when the bias reaches the set voltage. Generally, the set voltage increases with the thickness of copper phthalocyanine and decreases with increasing dwell time of bias. Moreover, the low resistance state could be switched to the high resistance state by absorbing the phonon energy. The stability of the low resistance state could be tuned by different electrodes. In Au/copper phthalocyanine/Co system, the low resistance state is far more stable, and the bipolar resistance switching is found. Temperature dependence of electrical transport measurements demonstrates that there are no obvious differences in the electrical transport mechanism before and after the resistance switching. They fit quite well with Mott variable range hopping theory. The effect of Al 2 O 3 on the resistance switching is excluded by control experiments. The holes trapping and detrapping in copper phthalocyanine layer are responsible for the resistance switching, and the interfacial effect between electrodes and copper phthalocyanine layer affects the memory effect. (interdisciplinary physics and related areas of science and technology)

Covariant Conformal Decomposition of Einstein Equations

Science.gov (United States)

Gourgoulhon, E.; Novak, J.

It has been shown1,2 that the usual 3+1 form of Einstein's equations may be ill-posed. This result has been previously observed in numerical simulations3,4. We present a 3+1 type formalism inspired by these works to decompose Einstein's equations. This decomposition is motivated by the aim of stable numerical implementation and resolution of the equations. We introduce the conformal 3-``metric'' (scaled by the determinant of the usual 3-metric) which is a tensor density of weight -2/3. The Einstein equations are then derived in terms of this ``metric'', of the conformal extrinsic curvature and in terms of the associated derivative. We also introduce a flat 3-metric (the asymptotic metric for isolated systems) and the associated derivative. Finally, the generalized Dirac gauge (introduced by Smarr and York5) is used in this formalism and some examples of formulation of Einstein's equations are shown.

3,3-Dimethylacylthioureas: "S", "-S", "U" or "W" Conformation?

Directory of Open Access Journals (Sweden)

M. Piris

2000-03-01

Full Text Available We report a study of 3,3-dimethyl substituted acylthioureas. X ray data and quantum mechanical calculations demonstrated that the "S" conformation is the most stable both for the acylthioureas and the corresponding anions. The high regioselectivity towards S-alkylation is explained on the basis of the localization of the HOMO mainly over the sulfur atom.

Theoretical study on the adsorption and relative stability of conformers of L-ascorbic acid on γ - alumina (100) surface

Science.gov (United States)

Mozaffari Majd, M.; Dabbagh, H. A.; Farrokhpour, H.; Najafi Chermahini, A.

2017-11-01

The adsorption energies (Eads) and relative stabilities of selected conformers of the most stable tautomer of L-ascorbic acid (vitamin C) on the dehydroxylated γ-alumina (100) surface were calculated in both gas phase and solvent (water) using the density functional theory (DFT) method. The selected conformers were related to the different rotational angles of OH groups of L-ascorbic acid. The conformational analysis of bare tautomer in both gas and water showed that the conformer No.20 (conf. 20) and 13 (conf. 13) with the dihedral angles of H15sbnd O10sbnd C11sbnd C9 (-73°) and H20sbnd O19sbnd C9sbnd C11 (-135°) were the most stable and unstable conformers, respectively. The performed calculations in the presence of surface showed that the interaction of the conformers with the surface changes their relative stabilities and structures in both gas phase and water. The Ead of each conformer was calculated and it was determined that conf. 8 and conf. 16 have the highest value of Ead in the gas phase (-62.56 kcal/mol) and water (-54.44 kcal/mol), respectively. The optimized structure of each conformer on the surface and the number of hydrogen bonds between it and surface along with their bond lengths were determined.

AIR ATMOSPHERIC-PRESSURE DISCHARGERS FOR OPERATION IN HIGH-FREQUENCY SWITCHING MODE.

Directory of Open Access Journals (Sweden)

L.S. Yevdoshenko

2013-10-01

Full Text Available Operation of two designs of compact multigap dischargers has been investigated in a high-frequency switching mode. It is experimentally revealed that the rational length of single discharge gaps in the designs is 0.3 mm, and the maximum switching frequency is 27000 discharges per second under long-term stable operation of the dischargers. It is shown that in pulsed corona discharge reactors, the pulse front sharpening results in increasing the operating electric field strength by 1.3 – 1.8 times.

Ab initio theory for current-induced molecular switching: Melamine on Cu(001)

KAUST Repository

Ohto, Tatsuhiko

2013-05-28

Melamine on Cu(001) is mechanically unstable under the current of a scanning tunneling microscope tip and can switch among configurations. However, these are not equally accessible, and the switching critical current depends on the bias polarity. In order to explain such rich phenomenology, we have developed a scheme to evaluate the evolution of the reaction paths and activation barriers as a function of bias, which is rooted in the nonequilibrium Green\\'s function method implemented within density functional theory. This, combined with the calculation of the inelastic electron tunneling spectroscopy signal, allows us to identify the vibrational modes promoting the observed molecular conformational changes. Finally, once our ab initio results are used within a resonance model, we are able to explain the details of the switching behavior, such as its dependence on the bias polarity, and the noninteger power relation between the reaction rate constants and both the bias voltage and the electric current. © 2013 American Physical Society.

Ab initio theory for current-induced molecular switching: Melamine on Cu(001)

KAUST Repository

Ohto, Tatsuhiko; Rungger, Ivan; Yamashita, Koichi; Nakamura, Hisao; Sanvito, Stefano

2013-01-01

Melamine on Cu(001) is mechanically unstable under the current of a scanning tunneling microscope tip and can switch among configurations. However, these are not equally accessible, and the switching critical current depends on the bias polarity. In order to explain such rich phenomenology, we have developed a scheme to evaluate the evolution of the reaction paths and activation barriers as a function of bias, which is rooted in the nonequilibrium Green's function method implemented within density functional theory. This, combined with the calculation of the inelastic electron tunneling spectroscopy signal, allows us to identify the vibrational modes promoting the observed molecular conformational changes. Finally, once our ab initio results are used within a resonance model, we are able to explain the details of the switching behavior, such as its dependence on the bias polarity, and the noninteger power relation between the reaction rate constants and both the bias voltage and the electric current. © 2013 American Physical Society.

Orbit Correction for the Newly Developed Polarization-Switching Undulator

Science.gov (United States)

Obina, Takashi; Honda, Tohru; Shioya, Tatsuro; Kobayashi, Yukinori; Tsuchiya, Kimichika; Yamamoto, Shigeru

2007-01-01

A new scheme of undulator magnet arrangements has been proposed and developed as a polarization-switching radiation source, and its test-stand was installed in the 2.5-GeV Photon Factory storage ring (PF ring) in order to investigate the effects on the beam orbit. The closed orbit distortion (COD) over 200 μm was produced in a vertical direction when we switched the polarization of the radiation from the test-stand. In a horizontal direction, the COD was less than 50μm. The results agreed well with the predictions from the magnetic-field measurement on the bench. In order to suppress the CODs and realize a stable operation of the ring with the polarization-switching, we developed an orbit correction system which consists of an encoder to detect motion of magnets, a pair of beam position monitors (BPMs), signal processing parts, and a pair of steering magnets. We succeeded in suppressing the CODs to the level below 3μm using the system even when we switch the polarization at a maximum frequency of 0.8 Hz.

Influence of conformity on the wear of total knee replacement: An experimental study.

Science.gov (United States)

Brockett, Claire L; Carbone, Silvia; Fisher, John; Jennings, Louise M

2018-02-01

Wear of total knee replacement continues to be a significant factor influencing the clinical longevity of implants. Historically, failure due to delamination and fatigue directed design towards more conforming inserts to reduce contact stress. As new generations of more oxidatively stable polyethylene have been developed, more flexibility in bearing design has been introduced. The aim of this study was to investigate the effect of insert conformity on the wear performance of a fixed bearing total knee replacement through experimental simulation. Two geometries of insert were studied under standard gait conditions. There was a significant reduction in wear with reducing implant conformity. This study has demonstrated that bearing conformity has a significant impact on the wear performance of a fixed bearing total knee replacement, providing opportunities to improve clinical performance through enhanced material and design selection.

Efficient free energy calculations for compounds with multiple stable conformations separated by high energy barriers

NARCIS (Netherlands)

Hritz, J.; Oostenbrink, C.

2009-01-01

Compounds with high intramolecular energy barriers represent challenging targets for free energy calculations because of the difficulty to obtain sufficient conformational sampling. Existing approaches are therefore computationally very demanding, thus preventing practical applications for such

Potential energy landscape and robustness of a gene regulatory network: toggle switch.

Directory of Open Access Journals (Sweden)

Keun-Young Kim

2007-03-01

Full Text Available Finding a multidimensional potential landscape is the key for addressing important global issues, such as the robustness of cellular networks. We have uncovered the underlying potential energy landscape of a simple gene regulatory network: a toggle switch. This was realized by explicitly constructing the steady state probability of the gene switch in the protein concentration space in the presence of the intrinsic statistical fluctuations due to the small number of proteins in the cell. We explored the global phase space for the system. We found that the protein synthesis rate and the unbinding rate of proteins to the gene were small relative to the protein degradation rate; the gene switch is monostable with only one stable basin of attraction. When both the protein synthesis rate and the unbinding rate of proteins to the gene are large compared with the protein degradation rate, two global basins of attraction emerge for a toggle switch. These basins correspond to the biologically stable functional states. The potential energy barrier between the two basins determines the time scale of conversion from one to the other. We found as the protein synthesis rate and protein unbinding rate to the gene relative to the protein degradation rate became larger, the potential energy barrier became larger. This also corresponded to systems with less noise or the fluctuations on the protein numbers. It leads to the robustness of the biological basins of the gene switches. The technique used here is general and can be applied to explore the potential energy landscape of the gene networks.

Polyaniline-based memristive microdevice with high switching rate and endurance

Science.gov (United States)

Lapkin, D. A.; Emelyanov, A. V.; Demin, V. A.; Erokhin, V. V.; Feigin, L. A.; Kashkarov, P. K.; Kovalchuk, M. V.

2018-01-01

Polyaniline (PANI) based memristive devices have emerged as promising candidates for hardware implementation of artificial synapses (the key components of neuromorphic systems) due to their high flexibility, low cost, solution processability, three-dimensional stacking capability, and biocompatibility. Here, we report on a way of the significant improvement of the switching rate and endurance of PANI-based memristive devices. The reduction of the PANI active channel dimension leads to the increase in the resistive switching rate by hundreds of times in comparison with the conventional one. The miniaturized memristive device was shown to be stable within at least 104 cyclic switching events between high- and low-conductive states with a retention time of at least 103 s. The obtained results make PANI-based memristive devices potentially widely applicable in neuromorphic systems.

The nanocoherer: an electrically and mechanically resettable resistive switching device based on gold clusters assembled on paper

Science.gov (United States)

Minnai, Chloé; Mirigliano, Matteo; Brown, Simon A.; Milani, Paolo

2018-03-01

We report the realization of a resettable resistive switching device based on a nanostructured film fabricated by supersonic cluster beam deposition of gold clusters on plain paper substrates. Through the application of suitable voltage ramps, we obtain, in the same device, either a complex pattern of resistive switchings, or reproducible and stable switchings between low resistance and high resistance states, with an amplitude up to five orders of magnitude. Our device retains a state of internal resistance following the history of the applied voltage similar to that reported for memristors. The two different switching regimes in the same device are both stable, the transition between them is reversible, and it can be controlled by applying voltage ramps or by mechanical deformation of the substrate. The device behavior can be related to the formation, growth and breaking of junctions between the loosely aggregated gold clusters forming the nanostructured films. The fact that our cluster-assembled device is mechanically resettable suggests that it can be considered as the analog of the coherer: a switching device based on metallic powders used for the first radio communication system.

Sex differences in confidence influence patterns of conformity.

Science.gov (United States)

Cross, Catharine P; Brown, Gillian R; Morgan, Thomas J H; Laland, Kevin N

2017-11-01

Lack of confidence in one's own ability can increase the likelihood of relying on social information. Sex differences in confidence have been extensively investigated in cognitive tasks, but implications for conformity have not been directly tested. Here, we tested the hypothesis that, in a task that shows sex differences in confidence, an indirect effect of sex on social information use will also be evident. Participants (N = 168) were administered a mental rotation (MR) task or a letter transformation (LT) task. After providing an answer, participants reported their confidence before seeing the responses of demonstrators and being allowed to change their initial answer. In the MR, but not the LT, task, women showed lower levels of confidence than men, and confidence mediated an indirect effect of sex on the likelihood of switching answers. These results provide novel, experimental evidence that confidence is a general explanatory mechanism underpinning susceptibility to social influences. Our results have implications for the interpretation of the wider literature on sex differences in conformity. © 2016 The British Psychological Society.

Wavelength switching in an optical klystron

International Nuclear Information System (INIS)

Berryman, K.W.; Smith, T.I.

1995-01-01

A symmetric optical klystron consists of two identical undulator sections separated a dispersive section. For a device of a given length, an optical klystron is capable of producing much more bunching, and therefore more gain, than a traditional undulator. Another consequence of introducing dispersion between two undulator sections is that the overall spontaneous radiation pattern results from the interference between the two undulator sections, and as such resembles a standard undulator radiation pattern modulated by a sinusoidal interference term. The presence of several wavelength peaks in the spontaneous lineshape implies an equal number of peaks in the gain spectrum. If the strength of the dispersion section is adjusted to provide nearly equal gain on the two largest of these peaks, then they will compete, and the FEL may switch wavelengths based on noise, cavity length, or other perturbations. We provide the first observations of this behavior, using the FIREFLY system at the Stanford Picosecond FEL Center. In FIREFLY, relative wavelength switching by more than 3%--more than twice the laser linewidth-has been observed by varying dispersion section strength, while at intermediate points stable switching has also been observed as a function of cavity length

Rapid fuel switching from coal to natural gas through effective carbon pricing

Science.gov (United States)

Wilson, I. A. Grant; Staffell, Iain

2018-05-01

Great Britain's overall carbon emissions fell by 6% in 2016, due to cleaner electricity production. This was not due to a surge in low-carbon nuclear or renewable sources; instead it was the much-overlooked impact of fuel switching from coal to natural gas generation. This Perspective considers the enabling conditions in Great Britain and the potential for rapid fuel switching in other coal-reliant countries. We find that spare generation and fuel supply-chain capacity must already exist for fuel switching to deliver rapid carbon savings, and to avoid further high-carbon infrastructure lock-in. More important is the political will to alter the marketplace and incentivize this switch, for example, through a stable and strong carbon price. With the right incentives, fuel switching in the power sector could rapidly achieve on the order of 1 GtCO2 saving per year worldwide (3% of global emissions), buying precious time to slow the growth in cumulative carbon emissions.

Switching LPV Control with Double-Layer LPV Model for Aero-Engines

Science.gov (United States)

Tang, Lili; Huang, Jinquan; Pan, Muxuan

2017-11-01

To cover the whole range of operating conditions of aero-engine, a double-layer LPV model is built so as to take into account of the variability due to the flight altitude, Mach number and the rotational speed. With this framework, the problem of designing LPV state-feedback robust controller that guarantees desired bounds on both H_∞ and H_2 performances is considered. Besides this, to reduce the conservativeness caused by a single LPV controller of the whole flight envelope and the common Lyapunov function method, a new method is proposed to design a family of LPV switching controllers. The switching LPV controllers can ensure that the closed-loop system remains stable in the sense of Lyapunov under arbitrary switching logic. Meanwhile, the switching LPV controllers can ensure the parameters change smoothly. The validity and performance of the theoretical results are demonstrated through a numerical example.

A switched state feedback law for the stabilization of LTI systems.

Energy Technology Data Exchange (ETDEWEB)

Santarelli, Keith R.

2009-09-01

Inspired by prior work in the design of switched feedback controllers for second order systems, we develop a switched state feedback control law for the stabilization of LTI systems of arbitrary dimension. The control law operates by switching between two static gain vectors in such a way that the state trajectory is driven onto a stable n - 1 dimensional hyperplane (where n represents the system dimension). We begin by briefly examining relevant geometric properties of the phase portraits in the case of two-dimensional systems to develop intuition, and we then show how these geometric properties can be expressed as algebraic constraints on the switched vector fields that are applicable to LTI systems of arbitrary dimension. We then derive necessary and sufficient conditions to ensure stabilizability of the resulting switched system (characterized primarily by simple conditions on eigenvalues), and describe an explicit procedure for designing stabilizing controllers. We then show how the newly developed control law can be applied to the problem of minimizing the maximal Lyapunov exponent of the corresponding closed-loop state trajectories, and we illustrate the closed-loop transient performance of these switched state feedback controllers via multiple examples.

Conformational flexibility of avidin: the influence of biotin binding

International Nuclear Information System (INIS)

Soledad Celej, M.; Montich, Guillermo G.; Fidelio, Gerardo D.

2004-01-01

Ligand binding to proteins is a key process in cell biochemistry. The interaction usually induces modifications in the unfolding thermodynamic parameters of the macromolecule due to the coupling of unfolding and binding equilibria. In addition, these modifications can be attended by changes in protein structure and/or conformational flexibility induced by ligand binding. In this work, we have explored the effect of biotin binding on conformation and dynamic properties of avidin by using infrared spectroscopy including kinetics of hydrogen/deuterium exchange. Our results, along with previously thermodynamic published data, indicate a clear correlation between thermostability and protein compactness. In addition, our results also help to interpret the thermodynamic binding parameters of the exceptionally stable biotin:AVD complex

Hybrid colored noise process with space-dependent switching rates

Science.gov (United States)

Bressloff, Paul C.; Lawley, Sean D.

2017-07-01

A fundamental issue in the theory of continuous stochastic process is the interpretation of multiplicative white noise, which is often referred to as the Itô-Stratonovich dilemma. From a physical perspective, this reflects the need to introduce additional constraints in order to specify the nature of the noise, whereas from a mathematical perspective it reflects an ambiguity in the formulation of stochastic differential equations (SDEs). Recently, we have identified a mechanism for obtaining an Itô SDE based on a form of temporal disorder. Motivated by switching processes in molecular biology, we considered a Brownian particle that randomly switches between two distinct conformational states with different diffusivities. In each state, the particle undergoes normal diffusion (additive noise) so there is no ambiguity in the interpretation of the noise. However, if the switching rates depend on position, then in the fast switching limit one obtains Brownian motion with a space-dependent diffusivity of the Itô form. In this paper, we extend our theory to include colored additive noise. We show that the nature of the effective multiplicative noise process obtained by taking both the white-noise limit (κ →0 ) and fast switching limit (ɛ →0 ) depends on the order the two limits are taken. If the white-noise limit is taken first, then we obtain Itô, and if the fast switching limit is taken first, then we obtain Stratonovich. Moreover, the form of the effective diffusion coefficient differs in the two cases. The latter result holds even in the case of space-independent transition rates, where one obtains additive noise processes with different diffusion coefficients. Finally, we show that yet another form of multiplicative noise is obtained in the simultaneous limit ɛ ,κ →0 with ɛ /κ2 fixed.

Communication over the network of binary switches regulates the activation of A2A adenosine receptor.

Directory of Open Access Journals (Sweden)

Yoonji Lee

2015-02-01

Full Text Available Dynamics and functions of G-protein coupled receptors (GPCRs are accurately regulated by the type of ligands that bind to the orthosteric or allosteric binding sites. To glean the structural and dynamical origin of ligand-dependent modulation of GPCR activity, we performed total ~ 5 μsec molecular dynamics simulations of A2A adenosine receptor (A2AAR in its apo, antagonist-bound, and agonist-bound forms in an explicit water and membrane environment, and examined the corresponding dynamics and correlation between the 10 key structural motifs that serve as the allosteric hotspots in intramolecular signaling network. We dubbed these 10 structural motifs "binary switches" as they display molecular interactions that switch between two distinct states. By projecting the receptor dynamics on these binary switches that yield 2(10 microstates, we show that (i the receptors in apo, antagonist-bound, and agonist-bound states explore vastly different conformational space; (ii among the three receptor states the apo state explores the broadest range of microstates; (iii in the presence of the agonist, the active conformation is maintained through coherent couplings among the binary switches; and (iv to be most specific, our analysis shows that W246, located deep inside the binding cleft, can serve as both an agonist sensor and actuator of ensuing intramolecular signaling for the receptor activation. Finally, our analysis of multiple trajectories generated by inserting an agonist to the apo state underscores that the transition of the receptor from inactive to active form requires the disruption of ionic-lock in the DRY motif.

Nonvolatile conductive filaments resistive switching behaviors in Ag/GaO{sub x} /Nb:SrTiO{sub 3}/Ag structure

Energy Technology Data Exchange (ETDEWEB)

Li, P.G. [Beijing University of Posts and Telecommunications, State Key Laboratory of Information Photonics and Optical Communication, Beijing (China); Zhejiang Sci-Tech University, Center for Optoelectronics Materials and Devices, Hangzhou (China); Zhi, Y.S.; An, Y.H.; Guo, D.Y.; Tang, W.H.; Xiao, J.H. [Beijing University of Posts and Telecommunications, State Key Laboratory of Information Photonics and Optical Communication, Beijing (China); Wang, P.C. [Zhejiang Sci-Tech University, Center for Optoelectronics Materials and Devices, Hangzhou (China); Sun, Z.B. [Chinese Academy of Sciences, Key Laboratory of Electronics and Information Technology for Space Systems, National Space Science Center, Beijing (China); Li, L.H. [State University of New York at Potsdam, Department of Physics, Potsdam, NY (United States)

2016-07-15

Ag/GaO{sub x} /NSTO/Ag structures were fabricated, and the electrical properties measurement results show that the device behaviors a unipolar resistance switching characteristic with bi-stable resistance ratio of three orders. In the positive voltage region, the dominant conducting mechanism of high resistance state obeys Poole-Frenkel emission rules, while in the negative region, that obeys space-charge-limited current mechanism. Both the I-V curves of ON and OFF states and temperature-dependent variation resistances indicate that the unipolar resistance switching behavior can be explained by the formation/rupture of conductive filaments, which composed of oxygen vacancies. The stable switching results demonstrated that the structure can be applied in resistance random access memory devices. (orig.)

pH-induced photocurrent switching based on a highly stable drop-casting film of imidazole moiety-containing dinuclear Ru(II) Complex

International Nuclear Information System (INIS)

Xue, Long-Xin; Duan, Zhi-Ming; Jia, Jia; Wang, Ke-Zhi; Haga, Masa-aki

2014-01-01

Graphical abstract: > Solvent-casting Ru(II) complex modified electrode. > Positive shifting of half-wave potentials of Ru(III)/Ru(II) by pH decreases. > Greatly enhanced cathodic photocurrents by pH decreases. - Highlights: • Solvent-casting Ru(II) complex modified electrode. • Positive shifting of half-wave potentials of Ru(III)/Ru(II) by pH decreases. • Greatly enhanced cathodic photocurrents by pH decreases. - Abstract: A new dinuclear Ru(II) complex of [(H 2 L 1 )Ru(H 2 L 2 )Ru(H 2 L 1 )](ClO 4 ) 4 {H 2 L 1 = 2,6-bis(2-benzimidazolyl)pyridine; H 2 L 2 = 2,6-bis(4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)-1,5- dihydrobenzo[1,2-d:4,5-d’]diimidazole} is synthesized and characterized. The Ru(II) complex modified indium-tin oxide electrode prepared using a drop-casting method, exhibited a couple of stable surface-confined Ru(III)/Ru(II)-based redox waves centered at +0.65 V vs saturated calomel electrode that were almost unchanged after 50 consecutive cyclic voltammetry scanning. The modified electrode showed pH-dependent redox behaviors with the formal potential being decreased by 430 mV due to the occurrance of the proton-coupled redox reactions. The cathodic photocurrent generation of the modified electrode was also found to be highly pH-dependent, switching from an “off” state at pH ∼11.0 to an “on” state at pH = 2.20 with an enhancement factor of 18. The modified electrode was shown to have promising applications as photoelectrochemical pH sensing and switching devices

Polarity-Free Resistive Switching Characteristics of CuxO Films for Non-volatile Memory Applications

International Nuclear Information System (INIS)

Hang-Bing, Lv; Peng, Zhou; Xiu-Feng, Fu; Ming, Yin; Ya-Li, Song; Li, Tang; Ting-Ao, Tang; Yin-Yin, Lin

2008-01-01

Resistive switching characteristics of Cu x O films grown by plasma oxidation process at room temperature are investigated. Both bipolar and unipolar stable resistive switching behaviours are observed and confirmed by repeated current–voltage measurements. It is found that the RESET current is dependent on SET compliance current. The mechanism behind this new phenomenon can be understood in terms of conductive filaments formation/rupture with the contribution of Joule heating

Auditory Multi-Stability: Idiosyncratic Perceptual Switching Patterns, Executive Functions and Personality Traits.

Directory of Open Access Journals (Sweden)

Dávid Farkas

Full Text Available Multi-stability refers to the phenomenon of perception stochastically switching between possible interpretations of an unchanging stimulus. Despite considerable variability, individuals show stable idiosyncratic patterns of switching between alternative perceptions in the auditory streaming paradigm. We explored correlates of the individual switching patterns with executive functions, personality traits, and creativity. The main dimensions on which individual switching patterns differed from each other were identified using multidimensional scaling. Individuals with high scores on the dimension explaining the largest portion of the inter-individual variance switched more often between the alternative perceptions than those with low scores. They also perceived the most unusual interpretation more often, and experienced all perceptual alternatives with a shorter delay from stimulus onset. The ego-resiliency personality trait, which reflects a tendency for adaptive flexibility and experience seeking, was significantly positively related to this dimension. Taking these results together we suggest that this dimension may reflect the individual's tendency for exploring the auditory environment. Executive functions were significantly related to some of the variables describing global properties of the switching patterns, such as the average number of switches. Thus individual patterns of perceptual switching in the auditory streaming paradigm are related to some personality traits and executive functions.

Dynamic and Progressive Control of DNA Origami Conformation by Modulating DNA Helicity with Chemical Adducts.

Science.gov (United States)

Chen, Haorong; Zhang, Hanyu; Pan, Jing; Cha, Tae-Gon; Li, Shiming; Andréasson, Joakim; Choi, Jong Hyun

2016-05-24

DNA origami has received enormous attention for its ability to program complex nanostructures with a few nanometer precision. Dynamic origami structures that change conformation in response to environmental cues or external signals hold great promises in sensing and actuation at the nanoscale. The reconfiguration mechanism of existing dynamic origami structures is mostly limited to single-stranded hinges and relies almost exclusively on DNA hybridization or strand displacement. Here, we show an alternative approach by demonstrating on-demand conformation changes with DNA-binding molecules, which intercalate between base pairs and unwind DNA double helices. The unwinding effect modulates the helicity mismatch in DNA origami, which significantly influences the internal stress and the global conformation of the origami structure. We demonstrate the switching of a polymerized origami nanoribbon between different twisting states and a well-constrained torsional deformation in a monomeric origami shaft. The structural transformation is shown to be reversible, and binding isotherms confirm the reconfiguration mechanism. This approach provides a rapid and reversible means to change DNA origami conformation, which can be used for dynamic and progressive control at the nanoscale.

Hartree-Fock and density functional theory study of alpha-cyclodextrin conformers.

Science.gov (United States)

Jiménez, Verónica; Alderete, Joel B

2008-01-31

Herein, we report the geometry optimization of four conformers of alpha-cyclodextrin (alpha-CD) by means of PM3, HF/STO-3G, HF/3-21G, HF/6-31G(d), B3LYP/6-31G(d), and X3LYP/6-31G(d) calculations. The analysis of several geometrical parameters indicates that all conformers possess bond lengths, angles, and dihedrals that agree fairly well with the crystalline structure of alpha-CD. However, only three of them (1-3) resemble the polar character of CDs and show intramolecular hydrogen-bonding patterns that agree with experimental NMR data. Among them, conformer 3 appears to be the most stable species both in the gas phase and in solution; therefore, it is expected to be the most suitable representative structure for alpha-CD conformation. The purpose of selecting such a species is to identify an appropriate structure to be employed as a starting point for reliable computational studies on complexation phenomena. Our results indicate that the choice of a particular alpha-CD conformer should affect the results of ab initio computational studies on the inclusion complexation with this cyclodextrin since both the direction and the magnitude of the dipole moment depend strongly on the conformation of alpha-CD.

Functional Architecture of the Outer Arm Dynein Conformational Switch*

Science.gov (United States)

King, Stephen M.; Patel-King, Ramila S.

2012-01-01

Dynein light chain 1 (LC1/DNAL1) is one of the most highly conserved components of ciliary axonemal outer arm dyneins, and it associates with both a heavy chain motor unit and tubulin located within the A-tubule of the axonemal outer doublet microtubules. In a variety of model systems, lack of LC1 or expression of mutant forms leads to profound defects in ciliary motility, including the failure of the hydrodynamic coupling needed for ciliary metachronal synchrony, random stalling during the power/recovery stroke transition, an aberrant response to imposed viscous load, and in some cases partial failure of motor assembly. These phenotypes have led to the proposal that LC1 acts as part of a mechanical switch to control motor function in response to alterations in axonemal curvature. Here we have used NMR chemical shift mapping to define the regions perturbed by a series of mutations in the C-terminal domain that yield a range of phenotypic effects on motility. In addition, we have identified the subdomain of LC1 involved in binding microtubules and characterized the consequences of an Asn → Ser alteration within the terminal leucine-rich repeat that in humans causes primary ciliary dyskinesia. Together, these data define a series of functional subdomains within LC1 and allow us to propose a structural model for the organization of the dynein heavy chain-LC1-microtubule ternary complex that is required for the coordinated activity of dynein motors in cilia. PMID:22157010

Quantifying polypeptide conformational space: sensitivity to conformation and ensemble definition.

Science.gov (United States)

Sullivan, David C; Lim, Carmay

2006-08-24

Quantifying the density of conformations over phase space (the conformational distribution) is needed to model important macromolecular processes such as protein folding. In this work, we quantify the conformational distribution for a simple polypeptide (N-mer polyalanine) using the cumulative distribution function (CDF), which gives the probability that two randomly selected conformations are separated by less than a "conformational" distance and whose inverse gives conformation counts as a function of conformational radius. An important finding is that the conformation counts obtained by the CDF inverse depend critically on the assignment of a conformation's distance span and the ensemble (e.g., unfolded state model): varying ensemble and conformation definition (1 --> 2 A) varies the CDF-based conformation counts for Ala(50) from 10(11) to 10(69). In particular, relatively short molecular dynamics (MD) relaxation of Ala(50)'s random-walk ensemble reduces the number of conformers from 10(55) to 10(14) (using a 1 A root-mean-square-deviation radius conformation definition) pointing to potential disconnections in comparing the results from simplified models of unfolded proteins with those from all-atom MD simulations. Explicit waters are found to roughen the landscape considerably. Under some common conformation definitions, the results herein provide (i) an upper limit to the number of accessible conformations that compose unfolded states of proteins, (ii) the optimal clustering radius/conformation radius for counting conformations for a given energy and solvent model, (iii) a means of comparing various studies, and (iv) an assessment of the applicability of random search in protein folding.

Adaptive Neural Tracking Control for Discrete-Time Switched Nonlinear Systems with Dead Zone Inputs

Directory of Open Access Journals (Sweden)

Jidong Wang

2017-01-01

Full Text Available In this paper, the adaptive neural controllers of subsystems are proposed for a class of discrete-time switched nonlinear systems with dead zone inputs under arbitrary switching signals. Due to the complicated framework of the discrete-time switched nonlinear systems and the existence of the dead zone, it brings about difficulties for controlling such a class of systems. In addition, the radial basis function neural networks are employed to approximate the unknown terms of each subsystem. Switched update laws are designed while the parameter estimation is invariable until its corresponding subsystem is active. Then, the closed-loop system is stable and all the signals are bounded. Finally, to illustrate the effectiveness of the proposed method, an example is employed.

Controlled perturbation-induced switching in pulse-coupled oscillator networks

International Nuclear Information System (INIS)

Schittler Neves, Fabio; Timme, Marc

2009-01-01

Pulse-coupled systems such as spiking neural networks exhibit nontrivial invariant sets in the form of attracting yet unstable saddle periodic orbits where units are synchronized into groups. Heteroclinic connections between such orbits may in principle support switching processes in these networks and enable novel kinds of neural computations. For small networks of coupled oscillators, we here investigate under which conditions and how system symmetry enforces or forbids certain switching transitions that may be induced by perturbations. For networks of five oscillators, we derive explicit transition rules that for two cluster symmetries deviate from those known from oscillators coupled continuously in time. A third symmetry yields heteroclinic networks that consist of sets of all unstable attractors with that symmetry and the connections between them. Our results indicate that pulse-coupled systems can reliably generate well-defined sets of complex spatiotemporal patterns that conform to specific transition rules. We briefly discuss possible implications for computation with spiking neural systems.

Controlled perturbation-induced switching in pulse-coupled oscillator networks

Energy Technology Data Exchange (ETDEWEB)

Schittler Neves, Fabio; Timme, Marc [Network Dynamics Group, Max Planck Institute for Dynamics and Self-Organization, Goettingen, D-37073 (Germany); Bernstein Center for Computational Neuroscience (BCCN), Goettingen (Germany)], E-mail: neves@nld.ds.mpg.de, E-mail: timme@nld.ds.mpg.de

2009-08-28

Pulse-coupled systems such as spiking neural networks exhibit nontrivial invariant sets in the form of attracting yet unstable saddle periodic orbits where units are synchronized into groups. Heteroclinic connections between such orbits may in principle support switching processes in these networks and enable novel kinds of neural computations. For small networks of coupled oscillators, we here investigate under which conditions and how system symmetry enforces or forbids certain switching transitions that may be induced by perturbations. For networks of five oscillators, we derive explicit transition rules that for two cluster symmetries deviate from those known from oscillators coupled continuously in time. A third symmetry yields heteroclinic networks that consist of sets of all unstable attractors with that symmetry and the connections between them. Our results indicate that pulse-coupled systems can reliably generate well-defined sets of complex spatiotemporal patterns that conform to specific transition rules. We briefly discuss possible implications for computation with spiking neural systems.

Switching among graphic patterns is governed by oscillatory coordination dynamics: Implications for understanding handwriting.

Directory of Open Access Journals (Sweden)

Pier-Giorgio eZanone

2013-09-01

Full Text Available Revisiting an original idea by Hollerbach (1981, previous work has established that the production of graphic shapes, assumed to be the blueprint for handwriting, is governed by the dynamics of orthogonal non-linear coupled oscillators. Such dynamics determines few stable coordination patterns, giving rise to a limited set of preferred graphic shapes, namely, four lines and four ellipsoids independent of orientation. The present study investigates the rules of switching among such graphic coordination patterns. Seven participants were required to voluntarily switch within twelve pairs of shapes presented on a graphic tablet. In line with previous theoretical and experimental work on bimanual coordination, results corroborated our hypothesis that the relative stability of the produced coordination patterns determines the time needed for switching: the transition to a more stable pattern was shorter, and inversely. Moreover, switching between patterns with the same orientation but different eccentricities was faster than with a change in orientation. Nonetheless, the switching time covaried strictly with the change in relative phase effected by the transition between two shapes, whether this implied a change in eccentricity or in orientation. These findings suggest a new operational definition of what the (motor units or strokes of handwriting are and shed a novel light on how co-articulation and recruitment of degrees of freedom may occur in graphic skills. They also yield some leads for understanding the acquisition and the neural underpinnings of handwriting.

An Element of Determinism in a Stochastic Flagellar Motor Switch.

Science.gov (United States)

Xie, Li; Altindal, Tuba; Wu, Xiao-Lun

2015-01-01

Marine bacterium Vibrio alginolyticus uses a single polar flagellum to navigate in an aqueous environment. Similar to Escherichia coli cells, the polar flagellar motor has two states; when the motor is counter-clockwise, the cell swims forward and when the motor is clockwise, the cell swims backward. V. alginolyticus also incorporates a direction randomization step at the start of the forward swimming interval by flicking its flagellum. To gain an understanding on how the polar flagellar motor switch is regulated, distributions of the forward Δf and backward Δb intervals are investigated herein. We found that the steady-state probability density functions, P(Δf) and P(Δb), of freely swimming bacteria are strongly peaked at a finite time, suggesting that the motor switch is not Poissonian. The short-time inhibition is sufficiently strong and long lasting, i.e., several hundred milliseconds for both intervals, which is readily observed and characterized. Treating motor reversal dynamics as a first-passage problem, which results from conformation fluctuations of the motor switch, we calculated P(Δf) and P(Δb) and found good agreement with the measurements.

A Polymerization-Associated Structural Switch in FtsZ That Enables Treadmilling of Model Filaments

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James M. Wagstaff

2017-05-01

Full Text Available Bacterial cell division in many organisms involves a constricting cytokinetic ring that is orchestrated by the tubulin-like protein FtsZ. FtsZ forms dynamic filaments close to the membrane at the site of division that have recently been shown to treadmill around the division ring, guiding septal wall synthesis. Here, using X-ray crystallography of Staphylococcus aureus FtsZ (SaFtsZ, we reveal how an FtsZ can adopt two functionally distinct conformations, open and closed. The open form is found in SaFtsZ filaments formed in crystals and also in soluble filaments of Escherichia coli FtsZ as deduced by electron cryomicroscopy. The closed form is found within several crystal forms of two nonpolymerizing SaFtsZ mutants and corresponds to many previous FtsZ structures from other organisms. We argue that FtsZ’s conformational switch is polymerization-associated, driven by the formation of the longitudinal intersubunit interfaces along the filament. We show that such a switch provides explanations for both how treadmilling may occur within a single-stranded filament and why filament assembly is cooperative.

A dynamic view of molecular switch behavior at serotonin receptors: implications for functional selectivity.

Directory of Open Access Journals (Sweden)

Maria Martí-Solano

Full Text Available Functional selectivity is a property of G protein-coupled receptors that allows them to preferentially couple to particular signaling partners upon binding of biased agonists. Publication of the X-ray crystal structure of serotonergic 5-HT1B and 5-HT2B receptors in complex with ergotamine, a drug capable of activating G protein coupling and β-arrestin signaling at the 5-HT1B receptor but clearly favoring β-arrestin over G protein coupling at the 5-HT2B subtype, has recently provided structural insight into this phenomenon. In particular, these structures highlight the importance of specific residues, also called micro-switches, for differential receptor activation. In our work, we apply classical molecular dynamics simulations and enhanced sampling approaches to analyze the behavior of these micro-switches and their impact on the stabilization of particular receptor conformational states. Our analysis shows that differences in the conformational freedom of helix 6 between both receptors could explain their different G protein-coupling capacity. In particular, as compared to the 5-HT1B receptor, helix 6 movement in the 5-HT2B receptor can be constrained by two different mechanisms. On the one hand, an anchoring effect of ergotamine, which shows an increased capacity to interact with the extracellular part of helices 5 and 6 and stabilize them, hinders activation of a hydrophobic connector region at the center of the receptor. On the other hand, this connector region in an inactive conformation is further stabilized by unconserved contacts extending to the intracellular part of the 5-HT2B receptor, which hamper opening of the G protein binding site. This work highlights the importance of considering receptor capacity to adopt different conformational states from a dynamic perspective in order to underpin the structural basis of functional selectivity.

Allosteric substrate switching in a voltage-sensing lipid phosphatase.

Science.gov (United States)

Grimm, Sasha S; Isacoff, Ehud Y

2016-04-01

Allostery provides a critical control over enzyme activity, biasing the catalytic site between inactive and active states. We found that the Ciona intestinalis voltage-sensing phosphatase (Ci-VSP), which modifies phosphoinositide signaling lipids (PIPs), has not one but two sequential active states with distinct substrate specificities, whose occupancy is allosterically controlled by sequential conformations of the voltage-sensing domain (VSD). Using fast fluorescence resonance energy transfer (FRET) reporters of PIPs to monitor enzyme activity and voltage-clamp fluorometry to monitor conformational changes in the VSD, we found that Ci-VSP switches from inactive to a PIP3-preferring active state when the VSD undergoes an initial voltage-sensing motion and then into a second PIP2-preferring active state when the VSD activates fully. This two-step allosteric control over a dual-specificity enzyme enables voltage to shape PIP concentrations in time, and provides a mechanism for the complex modulation of PIP-regulated ion channels, transporters, cell motility, endocytosis and exocytosis.

Allosteric substrate switching in a voltage sensing lipid phosphatase

Science.gov (United States)

Grimm, Sasha S.; Isacoff, Ehud Y.

2016-01-01

Allostery provides a critical control over enzyme activity, biasing the catalytic site between inactive and active states. We find the Ciona intestinalis voltage-sensing phosphatase (Ci-VSP), which modifies phosphoinositide signaling lipids (PIPs), to have not one but two sequential active states with distinct substrate specificities, whose occupancy is allosterically controlled by sequential conformations of the voltage sensing domain (VSD). Using fast FRET reporters of PIPs to monitor enzyme activity and voltage clamp fluorometry to monitor conformational changes in the VSD, we find that Ci-VSP switches from inactive to a PIP3-preferring active state when the VSD undergoes an initial voltage sensing motion and then into a second PIP2-preferring active state when the VSD activates fully. This novel 2-step allosteric control over a dual specificity enzyme enables voltage to shape PIP concentrations in time, and provides a mechanism for the complex modulation of PIP-regulated ion channels, transporters, cell motility and endo/exocytosis. PMID:26878552

Pure antimony film as saturable absorber for Q-switched erbium-doped fiber laser

Science.gov (United States)

Rahman, M. F. A.; Zhalilah, M. Z.; Latiff, A. A.; Rosol, A. H. A.; Lokman, M. Q.; Bushroa, A. R.; Dimyati, K.; Harun, S. W.

2018-04-01

This paper reports on the use of Antimony (Sb) polymer film to generate stable Q-switching pulses in Erbium-doped fiber laser (EDFL) cavity. The SA is fabricated by coating a thin layer of Sb on a polyvinyl alcohol (PVA) film through physical vapour deposition (PVD) process. A 1 × 1 mm area of the film SA is cut and integrated into between two fiber ferrules inside the laser cavity for intra-cavity loss modulation. Self-starting and stable Q-switched pulses are obtained within a pump power range from 60 to 142 mW. Within this range, the repetition rate increases from 70.82 to 98.04 kHz, while pulse width decreases from 7.42 to 5.36 μs. The fundamental frequency signal-to-noise ratio of the pulse signal is 74 dB, which indicates the excellent stability of the pulses. The maximum output power and pulse energy are 8.45 mW and 86.19 nJ, respectively. Our demonstration shows that Sb film SA capable of generating stable pulses train operating at 1.55-micron region.

Workers’ Conformism

Directory of Open Access Journals (Sweden)

Nikolay Ivantchev

2013-10-01

Full Text Available Conformism was studied among 46 workers with different kinds of occupations by means of two modified scales measuring conformity by Santor, Messervey, and Kusumakar (2000 – scale for perceived peer pressure and scale for conformism in antisocial situations. The hypothesis of the study that workers’ conformism is expressed in a medium degree was confirmed partly. More than a half of the workers conform in a medium degree for taking risk, and for the use of alcohol and drugs, and for sexual relationships. More than a half of the respondents conform in a small degree for anti-social activities (like a theft. The workers were more inclined to conform for risk taking (10.9%, then – for the use of alcohol, drugs and for sexual relationships (8.7%, and in the lowest degree – for anti-social activities (6.5%. The workers who were inclined for the use of alcohol and drugs tended also to conform for anti-social activities.

Photo-switch of pulsed Nd:YAG laser

International Nuclear Information System (INIS)

Ketta, W.W.J.

1989-01-01

In this work passive Q-switching and its effect on the output laser beam from a pulsed Nd:YAG laser was studied. This was achieved using the photochemically stable (BDNI) dye after dissolving it in dichloroethane. The absorption spectra of the dye solution and how suitable to use with Nd:YAG laser was also dealt with. Cooling unit for the laser system, a detector to detect the output pulse, and an electronic counter to measure the pulse duration were constructed. In the free-running regime, the divergence angle was measured. The form of the output, its energy, and how it is affected by the pumping energy were also studied. In the Q-switching regime, the relation between output and pumping energies was studied and compared to the same relation under the free-running regime. 5 tabs.; 33 figs.; 57 refs

Conformation radiotherapy and conformal radiotherapy

International Nuclear Information System (INIS)

Morita, Kozo

1999-01-01

In order to coincide the high dose region to the target volume, the 'Conformation Radiotherapy Technique' using the multileaf collimator and the device for 'hollow-out technique' was developed by Prof. S. Takahashi in 1960. This technique can be classified a type of 2D-dynamic conformal RT techniques. By the clinical application of this technique, the late complications of the lens, the intestine and the urinary bladder after radiotherapy for the maxillary cancer and the cervical cancer decreased. Since 1980's the exact position and shape of the tumor and the surrounding normal tissues can be easily obtained by the tremendous development of the CT/MRI imaging technique. As a result, various kinds of new conformal techniques such as the 3D-CRT, the dose intensity modulation, the tomotherapy have been developed since the beginning of 1990'. Several 'dose escalation study with 2D-/3D conformal RT' is now under way to improve the treatment results. (author)

A Tunable Cyclic Container: Guest-Induced Conformational Switching, Efficient Guest Exchange, and Selective Isolation of C70 from a Fullerene Mixture.

Science.gov (United States)

Mondal, Pritam; Rath, Sankar Prasad

2017-07-18

An adaptable cyclic porphyrin dimer with highly flexible linkers has been used as an artificial molecular container that can efficiently encapsulate various aromatic guests (TCNQ/C 60 /C 70 ) through strong π-π interactions by adjusting its cavity size and conformation. The planar aromatic guest (TCNQ) can be easily and selectively exchanged with larger aromatic guests (C 60 /C 70 ). During the guest-exchange process, the two porphyrin rings switch their relative orientation according to the size and shape of the guests. This behavior of the cyclic container has been thoroughly investigated by using UV/Vis spectroscopy, NMR spectroscopy, and X-ray crystal structure determination of the host-guest assemblies. The electrochemical and photophysical studies demonstrated the occurrence of photoinduced electron transfer from bisporphyrin to TCNQ/C 60 /C 70 in the respective host-guest assemblies. The cyclic host can form complexes with C 60 and C 70 with association constants of (2.8±0.2)×10 5 and (1.9±0.3)×10 8  m -1 , respectively; the latter value represents the highest binding affinity for C 70 reported so far for zinc(II) bisporphyrinic receptors. This high selectivity for the binding of C 70 versus C 60 allows the easy extraction and efficient isolation of C 70 from a C 60 /C 70 fullerene mixture. Experimental evidence was substantiated by DFT calculations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Component-Reduced Zero-Voltage Switching Three-Level DC-DC Converter

DEFF Research Database (Denmark)

Qin, Zian; Pang, Ying; Wang, Huai

2016-01-01

The basic Zero-Voltage Switching (ZVS) three-level DC-DC converter has one clamping capacitor to realize the ZVS of the switches, and two clamping diodes to clamp the voltage of the clamping capacitor. In order to reduce the reverse recovery loss of the diode as well as its cost, this paper...... proposes to remove one of the clamping diodes in basic ZVS three-level DC-DC converter. With less components, the proposed converter can still have a stable clamping capacitor voltage, which is clamped at half of the dc link voltage. Moreover, the ZVS performance will be influenced by removing the clamping...

Killing tensors and conformal Killing tensors from conformal Killing vectors

International Nuclear Information System (INIS)

Rani, Raffaele; Edgar, S Brian; Barnes, Alan

2003-01-01

Koutras has proposed some methods to construct reducible proper conformal Killing tensors and Killing tensors (which are, in general, irreducible) when a pair of orthogonal conformal Killing vectors exist in a given space. We give the completely general result demonstrating that this severe restriction of orthogonality is unnecessary. In addition, we correct and extend some results concerning Killing tensors constructed from a single conformal Killing vector. A number of examples demonstrate that it is possible to construct a much larger class of reducible proper conformal Killing tensors and Killing tensors than permitted by the Koutras algorithms. In particular, by showing that all conformal Killing tensors are reducible in conformally flat spaces, we have a method of constructing all conformal Killing tensors, and hence all the Killing tensors (which will in general be irreducible) of conformally flat spaces using their conformal Killing vectors

Conformational changes in hemoglobin triggered by changing the iron charge

International Nuclear Information System (INIS)

Croci, S.; Achterhold, K.; Ortalli, I.; Parak, F. G.

2008-01-01

In this work the hemoglobin conformational changes induced by changing the iron charge have been studied and compared with Myoglobin. Moessbauer spectroscopy was used to follow the change of the iron conformation. In order to compare the conformational relaxation of hemoglobin and myoglobin, and to study a possible influence of the quaternary structure, an intermediate metastable state of hemoglobin has been created by low temperature X-ray irradiation of methemoglobin. The irradiation reduces the Fe(III) of the heme groups to Fe(II) Low Spin, where the water is still bound on the sixth coordination. Heating cycles performed at temperatures from 140 K to 200 K allow the molecules to overcome an activation energy barrier and to relax into a stable conformation such as deoxy-hemoglobin or carboxy-hemoglobin, if CO is present. Slightly different structures (conformational substates) reveal themselves as a distribution of energy barriers (ΔG). The distribution of the activation energy, for the decay of the Fe(II) Low Spin intermediate, has been fitted with a Gaussian. For comparison, published myoglobin data were re-analysed in the same way. The average energy value at characteristic temperature is very similar in case of myoglobin and hemoglobin. The larger Gaussian energy distribution for myoglobin with respect to hemoglobin shows that more conformational substates are available. This may be caused by a larger area exposed to water. In hemoglobin, part of the surface of the chains is not water accessible due to the quaternary structure.

Delay induced stability switch, multitype bistability and chaos in an intraguild predation model.

Science.gov (United States)

Shu, Hongying; Hu, Xi; Wang, Lin; Watmough, James

2015-12-01

In many predator-prey models, delay has a destabilizing effect and induces oscillations; while in many competition models, delay does not induce oscillations. By analyzing a rather simple delayed intraguild predation model, which combines both the predator-prey relation and competition, we show that delay in intraguild predation models promotes very complex dynamics. The delay can induce stability switches exhibiting a destabilizing role as well as a stabilizing role. It is shown that three types of bistability are possible: one stable equilibrium coexists with another stable equilibrium (node-node bistability); one stable equilibrium coexists with a stable periodic solution (node-cycle bistability); one stable periodic solution coexists with another stable periodic solution (cycle-cycle bistability). Numerical simulations suggest that delay can also induce chaos in intraguild predation models.

Patterns of patterns of synchronization: Noise induced attractor switching in rings of coupled nonlinear oscillators

Energy Technology Data Exchange (ETDEWEB)

Emenheiser, Jeffrey [Complexity Sciences Center, University of California, Davis, California 95616 (United States); Department of Physics, University of California, Davis, California 95616 (United States); Chapman, Airlie; Mesbahi, Mehran [William E. Boeing Department of Aeronautics and Astronautics, University of Washington, Seattle, Washington 98195 (United States); Pósfai, Márton [Complexity Sciences Center, University of California, Davis, California 95616 (United States); Department of Computer Science, University of California, Davis, California 95616 (United States); Crutchfield, James P. [Complexity Sciences Center, University of California, Davis, California 95616 (United States); Department of Physics, University of California, Davis, California 95616 (United States); Department of Computer Science, University of California, Davis, California 95616 (United States); Santa Fe Institute, Santa Fe, New Mexico 87501 (United States); D' Souza, Raissa M. [Complexity Sciences Center, University of California, Davis, California 95616 (United States); Department of Computer Science, University of California, Davis, California 95616 (United States); Santa Fe Institute, Santa Fe, New Mexico 87501 (United States); Department of Mechanical and Aerospace Engineering, University of California, Davis, California 95616 (United States)

2016-09-15

Following the long-lived qualitative-dynamics tradition of explaining behavior in complex systems via the architecture of their attractors and basins, we investigate the patterns of switching between distinct trajectories in a network of synchronized oscillators. Our system, consisting of nonlinear amplitude-phase oscillators arranged in a ring topology with reactive nearest-neighbor coupling, is simple and connects directly to experimental realizations. We seek to understand how the multiple stable synchronized states connect to each other in state space by applying Gaussian white noise to each of the oscillators' phases. To do this, we first analytically identify a set of locally stable limit cycles at any given coupling strength. For each of these attracting states, we analyze the effect of weak noise via the covariance matrix of deviations around those attractors. We then explore the noise-induced attractor switching behavior via numerical investigations. For a ring of three oscillators, we find that an attractor-switching event is always accompanied by the crossing of two adjacent oscillators' phases. For larger numbers of oscillators, we find that the distribution of times required to stochastically leave a given state falls off exponentially, and we build an attractor switching network out of the destination states as a coarse-grained description of the high-dimensional attractor-basin architecture.

A scalable block-preconditioning strategy for divergence-conforming B-spline discretizations of the Stokes problem

KAUST Repository

Cortes, Adriano Mauricio; Dalcin, Lisandro; Sarmiento, Adel; Collier, N.; Calo, Victor M.

2016-01-01

The recently introduced divergence-conforming B-spline discretizations allow the construction of smooth discrete velocity-pressure pairs for viscous incompressible flows that are at the same time inf−supinf−sup stable and pointwise divergence

Resistive switching properties and physical mechanism of europium oxide thin films

Energy Technology Data Exchange (ETDEWEB)

Xie, Wei; Zou, Changwei [School of Physical Science and Technology, Lingnan Normal University, Zhanjiang (China); Bao, Dinghua [State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials Science and Engineering, Sun Yat-Sen University, Guangzhou (China)

2017-09-15

A forming-free resistive switching effect was obtained in Pt/Eu{sub 2}O{sub 3}/Pt devices in which the Eu{sub 2}O{sub 3} thin films were fabricated by a chemical solution deposition method. The devices show unipolar resistive switching with excellent switching parameters, such as high resistance ratio (10{sup 7}), stable resistance values (read at 0.2 V), low reset voltage, good endurance, and long retention time (up to 10{sup 4} s). On the basis of the analysis of the current-voltage (I-V) curves and the resistance-temperature dependence, it can be concluded that the dominant conducting mechanisms were ohmic behavior and Schottky emission at low resistance state and high resistance state, respectively. The resistive switching behavior could be explained by the formation and rupture of conductive filament, which is related to the abundant oxygen vacancies generated in the deposition process. This work demonstrates the great potential opportunities of Eu{sub 2}O{sub 3} thin film in resistive switching memory applications, which might possess distinguished properties. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Electron induced conformational changes of an imine-based molecular switch on a Au(111) surface

Energy Technology Data Exchange (ETDEWEB)

Lotze, Christian; Henningsen, Nils; Franke, Katharina; Schulze, Gunnar; Pascual, Jose Ignacio [Inst. f. Experimentalphysik, Freie Universitaet Berlin (Germany); Luo, Ying; Haag, Rainer [Inst. f. Organische Chemie, Freie Universitaet Berlin (Germany)

2009-07-01

Azobenzene-based molecules exhibit a cis-trans configurational photoisomerisation in solution. Recently, the adsorption properties of azobenzene derivatives have been investigated on different metal surfaces in order to explore the possible changes in the film properties induced by external stimuli. In azobenzene, the diazo-bridge is a key group for the isomerization process. Its interaction with a metal surface is dominated through the N lone-pair electrons, which reduces the efficiency of the conformational change. In order to reduce the molecule-surface interaction, we explore an alternative molecular architecture by substituting the diazo-bridge (-N=N-) of azobenzene by an imine-group (-N=CH-). We have investigated the imine-based compound para-carboxyl-di-benzene-imine (PCI) adsorbed on a Au(111) surface. The carboxylic terminations mediates the formation of strongly bonded molecular dimers, which align in ordered rows preferentially following the fcc regions of the Au(111) herringbone reconstruction. Low temperature scanning tunneling microscopy was used to induce conformational changes between trans and cis state of individual molecules in a molecular monolayer.

Controlled lid-opening in Thermomyces lanuginosus lipase- An engineered switch for studying lipase function

DEFF Research Database (Denmark)

Skjold-Jørgensen, Jakob; Vind, Jesper; Moroz, Olga V.

2017-01-01

Here, we present a lipase mutant containing a biochemical switch allowing a controlled opening and closing of the lid independent of the environment. The closed form of the TlL mutant shows low binding to hydrophobic surfaces compared to the binding observed after activating the controlled switch...... inducing lid-opening. We directly show that lipid binding of this mutant is connected to an open lid conformation demonstrating the impact of the exposed amino acid residues and their participation in binding at the water-lipid interface. The switch was created by introducing two cysteine residues......-D measurements revealed a seven-fold increase in binding rate for the unlocked lipase. The TlL_locked mutant shows structural changes across the protein important for understanding the mechanism of lid-opening and closing. Our experimental results reveal sites of interest for future mutagenesis studies aimed...

Lipid Regulated Intramolecular Conformational Dynamics of SNARE-Protein Ykt6

Science.gov (United States)

Dai, Yawei; Seeger, Markus; Weng, Jingwei; Song, Song; Wang, Wenning; Tan, Yan-Wen

2016-08-01

Cellular informational and metabolic processes are propagated with specific membrane fusions governed by soluble N-ethylmaleimide sensitive factor attachment protein receptors (SNARE). SNARE protein Ykt6 is highly expressed in brain neurons and plays a critical role in the membrane-trafficking process. Studies suggested that Ykt6 undergoes a conformational change at the interface between its longin domain and the SNARE core. In this work, we study the conformational state distributions and dynamics of rat Ykt6 by means of single-molecule Förster Resonance Energy Transfer (smFRET) and Fluorescence Cross-Correlation Spectroscopy (FCCS). We observed that intramolecular conformational dynamics between longin domain and SNARE core occurred at the timescale ~200 μs. Furthermore, this dynamics can be regulated and even eliminated by the presence of lipid dodecylphoshpocholine (DPC). Our molecular dynamic (MD) simulations have shown that, the SNARE core exhibits a flexible structure while the longin domain retains relatively stable in apo state. Combining single molecule experiments and theoretical MD simulations, we are the first to provide a quantitative dynamics of Ykt6 and explain the functional conformational change from a qualitative point of view.

Overnight switching from oxcarbazepine to eslicarbazepine acetate: an observational study.

Science.gov (United States)

Schmid, E; Kuchukhidze, G; Kirschner, M; Leitinger, M; Höfler, J; Rohracher, A; Kalss, G; Wendling, A-S; Steinhoff, B J; Trinka, E

2017-04-01

There are clinical situations where it might be appropriate to switch patients from immediate-release oxcarbazepine (OXC) to eslicarbazepine acetate (ESL). We investigated the effects of transitioning patients overnight from OXC to ESL. A retrospective, single-center study was conducted in which patients with drug-resistant focal epilepsy on a stable dose of immediate-release OXC for at least 4 weeks were switched overnight to ESL. Patients were switched because they experienced persistent seizures with OXC but were unable to tolerate increased OXC dosing due to adverse events. Tolerability was assessed using the Adverse Events Profile (AEP), quality of life was assessed using the Quality of Life in Epilepsy Inventory 10 (QOLIE-10), and alertness was assessed as reaction time using a subtest of the Test Battery for Attention Performance version 2.3. Assessments were performed immediately prior to and 5 days after switching from OXC to ESL (days 0 and 5, respectively). The analysis included 21 patients (12 women, 9 men; mean age 36 years). After switching from OXC to ESL, there were significant improvements in mean scores for AEP (Peffects, quality of life, and alertness. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Particle dynamics around time conformal regular black holes via Noether symmetries

Science.gov (United States)

Jawad, Abdul; Umair Shahzad, M.

The time conformal regular black hole (RBH) solutions which are admitting the time conformal factor e𝜖g(t), where g(t) is an arbitrary function of time and 𝜖 is the perturbation parameter are being considered. The approximate Noether symmetries technique is being used for finding the function g(t) which leads to t α. The dynamics of particles around RBHs are also being discussed through symmetry generators which provide approximate energy as well as angular momentum of the particles. In addition, we analyze the motion of neutral and charged particles around two well known RBHs such as charged RBH using Fermi-Dirac distribution and Kehagias-Sftesos asymptotically flat RBH. We obtain the innermost stable circular orbit and corresponding approximate energy and angular momentum. The behavior of effective potential, effective force and escape velocity of the particles in the presence/absence of magnetic field for different values of angular momentum near horizons are also being analyzed. The stable and unstable regions of particle near horizons due to the effect of angular momentum and magnetic field are also explained.

An electronic channel switching-based aptasensor for ultrasensitive protein detection

Energy Technology Data Exchange (ETDEWEB)

Li Hongbo; Wang Cui [State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Wu Zaisheng, E-mail: wuzaisheng@163.com [State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Lu Limin; Qiu Liping; Zhou Hui; Shen Guoli [State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); Yu Ruqin, E-mail: rqyu@hnu.edu.cn [State Key Laboratory for Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China)

2013-01-03

Highlights: Black-Right-Pointing-Pointer Target IgE is successfully designed to serve as a barrier to separate enzyme from its substrate. Black-Right-Pointing-Pointer This sensing platform of electronic channel switching-based aptasensor can be simply manipulated. Black-Right-Pointing-Pointer The stable hairpin structure of anti-IgE aptamer is utilized to detect target IgE. Black-Right-Pointing-Pointer The sensor is ultrasensitive sensitivity, excellent selectivity and small volume of sample. Black-Right-Pointing-Pointer It is a powerful platform to be further expanded to detect more kinds of proteins and even cells. - Abstract: Due to the ubiquity and essential of the proteins in all living organisms, the identification and quantification of disease-specific proteins are particularly important. Because the conformational change of aptamer upon its target or probe/target/probe sandwich often is the primary prerequisite for the design of an electrochemical aptameric assay system, it is extremely difficult to construct the electrochemical aptasensor for protein assay because the corresponding aptamers cannot often meet the requirement. To circumvent the obstacles mentioned, an electronic channel switching-based (ECS) aptasensor for ultrasensitive protein detection is developed. The essential achievement made is that an innovative sensing concept is proposed: the hairpin structure of aptamer is designed to pull electroactive species toward electrode surface and makes the surface-immobilized IgE serve as a barrier that separates enzyme from its substrate. It seemingly ensures that the ECS aptasensor exhibits most excellent assay features, such as, a detection limit of 4.44 Multiplication-Sign 10{sup -6} {mu}g mL{sup -1} (22.7 fM, 220 zmol in 10-{mu}L sample) (demonstrating a 5 orders of magnitude improvement in detection sensitivity compared with classical electronic aptasensors) and dynamic response range from 4.44 Multiplication-Sign 10{sup -6} to 4.44 Multiplication

The limiting dynamics of a bistable molecular switch with and without noise.

Science.gov (United States)

Mackey, Michael C; Tyran-Kamińska, Marta

2016-08-01

We consider the dynamics of a population of organisms containing two mutually inhibitory gene regulatory networks, that can result in a bistable switch-like behaviour. We completely characterize their local and global dynamics in the absence of any noise, and then go on to consider the effects of either noise coming from bursting (transcription or translation), or Gaussian noise in molecular degradation rates when there is a dominant slow variable in the system. We show analytically how the steady state distribution in the population can range from a single unimodal distribution through a bimodal distribution and give the explicit analytic form for the invariant stationary density which is globally asymptotically stable. Rather remarkably, the behaviour of the stationary density with respect to the parameters characterizing the molecular behaviour of the bistable switch is qualitatively identical in the presence of noise coming from bursting as well as in the presence of Gaussian noise in the degradation rate. This implies that one cannot distinguish between either the dominant source or nature of noise based on the stationary molecular distribution in a population of cells. We finally show that the switch model with bursting but two dominant slow genes has an asymptotically stable stationary density.

Characteristics of multilevel storage and switching dynamics in resistive switching cell of Al2O3/HfO2/Al2O3 sandwich structure

Science.gov (United States)

Liu, Jian; Yang, Huafeng; Ma, Zhongyuan; Chen, Kunji; Zhang, Xinxin; Huang, Xinfan; Oda, Shunri

2018-01-01

We reported an Al2O3/HfO2/Al2O3 sandwich structure resistive switching device with significant improvement of multilevel cell (MLC) operation capability, which exhibited that four stable and distinct resistance states (one low resistance state and three high resistance states) can be achieved by controlling the Reset stop voltages (V Reset-stop) during the Reset operation. The improved MLC operation capability can be attributed to the R HRS/R LRS ratio enhancement resulting from increasing of the series resistance and decreasing of leakage current by inserting two Al2O3 layers. For the high-speed switching applications, we studied the initial switching dynamics by using the measurements of the pulse width and amplitude dependence of Set and Reset switching characteristics. The results showed that under the same pulse amplitude conditions, the initial Set progress is faster than the initial Reset progress, which can be explained by thermal-assisted electric field induced rupture model in the oxygen vacancies conductive filament. Thus, proper combination of varying pulse amplitude and width can help us to optimize the device operation parameters. Moreover, the device demonstrated ultrafast program/erase speed (10 ns) and good pulse switching endurance (105 cycles) characteristics, which are suitable for high-density and fast-speed nonvolatile memory applications.

Phase diagrams and switching of voltage and magnetic field in dilute magnetic semiconductor nanostructures

Energy Technology Data Exchange (ETDEWEB)

Escobedo, R. [Departamento de Matematica Aplicada y Ciencias de la Computacion, Universidad de Cantabria, 39005 Santander (Spain); Carretero, M.; Bonilla, L.L. [G. Millan Institute, Fluid Dynamics, Nanoscience and Industrial Maths., Universidad Carlos III de Madrid, 28911 Leganes (Spain); Unidad Asociada al Instituto de Ciencia de Materiales, CSIC, 28049 Cantoblanco, Madrid (Spain); Platero, G. [Instituto de Ciencia de Materiales, CSIC, 28049 Cantoblanco, Madrid (Spain)

2010-04-15

The response of an n-doped dc voltage biased II-VI multi-quantum well dilute magnetic semiconductor nanostructure having its first well doped with magnetic (Mn) impurities is analyzed by sweeping wide ranges of both the voltage and the Zeeman level splitting induced by an external magnetic field. The level splitting versus voltage phase diagram shows regions of stable self-sustained current oscillations immersed in a region of stable stationary states. Transitions between stationary states and self-sustained current oscillations are systematically analyzed by both voltage and level splitting abrupt switching. Sudden voltage or/and magnetic field changes may switch on current oscillations from an initial stationary state, and reciprocally, current oscillations may disappear after sudden changes of voltage or/and magnetic field changes into the stable stationary states region. The results show how to design such a device to operate as a spin injector and a spin oscillator by tuning the Zeeman splitting (through the applied external magnetic field), the applied voltage and the sample configuration parameters (doping density, barrier and well widths, etc.) to select the desired stationary or oscillatory behavior. Phase diagram of Zeeman level splitting {delta} vs. dimensionless applied voltage {phi} for N = 10 QWs. White region: stable stationary states; black: stable self-sustained current oscillations. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Replacement between conformity and counter-conformity in consumption decisions.

Science.gov (United States)

Chou, Ting-Jui; Chang, En-Chung; Dai, Qi; Wong, Veronica

2013-02-01

This study assessed, in a Chinese context, how self-esteem interacts with perceived similarity and uniqueness to yield cognitive dissonance, and whether the dissonance leads to self-reported conformity or counter-conformity behavior. Participants were 408 respondents from 4 major Chinese cities (M age = 33.0 yr., SD = 4.3; 48% men). Self-perceptions of uniqueness, similarity, cognitive dissonance, self-esteem and need to behave in conformity or counter-conformity were measured. A theoretical model was assessed in four situations, relating the ratings of self-esteem and perceived similarity/uniqueness to the way other people at a wedding were dressed, and the resultant cognitive dissonance and conformity/ counter-conformity behavior. Regardless of high or low self-esteem, all participants reported cognitive dissonance when they were told that they were dressed extremely similarly to or extremely differently from the other people attending the wedding. However, the conforming/counter-conforming strategies used by participants to resolve the cognitive dissonance differed. When encountering dissonance induced by the perceived extreme uniqueness of dress, participants with low self-esteem tended to say they would dress next time so as to conform with the way others were dressed, while those with high self-esteem indicated they would continue their counter-conformity in attire. When encountering dissonance induced by the perceived extreme similarity to others, both those with high and low self-esteem tended to say they would dress in an unorthodox manner to surprise other people in the future.

Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis

DEFF Research Database (Denmark)

Villa, Elizabeth; Sengupta, Jayati; Trabuco, Leonard G.

2009-01-01

In translation, elongation factor Tu (EF-Tu) molecules deliver aminoacyl-tRNAs to the mRNA-programmed ribosome. The GTPase activity of EF-Tu is triggered by ribosome-induced conformational changes of the factor that play a pivotal role in the selection of the cognate aminoacyl-tRNAs. We present a 6.......7-A cryo-electron microscopy map of the aminoacyl-tRNA x EF-Tu x GDP x kirromycin-bound Escherichia coli ribosome, together with an atomic model of the complex obtained through molecular dynamics flexible fitting. The model reveals the conformational changes in the conserved GTPase switch regions...... of EF-Tu that trigger hydrolysis of GTP, along with key interactions, including those between the sarcin-ricin loop and the P loop of EF-Tu, and between the effector loop of EF-Tu and a conserved region of the 16S rRNA. Our data suggest that GTP hydrolysis on EF-Tu is controlled through a hydrophobic...

Conformation and stability of intramolecular telomeric G-quadruplexes: sequence effects in the loops.

Directory of Open Access Journals (Sweden)

Giovanna Sattin

Full Text Available Telomeres are guanine-rich sequences that protect the ends of chromosomes. These regions can fold into G-quadruplex structures and their stabilization by G-quadruplex ligands has been employed as an anticancer strategy. Genetic analysis in human telomeres revealed extensive allelic variation restricted to loop bases, indicating that the variant telomeric sequences maintain the ability to fold into G-quadruplex. To assess the effect of mutations in loop bases on G-quadruplex folding and stability, we performed a comprehensive analysis of mutant telomeric sequences by spectroscopic techniques, molecular dynamics simulations and gel electrophoresis. We found that when the first position in the loop was mutated from T to C or A the resulting structure adopted a less stable antiparallel topology; when the second position was mutated to C or A, lower thermal stability and no evident conformational change were observed; in contrast, substitution of the third position from A to C induced a more stable and original hybrid conformation, while mutation to T did not significantly affect G-quadruplex topology and stability. Our results indicate that allelic variations generate G-quadruplex telomeric structures with variable conformation and stability. This aspect needs to be taken into account when designing new potential anticancer molecules.

Characterizing protein conformations by correlation analysis of coarse-grained contact matrices

Science.gov (United States)

Lindsay, Richard J.; Siess, Jan; Lohry, David P.; McGee, Trevor S.; Ritchie, Jordan S.; Johnson, Quentin R.; Shen, Tongye

2018-01-01

We have developed a method to capture the essential conformational dynamics of folded biopolymers using statistical analysis of coarse-grained segment-segment contacts. Previously, the residue-residue contact analysis of simulation trajectories was successfully applied to the detection of conformational switching motions in biomolecular complexes. However, the application to large protein systems (larger than 1000 amino acid residues) is challenging using the description of residue contacts. Also, the residue-based method cannot be used to compare proteins with different sequences. To expand the scope of the method, we have tested several coarse-graining schemes that group a collection of consecutive residues into a segment. The definition of these segments may be derived from structural and sequence information, while the interaction strength of the coarse-grained segment-segment contacts is a function of the residue-residue contacts. We then perform covariance calculations on these coarse-grained contact matrices. We monitored how well the principal components of the contact matrices is preserved using various rendering functions. The new method was demonstrated to assist the reduction of the degrees of freedom for describing the conformation space, and it potentially allows for the analysis of a system that is approximately tenfold larger compared with the corresponding residue contact-based method. This method can also render a family of similar proteins into the same conformational space, and thus can be used to compare the structures of proteins with different sequences.

EBV Latency Types Adopt Alternative Chromatin Conformations

Science.gov (United States)

Tempera, Italo; Klichinsky, Michael; Lieberman, Paul M.

2011-01-01

Epstein-Barr Virus (EBV) can establish latent infections with distinct gene expression patterns referred to as latency types. These different latency types are epigenetically stable and correspond to different promoter utilization. Here we explore the three-dimensional conformations of the EBV genome in different latency types. We employed Chromosome Conformation Capture (3C) assay to investigate chromatin loop formation between the OriP enhancer and the promoters that determine type I (Qp) or type III (Cp) gene expression. We show that OriP is in close physical proximity to Qp in type I latency, and to Cp in type III latency. The cellular chromatin insulator and boundary factor CTCF was implicated in EBV chromatin loop formation. Combining 3C and ChIP assays we found that CTCF is physically associated with OriP-Qp loop formation in type I and OriP-Cp loop formation in type III latency. Mutations in the CTCF binding site located at Qp disrupt loop formation between Qp and OriP, and lead to the activation of Cp transcription. Mutation of the CTCF binding site at Cp, as well as siRNA depletion of CTCF eliminates both OriP-associated loops, indicating that CTCF plays an integral role in loop formation. These data indicate that epigenetically stable EBV latency types adopt distinct chromatin architectures that depend on CTCF and mediate alternative promoter targeting by the OriP enhancer. PMID:21829357

EBV latency types adopt alternative chromatin conformations.

Directory of Open Access Journals (Sweden)

Italo Tempera

2011-07-01

Full Text Available Epstein-Barr Virus (EBV can establish latent infections with distinct gene expression patterns referred to as latency types. These different latency types are epigenetically stable and correspond to different promoter utilization. Here we explore the three-dimensional conformations of the EBV genome in different latency types. We employed Chromosome Conformation Capture (3C assay to investigate chromatin loop formation between the OriP enhancer and the promoters that determine type I (Qp or type III (Cp gene expression. We show that OriP is in close physical proximity to Qp in type I latency, and to Cp in type III latency. The cellular chromatin insulator and boundary factor CTCF was implicated in EBV chromatin loop formation. Combining 3C and ChIP assays we found that CTCF is physically associated with OriP-Qp loop formation in type I and OriP-Cp loop formation in type III latency. Mutations in the CTCF binding site located at Qp disrupt loop formation between Qp and OriP, and lead to the activation of Cp transcription. Mutation of the CTCF binding site at Cp, as well as siRNA depletion of CTCF eliminates both OriP-associated loops, indicating that CTCF plays an integral role in loop formation. These data indicate that epigenetically stable EBV latency types adopt distinct chromatin architectures that depend on CTCF and mediate alternative promoter targeting by the OriP enhancer.

Activator Protein-1: redox switch controlling structure and DNA-binding

Energy Technology Data Exchange (ETDEWEB)

Yin, Zhou; Machius, Mischa; Nestler, Eric J.; Rudenko, Gabby (Texas-MED); (Icahn)

2017-09-07

The transcription factor, activator protein-1 (AP-1), binds to cognate DNA under redox control; yet, the underlying mechanism has remained enigmatic. A series of crystal structures of the AP-1 FosB/JunD bZIP domains reveal ordered DNA-binding regions in both FosB and JunD even in absence DNA. However, while JunD is competent to bind DNA, the FosB bZIP domain must undergo a large conformational rearrangement that is controlled by a ‘redox switch’ centered on an inter-molecular disulfide bond. Solution studies confirm that FosB/JunD cannot undergo structural transition and bind DNA when the redox-switch is in the ‘OFF’ state, and show that the mid-point redox potential of the redox switch affords it sensitivity to cellular redox homeostasis. The molecular and structural studies presented here thus reveal the mechanism underlying redox-regulation of AP-1 Fos/Jun transcription factors and provide structural insight for therapeutic interventions targeting AP-1 proteins.

A three-level support method for smooth switching of the micro-grid operation model

Science.gov (United States)

Zong, Yuanyang; Gong, Dongliang; Zhang, Jianzhou; Liu, Bin; Wang, Yun

2018-01-01

Smooth switching of micro-grid between the grid-connected operation mode and off-grid operation mode is one of the key technologies to ensure it runs flexible and efficiently. The basic control strategy and the switching principle of micro-grid are analyzed in this paper. The reasons for the fluctuations of the voltage and the frequency in the switching process are analyzed from views of power balance and control strategy, and the operation mode switching strategy has been improved targeted. From the three aspects of controller’s current inner loop reference signal, voltage outer loop control strategy optimization and micro-grid energy balance management, a three-level security strategy for smooth switching of micro-grid operation mode is proposed. From the three aspects of controller’s current inner loop reference signal tracking, voltage outer loop control strategy optimization and micro-grid energy balance management, a three-level strategy for smooth switching of micro-grid operation mode is proposed. At last, it is proved by simulation that the proposed control strategy can make the switching process smooth and stable, the fluctuation problem of the voltage and frequency has been effectively improved.

Mechanical unfolding reveals stable 3-helix intermediates in talin and α-catenin.

Directory of Open Access Journals (Sweden)

Vasyl V Mykuliak

2018-04-01

Full Text Available Mechanical stability is a key feature in the regulation of structural scaffolding proteins and their functions. Despite the abundance of α-helical structures among the human proteome and their undisputed importance in health and disease, the fundamental principles of their behavior under mechanical load are poorly understood. Talin and α-catenin are two key molecules in focal adhesions and adherens junctions, respectively. In this study, we used a combination of atomistic steered molecular dynamics (SMD simulations, polyprotein engineering, and single-molecule atomic force microscopy (smAFM to investigate unfolding of these proteins. SMD simulations revealed that talin rod α-helix bundles as well as α-catenin α-helix domains unfold through stable 3-helix intermediates. While the 5-helix bundles were found to be mechanically stable, a second stable conformation corresponding to the 3-helix state was revealed. Mechanically weaker 4-helix bundles easily unfolded into a stable 3-helix conformation. The results of smAFM experiments were in agreement with the findings of the computational simulations. The disulfide clamp mutants, designed to protect the stable state, support the 3-helix intermediate model in both experimental and computational setups. As a result, multiple discrete unfolding intermediate states in the talin and α-catenin unfolding pathway were discovered. Better understanding of the mechanical unfolding mechanism of α-helix proteins is a key step towards comprehensive models describing the mechanoregulation of proteins.

Mixed H∞ and passive control for linear switched systems via hybrid control approach

Science.gov (United States)

Zheng, Qunxian; Ling, Youzhu; Wei, Lisheng; Zhang, Hongbin

2018-03-01

This paper investigates the mixed H∞ and passive control problem for linear switched systems based on a hybrid control strategy. To solve this problem, first, a new performance index is proposed. This performance index can be viewed as the mixed weighted H∞ and passivity performance. Then, the hybrid controllers are used to stabilise the switched systems. The hybrid controllers consist of dynamic output-feedback controllers for every subsystem and state updating controllers at the switching instant. The design of state updating controllers not only depends on the pre-switching subsystem and the post-switching subsystem, but also depends on the measurable output signal. The hybrid controllers proposed in this paper can include some existing ones as special cases. Combine the multiple Lyapunov functions approach with the average dwell time technique, new sufficient conditions are obtained. Under the new conditions, the closed-loop linear switched systems are globally uniformly asymptotically stable with a mixed H∞ and passivity performance index. Moreover, the desired hybrid controllers can be constructed by solving a set of linear matrix inequalities. Finally, a numerical example and a practical example are given.

Stochastic switching in biology: from genotype to phenotype

International Nuclear Information System (INIS)

Bressloff, Paul C

2017-01-01

There has been a resurgence of interest in non-equilibrium stochastic processes in recent years, driven in part by the observation that the number of molecules (genes, mRNA, proteins) involved in gene expression are often of order 1–1000. This means that deterministic mass-action kinetics tends to break down, and one needs to take into account the discrete, stochastic nature of biochemical reactions. One of the major consequences of molecular noise is the occurrence of stochastic biological switching at both the genotypic and phenotypic levels. For example, individual gene regulatory networks can switch between graded and binary responses, exhibit translational/transcriptional bursting, and support metastability (noise-induced switching between states that are stable in the deterministic limit). If random switching persists at the phenotypic level then this can confer certain advantages to cell populations growing in a changing environment, as exemplified by bacterial persistence in response to antibiotics. Gene expression at the single-cell level can also be regulated by changes in cell density at the population level, a process known as quorum sensing. In contrast to noise-driven phenotypic switching, the switching mechanism in quorum sensing is stimulus-driven and thus noise tends to have a detrimental effect. A common approach to modeling stochastic gene expression is to assume a large but finite system and to approximate the discrete processes by continuous processes using a system-size expansion. However, there is a growing need to have some familiarity with the theory of stochastic processes that goes beyond the standard topics of chemical master equations, the system-size expansion, Langevin equations and the Fokker–Planck equation. Examples include stochastic hybrid systems (piecewise deterministic Markov processes), large deviations and the Wentzel–Kramers–Brillouin (WKB) method, adiabatic reductions, and queuing/renewal theory. The major aim of

Can task-switching training enhance executive control functioning in children with attention deficit/-hyperactivity disorder?

Science.gov (United States)

Kray, Jutta; Karbach, Julia; Haenig, Susann; Freitag, Christine

2011-01-01

The key cognitive impairments of children with attention deficit/-hyperactivity disorder (ADHD) include executive control functions such as inhibitory control, task-switching, and working memory (WM). In this training study we examined whether task-switching training leads to improvements in these functions. Twenty children with combined type ADHD and stable methylphenidate medication performed a single-task and a task-switching training in a crossover training design. The children were randomly assigned to one of two groups. One group started with the single-task training and then performed the task-switching training and the other group vice versa. The effectiveness of the task-switching training was measured as performance improvements (relative to the single-task training) on a structurally similar but new switching task and on other executive control tasks measuring inhibitory control and verbal WM as well as on fluid intelligence (reasoning). The children in both groups showed improvements in task-switching, that is, a reduction of switching costs, but not in performing the single-tasks across four training sessions. Moreover, the task-switching training lead to selective enhancements in task-switching performance, that is, the reduction of task-switching costs was found to be larger after task-switching than after single-task training. Similar selective improvements were observed for inhibitory control and verbal WM, but not for reasoning. Results of this study suggest that task-switching training is an effective cognitive intervention that helps to enhance executive control functioning in children with ADHD.

Nonvolatile resistive switching in metal/La-doped BiFeO3/Pt sandwiches.

Science.gov (United States)

Li, Mi; Zhuge, Fei; Zhu, Xiaojian; Yin, Kuibo; Wang, Jinzhi; Liu, Yiwei; He, Congli; Chen, Bin; Li, Run-Wei

2010-10-22

The resistive switching (RS) characteristics of a Bi(0.95)La(0.05)FeO(3) (La-BFO) film sandwiched between a Pt bottom electrode and top electrodes (TEs) made of Al, Ag, Cu, and Au have been studied. Devices with TEs made of Ag and Cu showed stable bipolar RS behaviors, whereas those with TEs made of Al and Au exhibited unstable bipolar RS. The Ag/La-BFO/Pt structure showed an on/off ratio of 10(2), a retention time > 10(5) s, and programming voltages TEs under a bias voltage. The maximum current before the reset process (on-to-off switching) was found to increase linearly with the current compliance applied during the set process (off-to-on switching).

Design of a high-power Nd:YAG Q-switched laser cavity

Science.gov (United States)

Singh, Ikbal; Kumar, Avinash; Nijhawan, O. P.

1995-06-01

An electro-optically Q-switched Nd:YAG laser resonator that uses two end prisms placed orthogonally perpendicular to each other has been designed. This configuration improves the stability of the resonator and does not alter the characteristics of the electro-optical Q switch. The outcoupling ratio of the cavity is optimized by a change in the azimuthal angle of a phase-matched Porro prism placed at one end of the cavity. The prism placed at the other end of the cavity is designed so that it introduces a phase change of Pi , regardless of its orientation and index of refraction, resulting in a more efficient and stable cavity.

An SIS model for cultural trait transmission with conformity bias.

Science.gov (United States)

Walters, Caroline E; Kendal, Jeremy R

2013-12-01

Epidemiological models have been applied to human health-related behaviors that are affected by social interaction. Typically these models have not considered conformity bias, that is, the exaggerated propensity to adopt commonly observed behaviors or opinions, or content biases, where the content of the learned trait affects the probability of adoption. Here we consider an interaction of these two effects, presenting an SIS-type model for the spread and persistence of a behavior which is transmitted via social learning. Uptake is controlled by a nonlinear dependence on the proportion of individuals demonstrating the behavior in a population. Three equilibrium solutions are found, their linear stability is analyzed and the results are compared with a model for unbiased social learning. Our analysis focuses on the effects of the strength of conformity bias and the effects of content biases which alter a conformity threshold frequency of the behavior, above which there is an exaggerated propensity for adoption. The strength of the conformity bias is found to qualitatively alter the predictions regarding whether the trait becomes endemic within the population and the proportion of individuals who display the trait when it is endemic. As the conformity strength increases, the number of feasible equilibrium solutions increases from two to three, leading to a situation where the stable equilibrium attained is dependent upon the initial state. Varying the conformity threshold frequency directionally alters the behavior invasion threshold. Finally we discuss the possible application of this model to binge drinking behavior. Copyright © 2013 Elsevier Inc. All rights reserved.

Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras

Energy Technology Data Exchange (ETDEWEB)

Xu, Shenyuan; Long, Brian N.; Boris, Gabriel H.; Chen, Anqi; Ni, Shuisong; Kennedy, Michael A.

2017-11-10

K-Ras, a molecular switch that regulates cell growth, apoptosis and metabolism, is activated when it undergoes a conformation change upon binding GTP and is deactivated following the hydrolysis of GTP to GDP. Hydrolysis of GTP in water is accelerated by coordination to K-Ras, where GTP adopts a high-energy conformation approaching the transition state. The G12A mutation reduces intrinsic K-Ras GTP hydrolysis by an unexplained mechanism. Here, crystal structures of G12A K-Ras in complex with GDP, GTP, GTPγS and GppNHp, and of Q61A K-Ras in complex with GDP, are reported. In the G12A K-Ras–GTP complex, the switch I region undergoes a significant reorganization such that the Tyr32 side chain points towards the GTP-binding pocket and forms a hydrogen bond to the GTP γ-phosphate, effectively stabilizing GTP in its precatalytic state, increasing the activation energy required to reach the transition state and contributing to the reduced intrinsic GTPase activity of G12A K-Ras mutants.

Conformal house

DEFF Research Database (Denmark)

Ryttov, Thomas Aaby; Sannino, Francesco

2010-01-01

fixed point. As a consistency check we recover the previously investigated bounds of the conformal windows when restricting to a single matter representation. The earlier conformal windows can be imagined to be part now of the new conformal house. We predict the nonperturbative anomalous dimensions...... at the infrared fixed points. We further investigate the effects of adding mass terms to the condensates on the conformal house chiral dynamics and construct the simplest instanton induced effective Lagrangian terms...

Azobenzenes as light-controlled molecular electronic switches in nanoscale metal-molecule-metal junctions.

Science.gov (United States)

Mativetsky, Jeffrey M; Pace, Giuseppina; Elbing, Mark; Rampi, Maria A; Mayor, Marcel; Samorì, Paolo

2008-07-23

Conductance switching associated with the photoisomerization of azobenzene-based (Azo) molecules was observed in nanoscopic metal-molecule-metal junctions. The junctions were formed by using a conducting atomic force microscope (C-AFM) approach, where a metallic AFM tip was used to electrically contact a gold-supported Azo self-assembled monolayer. The measured 30-fold increase in conductance is consistent with the expected decrease in tunneling barrier length resulting from the conformational change of the Azo molecule.

Atomic cranks and levers control sugar ring conformations

International Nuclear Information System (INIS)

Zhang Qingmin; Lee, Gwangrog; Marszalek, Piotr E

2005-01-01

In this paper we review the conformational analysis of sugar rings placed under tension during mechanical manipulations of single polysaccharide molecules with the atomic force microscope and during steered molecular dynamics simulations. We examine the role of various chemical bonds and linkages between sugar rings in inhibiting or promoting their conformational transitions by means of external forces. Small differences in the orientation of one chemical bond on the sugar ring can produce significantly different mechanical properties at the polymer level as exemplified by two polysaccharides: cellulose, composed of β-1→4-linked D-glucose, and amylose, composed of α-1→4-linked D-glucose. In contrast to β-glucose rings, which are mechanically stable and produce simple entropic elasticity of the chain, α-glucose rings flip under tension from their chair to a boat-like structure and these transitions produce deviations of amylose elasticity from the freely jointed chain model. We also examine the deformation of two mechanically complementary 1→6-linked polysaccharides: pustulan, a β-1→6-linked glucan, and dextran, a α-1→6-linked glucan. Forced rotations about the C 5 -C 6 bonds govern the elasticity of pustulan, and complex conformational transitions that involve simultaneous C 5 -C 6 rotations and chair-boat transitions govern the elasticity of dextran. Finally, we discuss the likelihood of various conformational transitions in sugar rings in biological settings and speculate on their significance

Homogeneous Stabilizer by State Feedback for Switched Nonlinear Systems Using Multiple Lyapunov Functions’ Approach

Directory of Open Access Journals (Sweden)

Hui Ye

2017-01-01

Full Text Available This paper investigates the problem of global stabilization for a class of switched nonlinear systems using multiple Lyapunov functions (MLFs. The restrictions on nonlinearities are neither linear growth condition nor Lipschitz condition with respect to system states. Based on adding a power integrator technique, we design homogeneous state feedback controllers of all subsystems and a switching law to guarantee that the closed-loop system is globally asymptotically stable. Finally, an example is given to illustrate the validity of the proposed control scheme.

Energy reversible switching from amorphous metal based nanoelectromechanical switch

KAUST Repository

Mayet, Abdulilah M.; Smith, Casey; Hussain, Muhammad Mustafa

2013-01-01

We report observation of energy reversible switching from amorphous metal based nanoelectromechanical (NEM) switch. For ultra-low power electronics, NEM switches can be used as a complementary switching element in many nanoelectronic system applications. Its inherent zero power consumption because of mechanical detachment is an attractive feature. However, its operating voltage needs to be in the realm of 1 volt or lower. Appropriate design and lower Young's modulus can contribute achieving lower operating voltage. Therefore, we have developed amorphous metal with low Young's modulus and in this paper reporting the energy reversible switching from a laterally actuated double electrode NEM switch. © 2013 IEEE.

Energy reversible switching from amorphous metal based nanoelectromechanical switch

KAUST Repository

Mayet, Abdulilah M.

2013-08-01

We report observation of energy reversible switching from amorphous metal based nanoelectromechanical (NEM) switch. For ultra-low power electronics, NEM switches can be used as a complementary switching element in many nanoelectronic system applications. Its inherent zero power consumption because of mechanical detachment is an attractive feature. However, its operating voltage needs to be in the realm of 1 volt or lower. Appropriate design and lower Young\\'s modulus can contribute achieving lower operating voltage. Therefore, we have developed amorphous metal with low Young\\'s modulus and in this paper reporting the energy reversible switching from a laterally actuated double electrode NEM switch. © 2013 IEEE.

Microstructure evolution characteristics induced by oxygen vacancy generation in anatase TiO2 based resistive switching devices

Science.gov (United States)

Liu, Chen; Gao, Bin; Huang, Peng; Kang, Jinfeng

2017-03-01

In this work, first principle calculations are employed to study the microstructure characteristics of the anatase TiO2 resistive switching material associated with the generation of oxygen vacancy (V o) based nanofilaments during the switching process. The calculations indicate that both the magnéli phase Ti4O7 and V o-defect phase of anatase TiO2 may be formed with the generation of oxygen vacancies during the forming and SET processes. Based on the calculations, a new physical insight is proposed to clarify the microstructure evolution characteristics of the anatase TiO2 resistive switching material and the correlation with resistive switching behaviors. During the forming or SET process, the anatase TiO2 is first excited to a transition state with the generation of oxygen vacancies, then fully relaxes to a stable V o-defect state. This V o-defect state may either recover to the original state with the recombination of the oxygen vacancies, which causes the reversible resistive switching behavior, or further transform to a much more stable state—the magnéli phase Ti4O7, through a phase transition process with the generation of many more oxygen vacancies. The phase transition from V o- defective anatase phase to magnéli phase Ti4O7 causes the failure of the resistive switching due to the significantly reduced possibility of the reversible phase transition from the magnéli phase to the anatase phase, compared with the possibility of the recombination from the V o-defective anatase.

Manipulation of Origin of Life Molecules: Recognizing Single-Molecule Conformations in β-Carotene and Chlorophyll-a/β-Carotene Clusters

Energy Technology Data Exchange (ETDEWEB)

Ngo, Anh T.; Skeini, Timur [Nanoscale; amp, Quantum Phenomena Institute and Physics & amp, Astronomy Department, Ohio University, Athens, Ohio 45701, United States; Iancu, Violeta [Nanoscale; amp, Quantum Phenomena Institute and Physics & amp, Astronomy Department, Ohio University, Athens, Ohio 45701, United States; Redfern, Paul C.; Curtiss, Larry A.; Hla, Saw Wai [Nanoscale; amp, Quantum Phenomena Institute and Physics & amp, Astronomy Department, Ohio University, Athens, Ohio 45701, United States

2018-01-11

Carotenoids and chlorophyll are essential parts of plant leaves and are involved in photosynthesis, a vital biological process responsible for the origin of life on Earth. Here, we investigate how beta-carotene and chlorophyll-a form mixed molecular phases On a Au(111) surface using low-temperature scanning tunneling microscopy and molecular manipulation at the single-molecule level supported by density functional theory calculations. By isolating individual molecules from nanoscale molecular clusters with a scanning tunneling microscope tip, we are able to identify five beta-carotene conformations including a structure exhibiting a three-dimensional conformation. Furthermore, molecular resolution images enable direct visualization of beta-carotene/chlorophyll-a clsuters, with intimate structural details highlighting how they pair: beta-carotene preferentially positions next to chlorophyll-a and induces switching of chlorophyll-a from straight to several bent tail conformations in the molecular clusters.

A complementary switching mechanism for organic memory devices to regulate the conductance of binary states

Science.gov (United States)

Vyas, Giriraj; Dagar, Parveen; Sahu, Satyajit

2016-06-01

We have fabricated an organic non-volatile memory device wherein the ON/OFF current ratio has been controlled by varying the concentration of a small organic molecule, 2,3-Dichloro-5,6-dicyano-p-benzoquinone (DDQ), in an insulating matrix of a polymer Poly(4-vinylphenol) (PVP). A maximum ON-OFF ratio of 106 is obtained when the concentration of DDQ is half or 10 wt. % of PVP. In this process, the switching direction for the devices has also been altered, indicating the disparity in conduction mechanism. Conduction due to metal filament formation through the active material and the voltage dependent conformational change of the organic molecule seem to be the motivation behind the gradual change in the switching direction.

Q-switched operation with Fox-Smith-Michelson laser cavity

International Nuclear Information System (INIS)

Huang, X; Huang, L; Gong, M

2008-01-01

A new kind of three-mirror composite cavity, Fox-Smith-Michelson cavity has been configured. This laser cavity is capable of high power output, owing to the low threshold of Michelson cavity. Also, thanks to the mode selection function of Fox-Smith cavity, stable pulses at high repetition rate can be generated. In our experiment, 15.54 W CW output at 1064 nm has been achieved, with an optic-to-optic conversion efficiency of 42.2%. At the Q-switching repetition rate of 100 kHz, the average output power is 11.92 W, with an optic-to-optic conversion efficiency of 38.2%. For Q-switching frequency from 30 kHz to 100 kHz, the pulse width variation is below 4.4% and the amplitude variation is below 4.8%

Open and closed conformations of two SpoIIAA-like proteins (YP-749275.1 and YP-001095227.1) provide insights into membrane association and ligand binding

International Nuclear Information System (INIS)

Kumar, Abhinav; Lomize, Andrei; Jin, Kevin K.; Carlton, Dennis; Miller, Mitchell D.; Jaroszewski, Lukasz; Abdubek, Polat; Astakhova, Tamara; Axelrod, Herbert L.; Chiu, Hsiu-Ju; Clayton, Thomas; Das, Debanu; Deller, Marc C.; Duan, Lian; Feuerhelm, Julie; Grant, Joanna C.; Grzechnik, Anna; Han, Gye Won; Klock, Heath E.; Knuth, Mark W.; Kozbial, Piotr; Krishna, S. Sri; Marciano, David; McMullan, Daniel; Morse, Andrew T.; Nigoghossian, Edward; Okach, Linda; Reyes, Ron; Rife, Christopher L.; Sefcovic, Natasha; Tien, Henry J.; Trame, Christine B.; Bedem, Henry van den; Weekes, Dana; Xu, Qingping; Hodgson, Keith O.; Wooley, John; Elsliger, Marc-André; Deacon, Ashley M.; Godzik, Adam; Lesley, Scott A.; Wilson, Ian A.

2009-01-01

The crystal structures of two orthologous proteins from different Shewanella species have uncovered a resemblance to CRAL-TRIO carrier proteins, which suggest that they function as transporters of small nonpolar molecules. One protein adopts an open conformation, while the other adopts a closed structure that may act as a conformational switch in the transport of ligands at the membrane surface. The crystal structures of the proteins encoded by the YP-749275.1 and YP-001095227.1 genes from Shewanella frigidimarina and S. loihica, respectively, have been determined at 1.8 and 2.25 Å resolution, respectively. These proteins are members of a novel family of bacterial proteins that adopt the α/β SpoIIAA-like fold found in STAS and CRAL-TRIO domains. Despite sharing 54% sequence identity, these two proteins adopt distinct conformations arising from different dispositions of their α2 and α3 helices. In the ‘open’ conformation (YP-001095227.1), these helices are 15 Å apart, leading to the creation of a deep nonpolar cavity. In the ‘closed’ structure (YP-749275.1), the helices partially unfold and rearrange, occluding the cavity and decreasing the solvent-exposed hydrophobic surface. These two complementary structures are reminiscent of the conformational switch in CRAL-TRIO carriers of hydrophobic compounds. It is suggested that both proteins may associate with the lipid bilayer in their ‘open’ monomeric state by inserting their amphiphilic helices, α2 and α3, into the lipid bilayer. These bacterial proteins may function as carriers of nonpolar substances or as interfacially activated enzymes

Can task-switching training enhance executive control functioning in children with attention deficit/-hyperactivity disorder?

Directory of Open Access Journals (Sweden)

Jutta eKray

2012-01-01

Full Text Available The key cognitive impairments of children with attention deficit/-hyperactivity disorder (ADHD include executive control functions such as inhibitory control, task switching, and working memory. In this training study we examined whether task-switching training leads to improvements in these functions. Twenty children with combined type ADHD and stable methylphenidate medication performed a single-task and a task-switching training in a crossover training design. The children were randomly assigned to one of two groups. One group started with the single-task training and then performed the task-switching training and the other group vice versa. The effectiveness of the task-switching training was measured as performance improvements (relative to the single-task training on a structurally similar but new switching task and on other executive control tasks measuring inhibitory control and verbal working memory as well as on fluid intelligence (reasoning. The children in both groups showed improvements in task switching, that is, a reduction of switching costs, but not in performing the single tasks across four training sessions. Moreover, the task-switching training lead to selective enhancements in task-switching performance, that is, the reduction of task-switching costs was found to be larger after task-switching than after single-task training. Similar selective improvements were observed for inhibitory control and verbal working memory, but not for reasoning. Results of this study suggest that task-switching training is an effective cognitive intervention that helps to enhance executive control functioning in children with ADHD.

Smoldering and Flame Resistant Textiles via Conformal Barrier Formation

OpenAIRE

Zammarano, Mauro; Cazzetta, Valeria; Nazaré, Shonali; Shields, J. Randy; Kim, Yeon Seok; Hoffman, Kathleen M.; Maffezzoli, Alfonso; Davis, Rick

2016-01-01

A durable and flexible silicone-based backcoating (halogen free) is applied to the backside of an otherwise smoldering-prone and flammable fabric. When exposed to fire, cyclic siloxanes (produced by thermal decomposition of the backcoating) diffuse through the fabric in the gas phase. The following oxidation of the cyclic siloxanes forms a highly conformal and thermally stable coating that fully embeds all individual fibers and shields them from heat and oxidation. As a result, the combustion...

Analysis of novel stochastic switched SILI epidemic models with continuous and impulsive control

Science.gov (United States)

Gao, Shujing; Zhong, Deming; Zhang, Yan

2018-04-01

In this paper, we establish two new stochastic switched epidemic models with continuous and impulsive control. The stochastic perturbations are considered for the natural death rate in each equation of the models. Firstly, a stochastic switched SILI model with continuous control schemes is investigated. By using Lyapunov-Razumikhin method, the sufficient conditions for extinction in mean are established. Our result shows that the disease could be die out theoretically if threshold value R is less than one, regardless of whether the disease-free solutions of the corresponding subsystems are stable or unstable. Then, a stochastic switched SILI model with continuous control schemes and pulse vaccination is studied. The threshold value R is derived. The global attractivity of the model is also obtained. At last, numerical simulations are carried out to support our results.

What makes Ras an efficient molecular switch: a computational, biophysical, and structural study of Ras-GDP interactions with mutants of Raf.

Science.gov (United States)

Filchtinski, Daniel; Sharabi, Oz; Rüppel, Alma; Vetter, Ingrid R; Herrmann, Christian; Shifman, Julia M

2010-06-11

Ras is a small GTP-binding protein that is an essential molecular switch for a wide variety of signaling pathways including the control of cell proliferation, cell cycle progression and apoptosis. In the GTP-bound state, Ras can interact with its effectors, triggering various signaling cascades in the cell. In the GDP-bound state, Ras looses its ability to bind to known effectors. The interaction of the GTP-bound Ras (Ras(GTP)) with its effectors has been studied intensively. However, very little is known about the much weaker interaction between the GDP-bound Ras (Ras(GDP)) and Ras effectors. We investigated the factors underlying the nucleotide-dependent differences in Ras interactions with one of its effectors, Raf kinase. Using computational protein design, we generated mutants of the Ras-binding domain of Raf kinase (Raf) that stabilize the complex with Ras(GDP). Most of our designed mutations narrow the gap between the affinity of Raf for Ras(GTP) and Ras(GDP), producing the desired shift in binding specificity towards Ras(GDP). A combination of our best designed mutation, N71R, with another mutation, A85K, yielded a Raf mutant with a 100-fold improvement in affinity towards Ras(GDP). The Raf A85K and Raf N71R/A85K mutants were used to obtain the first high-resolution structures of Ras(GDP) bound to its effector. Surprisingly, these structures reveal that the loop on Ras previously termed the switch I region in the Ras(GDP).Raf mutant complex is found in a conformation similar to that of Ras(GTP) and not Ras(GDP). Moreover, the structures indicate an increased mobility of the switch I region. This greater flexibility compared to the same loop in Ras(GTP) is likely to explain the natural low affinity of Raf and other Ras effectors to Ras(GDP). Our findings demonstrate that an accurate balance between a rigid, high-affinity conformation and conformational flexibility is required to create an efficient and stringent molecular switch. Copyright 2010 Elsevier Ltd

Pseudospark switches

International Nuclear Information System (INIS)

Billault, P.; Riege, H.; Gulik, M. van; Boggasch, E.; Frank, K.

1987-01-01

The pseudospark discharge is bound to a geometrical structure which is particularly well suited for switching high currents and voltages at high power levels. This type of discharge offers the potential for improvement in essentially all areas of switching operation: peak current and current density, current rise, stand-off voltage, reverse current capability, cathode life, and forward drop. The first pseudospark switch was built at CERN at 1981. Since then, the basic switching characteristics of pseudospark chambers have been studied in detail. The main feature of a pseudospark switch is the confinement of the discharge plasma to the device axis. The current transition to the hollow electrodes is spread over a rather large surface area. Another essential feature is the easy and precise triggering of the pseudospark switch from the interior of the hollow electrodes, relatively far from the main discharge gap. Nanosecond delay and jitter values can be achieved with trigger energies of less than 0.1 mJ, although cathode heating is not required. Pseudospark gaps may cover a wide range of high-voltage, high-current, and high-pulse-power switching at repetition rates of many kilohertz. This report reviews the basic researh on pseudospark switches which has been going on at CERN. So far, applications have been developed in the range of thyratron-like medium-power switches at typically 20 to 40 kV and 0.5 to 10 kA. High-current pseudospark switches have been built for a high-power 20 kJ pulse generator which is being used for long-term tests of plasma lenses developed for the future CERN Antiproton Collector (ACOL). The high-current switches have operated for several hundred thousand shots, with 20 to 50 ns jitter at 16 kV charging voltage and more than 100 kA peak current amplitude. (orig.)

Synchronization Between Two Different Switched Chaotic Systems By Switching Control

Directory of Open Access Journals (Sweden)

Du Li Ming

2016-01-01

Full Text Available This paper is concerned with the synchronization problem of two different switched chaotic systems, considering the general case that the master-slave switched chaotic systems have uncertainties. Two basic problems are considered: one is projective synchronization of switched chaotic systems under arbitrary switching; the other is projective synchronization of switched chaotic systems by design of switching when synchronization cannot achieved by using any subsystems alone. For the two problems, common Lyapunov function method and multiple Lyapunov function method are used respectively, an adaptive control scheme has been presented, some sufficient synchronization conditions are attainted, and the switching signal is designed. Finally, the numerical simulation is provide to show the effectiveness of our method.

Exciter switch

Science.gov (United States)

Mcpeak, W. L.

1975-01-01

A new exciter switch assembly has been installed at the three DSN 64-m deep space stations. This assembly provides for switching Block III and Block IV exciters to either the high-power or 20-kW transmitters in either dual-carrier or single-carrier mode. In the dual-carrier mode, it provides for balancing the two drive signals from a single control panel located in the transmitter local control and remote control consoles. In addition to the improved switching capabilities, extensive monitoring of both the exciter switch assembly and Transmitter Subsystem is provided by the exciter switch monitor and display assemblies.

Regulation of the forming process and the set voltage distribution of unipolar resistance switching in spin-coated CoFe2O4 thin films.

Science.gov (United States)

Mustaqima, Millaty; Yoo, Pilsun; Huang, Wei; Lee, Bo Wha; Liu, Chunli

2015-01-01

We report the preparation of (111) preferentially oriented CoFe2O4 thin films on Pt(111)/TiO2/SiO2/Si substrates using a spin-coating process. The post-annealing conditions and film thickness were varied for cobalt ferrite (CFO) thin films, and Pt/CFO/Pt structures were prepared to investigate the resistance switching behaviors. Our results showed that resistance switching without a forming process is preferred to obtain less fluctuation in the set voltage, which can be regulated directly from the preparation conditions of the CFO thin films. Therefore, instead of thicker film, CFO thin films deposited by two times spin-coating with a thickness about 100 nm gave stable resistance switching with the most stable set voltage. Since the forming process and the large variation in set voltage have been considered as serious obstacles for the practical application of resistance switching for non-volatile memory devices, our results could provide meaningful insights in improving the performance of ferrite material-based resistance switching memory devices.

A Switch Is Not a Switch: Syntactically-Driven Bilingual Language Control

Science.gov (United States)

Gollan, Tamar H.; Goldrick, Matthew

2018-01-01

The current study investigated the possibility that language switches could be relatively automatically triggered by context. "Single-word switches," in which bilinguals switched languages on a single word in midsentence and then immediately switched back, were contrasted with more complete "whole-language switches," in which…

Switching Phenomena in a System with No Switches

Science.gov (United States)

Preis, Tobias; Stanley, H. Eugene

2010-02-01

It is widely believed that switching phenomena require switches, but this is actually not true. For an intriguing variety of switching phenomena in nature, the underlying complex system abruptly changes from one state to another in a highly discontinuous fashion. For example, financial market fluctuations are characterized by many abrupt switchings creating increasing trends ("bubble formation") and decreasing trends ("financial collapse"). Such switching occurs on time scales ranging from macroscopic bubbles persisting for hundreds of days to microscopic bubbles persisting only for a few seconds. We analyze a database containing 13,991,275 German DAX Future transactions recorded with a time resolution of 10 msec. For comparison, a database providing 2,592,531 of all S&P500 daily closing prices is used. We ask whether these ubiquitous switching phenomena have quantifiable features independent of the time horizon studied. We find striking scale-free behavior of the volatility after each switching occurs. We interpret our findings as being consistent with time-dependent collective behavior of financial market participants. We test the possible universality of our result by performing a parallel analysis of fluctuations in transaction volume and time intervals between trades. We show that these financial market switching processes have properties similar to those of phase transitions. We suggest that the well-known catastrophic bubbles that occur on large time scales—such as the most recent financial crisis—are no outliers but single dramatic representatives caused by the switching between upward and downward trends on time scales varying over nine orders of magnitude from very large (≈102 days) down to very small (≈10 ms).

HHM motif at the CuH-site of peptidylglycine monooxygenase is a pH-dependent conformational switch.

Science.gov (United States)

Kline, Chelsey D; Mayfield, Mary; Blackburn, Ninian J

2013-04-16

utility for the HHM motif as a copper- and pH-dependent conformational switch.

Stabilization of switched nonlinear systems with unstable modes

CERN Document Server

Yang, Hao; Cocquempot, Vincent

2014-01-01

This book provides its reader with a good understanding of the stabilization of switched nonlinear systems (SNS), systems that are of practical use in diverse situations: design of fault-tolerant systems in space- and aircraft; traffic control; and heat propagation control of semiconductor power chips. The practical background is emphasized throughout the book; interesting practical examples frequently illustrate the theoretical results with aircraft and spacecraft given particular prominence. Stabilization of Switched Nonlinear Systems with Unstable Modes treats several different subclasses of SNS according to the characteristics of the individual system (time-varying and distributed parameters, for example), the state composition of individual modes and the degree and distribution of instability in its various modes. Achievement and maintenance of stability across the system as a whole is bolstered by trading off between individual modes which may be either stable or unstable, or by exploiting areas of part...

The effect of tensile stress on the conformational free energy landscape of disulfide bonds.

Directory of Open Access Journals (Sweden)

Padmesh Anjukandi

Full Text Available Disulfide bridges are no longer considered to merely stabilize protein structure, but are increasingly recognized to play a functional role in many regulatory biomolecular processes. Recent studies have uncovered that the redox activity of native disulfides depends on their C-C-S-S dihedrals, χ2 and χ'2. Moreover, the interplay of chemical reactivity and mechanical stress of disulfide switches has been recently elucidated using force-clamp spectroscopy and computer simulation. The χ2 and χ'2 angles have been found to change from conformations that are open to nucleophilic attack to sterically hindered, so-called closed states upon exerting tensile stress. In view of the growing evidence of the importance of C-C-S-S dihedrals in tuning the reactivity of disulfides, here we present a systematic study of the conformational diversity of disulfides as a function of tensile stress. With the help of force-clamp metadynamics simulations, we show that tensile stress brings about a large stabilization of the closed conformers, thereby giving rise to drastic changes in the conformational free energy landscape of disulfides. Statistical analysis shows that native TDi, DO and interchain Ig protein disulfides prefer open conformations, whereas the intrachain disulfide bridges in Ig proteins favor closed conformations. Correlating mechanical stress with the distance between the two a-carbons of the disulfide moiety reveals that the strain of intrachain Ig protein disulfides corresponds to a mechanical activation of about 100 pN. Such mechanical activation leads to a severalfold increase of the rate of the elementary redox S(N2 reaction step. All these findings constitute a step forward towards achieving a full understanding of functional disulfides.

Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations

Science.gov (United States)

Gómez-Zavaglia, Andrea; Kaczor, Agnieszka; Coelho, Daniela; Cristiano, M. Lurdes S.; Fausto, Rui

2009-02-01

2-Allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide (ABIOD) has been studied by matrix-isolation infrared spectroscopy and quantum chemical calculations. A conformational search on the B3LYP/6 -311++G(3df,3pd) potential energy surface of the molecule demonstrated the existence of three conformers, Sk, Sk' and C, with similar energies, differing in the orientation of the allyl group. The calculations predicted the Sk form as the most stable in the gaseous phase, whereas the Sk' and C conformers have calculated relative energies of ca. 0.6 and 0.8-3.0 kJ mol -1, respectively (depending on the level of theory). In agreement with the relatively large (>6 kJ mol -1) calculated barriers for conformational interconversion, the three conformers could be efficiently trapped in an argon matrix at 10 K, the experimental infrared spectrum of the as-deposited matrix fitting well the simulated spectrum built from the calculated spectra for individual conformers scaled by their predicted populations at the temperature of the vapour of the compound prior to matrix deposition. Upon annealing the matrix at 24 K, however, both Sk and Sk' conformers were found to convert to the more polar C conformer, indicating that this latter form becomes the most stable ABIOD conformer in the argon matrix.

Quantum Conformal Algebras and Closed Conformal Field Theory

CERN Document Server

Anselmi, D

1999-01-01

We investigate the quantum conformal algebras of N=2 and N=1 supersymmetric gauge theories. Phenomena occurring at strong coupling are analysed using the Nachtmann theorem and very general, model-independent, arguments. The results lead us to introduce a novel class of conformal field theories, identified by a closed quantum conformal algebra. We conjecture that they are the exact solution to the strongly coupled large-N_c limit of the open conformal field theories. We study the basic properties of closed conformal field theory and work out the operator product expansion of the conserved current multiplet T. The OPE structure is uniquely determined by two central charges, c and a. The multiplet T does not contain just the stress-tensor, but also R-currents and finite mass operators. For this reason, the ratio c/a is different from 1. On the other hand, an open algebra contains an infinite tower of non-conserved currents, organized in pairs and singlets with respect to renormalization mixing. T mixes with a se...

C-metric solution for conformal gravity with a conformally coupled scalar field

Energy Technology Data Exchange (ETDEWEB)

Meng, Kun, E-mail: mengkun@tjpu.edu.cn [School of Science, Tianjin Polytechnic University, Tianjin 300387 (China); Zhao, Liu, E-mail: lzhao@nankai.edu.cn [School of Physics, Nankai University, Tianjin 300071 (China)

2017-02-15

The C-metric solution of conformal gravity with a conformally coupled scalar field is presented. The solution belongs to the class of Petrov type D spacetimes and is conformal to the standard AdS C-metric appeared in vacuum Einstein gravity. For all parameter ranges, we identify some of the physically interesting static regions and the corresponding coordinate ranges. The solution may contain a black hole event horizon, an acceleration horizon, either of which may be cut by the conformal infinity or be hidden behind the conformal infinity. Since the model is conformally invariant, we also discussed the possible effects of the conformal gauge choices on the structure of the spacetime.

Conformation-dependent DNA attraction

Science.gov (United States)

Li, Weifeng; Nordenskiöld, Lars; Zhou, Ruhong; Mu, Yuguang

2014-05-01

Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by molecular dynamics simulations. Using umbrella sampling, we find that for both B- and Z-form DNA, surrounding Mg2+ ions always exert themselves to screen the Coulomb repulsion between DNA phosphates, resulting in very weak attractive force. On the contrary, a tight and stable bound state is discovered for Z-DNA in the presence of Mg2+ or Na+, benefiting from their hydrophobic nature. Based on the contact surface and a dewetting process analysis, a two-stage binding process of Z-DNA is outlined: two Z-DNA first attract each other through charge screening and Mg2+ bridges to phosphate groups in the same way as that of B-DNA, after which hydrophobic contacts of the deoxyribose groups are formed via a dewetting effect, resulting in stable attraction between two Z-DNA molecules. The highlighted hydrophobic nature of Z-DNA interaction from the current study may help to understand the biological functions of Z-DNA in gene transcription.Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by

Impacts of Co doping on ZnO transparent switching memory device characteristics

Energy Technology Data Exchange (ETDEWEB)

Simanjuntak, Firman Mangasa; Wei, Kung-Hwa [Department of Materials Science and Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Prasad, Om Kumar [Department of Electrical Engineering and Computer Science, National Chiao Tung University, Hsinchu 30010, Taiwan (China); Panda, Debashis [Department of Electronics Engineering, National Institute of Science and Technology, Berhampur, Odisha 761008 (India); Lin, Chun-An; Tsai, Tsung-Ling; Tseng, Tseung-Yuen, E-mail: tseng@cc.nctu.edu.tw [Department of Electronics Engineering and Institute of Electronics, National Chiao Tung University, Hsinchu 30010, Taiwan (China)

2016-05-02

The resistive switching characteristics of indium tin oxide (ITO)/Zn{sub 1−x}Co{sub x}O/ITO transparent resistive memory devices were investigated. An appropriate amount of cobalt dopant in ZnO resistive layer demonstrated sufficient memory window and switching stability. In contrast, pure ZnO devices demonstrated a poor memory window, and using an excessive dopant concentration led to switching instability. To achieve suitable memory performance, relying only on controlling defect concentrations is insufficient; the grain growth orientation of the resistive layer must also be considered. Stable endurance with an ON/OFF ratio of more than one order of magnitude during 5000 cycles confirmed that the Co-doped ZnO device is a suitable candidate for resistive random access memory application. Additionally, fully transparent devices with a high transmittance of up to 90% at wavelength of 550 nm have been fabricated.

Passively Q-switched mode-locked Nd3+:LuVO4 laser by LT-GaAs saturable absorber

International Nuclear Information System (INIS)

Li, M; Zhao, S; Li, Y; Yang, K; Li, G; Li, D; An, J; Li, T; Yu, Z

2009-01-01

By using LT-GaAs as saturable absorber, we have demonstrated the stable Q-switched and mode-locked (QML) Nd:LuVO 4 laser run in a Z-type folded cavity. Nearly 100% modulation depth of mode locking can be obtained as long as the pump power reaches the oscillation threshold. The repetition rate of the passively Q-switched pulse envelops ranges from 37.5 to 139 kHz as the pump power increased from 1.7 to 8.2 W. The mode-locked pulse inside the Q-switched envelop has an estimated pulse width of about 220 ps and a repetition rate of 111 MHz. Under an incident pump power of 8.2 W, the highest pulse energy of 6 μJ of each Q-switched envelope, and the highest peak power about 2.73 kW of Q-switched mode-locked pulses can be obtained

Selective control of multiple ferroelectric switching pathways using a trailing flexoelectric field

Science.gov (United States)

Park, Sung Min; Wang, Bo; Das, Saikat; Chae, Seung Chul; Chung, Jin-Seok; Yoon, Jong-Gul; Chen, Long-Qing; Yang, Sang Mo; Noh, Tae Won

2018-05-01

Flexoelectricity is an electromechanical coupling between electrical polarization and a strain gradient1 that enables mechanical manipulation of polarization without applying an electrical bias2,3. Recently, flexoelectricity was directly demonstrated by mechanically switching the out-of-plane polarization of a uniaxial system with a scanning probe microscope tip3,4. However, the successful application of flexoelectricity in low-symmetry multiaxial ferroelectrics and therefore active manipulation of multiple domains via flexoelectricity have not yet been achieved. Here, we demonstrate that the symmetry-breaking flexoelectricity offers a powerful route for the selective control of multiple domain switching pathways in multiaxial ferroelectric materials. Specifically, we use a trailing flexoelectric field that is created by the motion of a mechanically loaded scanning probe microscope tip. By controlling the SPM scan direction, we can deterministically select either stable 71° ferroelastic switching or 180° ferroelectric switching in a multiferroic magnetoelectric BiFeO3 thin film. Phase-field simulations reveal that the amplified in-plane trailing flexoelectric field is essential for this domain engineering. Moreover, we show that mechanically switched domains have a good retention property. This work opens a new avenue for the deterministic selection of nanoscale ferroelectric domains in low-symmetry materials for non-volatile magnetoelectric devices and multilevel data storage.

Global Robust Stability of Switched Interval Neural Networks with Discrete and Distributed Time-Varying Delays of Neural Type

Directory of Open Access Journals (Sweden)

Huaiqin Wu

2012-01-01

Full Text Available By combing the theories of the switched systems and the interval neural networks, the mathematics model of the switched interval neural networks with discrete and distributed time-varying delays of neural type is presented. A set of the interval parameter uncertainty neural networks with discrete and distributed time-varying delays of neural type are used as the individual subsystem, and an arbitrary switching rule is assumed to coordinate the switching between these networks. By applying the augmented Lyapunov-Krasovskii functional approach and linear matrix inequality (LMI techniques, a delay-dependent criterion is achieved to ensure to such switched interval neural networks to be globally asymptotically robustly stable in terms of LMIs. The unknown gain matrix is determined by solving this delay-dependent LMIs. Finally, an illustrative example is given to demonstrate the validity of the theoretical results.

Resistive switching behavior of SiOx layers with Si nanoparticles

International Nuclear Information System (INIS)

Nesheva, D; Pantchev, B; Manolov, E; Dzhurkov, V; Nedev, N; Valdez, B; Nedev, R

2017-01-01

First results on resistive switching in SiO x film containing crystalline silicon nanoparticles are reported. SiO x layers ( x = 1.15) with thickness of 50 nm were deposited on n-Si crystalline substrates and annealed for 60 min at 1000 o C to grow crystalline nanoparticles. Part of the samples were annealed in an inert atmosphere, while the rest were subjected to a two-step (O 2 +N 2 /N 2 ) annealing process. Current-voltage (I-V) characteristics were by applying positive or negative voltage to the top contact. For both types of samples the I-V characteristics were asymmetric with lower currents measured at negative voltage, especially in the case of two-step annealed samples. In most of the N 2 annealed structures switching behavior high-low/low-high resistance state was observed in both polarities at voltages with amplitudes in the range (2 - 4) V. Uncontrolled switching low/high resistance was also seen, more frequently at positive voltages. In contrast, the two-step annealed samples showed stable behavior. The transition high-low resistance state was achieved by negative voltages in the (-2, -5) V range leading to an increase of the current by more than three orders of magnitude. The structures were reset to the high resistive state, by positive voltage in the range (3 - 4) V. Uncontrolled switching was not observed in the two-step annealed samples for both polarities and they showed higher reliability regarding the number of switching cycles. (paper)

An Nd:YLF laser Q-switched by a monolayer-graphene saturable-absorber mirror

International Nuclear Information System (INIS)

Matía-Hernando, Paloma; Guerra, José Manuel; Weigand, Rosa

2013-01-01

We demonstrate Q-switched operation of a transversely diode-pumped Nd:YLF (yttrium lithium fluoride) laser using chemical vapour deposition-grown large-area monolayer graphene transferred to a dielectric saturable-absorber mirror (G-SAM). The resulting compact design operates at 1047 nm with 2.5 μs pulses in a 100% modulation Q-switch regime with an average and very stable output power of 0.5 W. Different cavity lengths have been employed and the results are compared against a theoretical model based on rate equations, evidencing the role of transverse pumping in the system. The model also reveals that monolayer graphene effectively leads to shorter and more powerful pulses compared to those with multilayer graphene. These results establish the potential of single-layer graphene for providing a reliable and efficient Q-switch mechanism in solid-state lasers. (paper)

Non-conformable, partial and conformable transposition

DEFF Research Database (Denmark)

König, Thomas; Mäder, Lars Kai

2013-01-01

and the Commission regarding a directive’s outcome, play a much more strategic role than has to date acknowledged in the transposition literature. Whereas disagreement of a member state delays conformable transposition, it speeds up non-conformable transposition. Disagreement of the Commission only prolongs...... the transposition process. We therefore conclude that a stronger focus on an effective sanctioning mechanism is warranted for safeguarding compliance with directives....

Bimetallic nanoparticles for surface modification and lubrication of MEMS switch contacts

International Nuclear Information System (INIS)

Patton, Steven T; Hu Jianjun; Slocik, Joseph M; Campbell, Angela; Naik, Rajesh R; Voevodin, Andrey A

2008-01-01

Reliability continues to be a critical issue in microelectromechanical systems (MEMS) switches. Failure mechanisms include high contact resistance (R), high adhesion, melting/shorting, and contact erosion. Little previous work has addressed the lubrication of MEMS switches. In this study, bimetallic nanoparticles (NPs) are synthesized using a biotemplated approach and deposited on Au MEMS switch contacts as a nanoparticle-based lubricant. Bimetallic nanoparticles are comprised of a metallic core (∼10 nm diameter gold nanoparticle) with smaller metallic nanoparticles (∼2-3 nm diameter Pd nanoparticles) populating the core surface. Adhesion and resistance (R) were measured during hot switching experiments at low (10 μA) and high (1 mA) current. The Au/Pd NP coated contacts led to reduced adhesion as compared to pure Au contacts with a compromise of slightly higher R. For switches held in the closed position at low current, R gradually decreased over tens of seconds due to increased van der Waals force and growth of the real area of contact with temporal effects being dominant over load effects. Contact behavior transitioned from 'Pd-like' to 'Au-like' during low current cycling experiments. Melting at high current resulted in rapid formation of large real contact area, low and stable R, and minimal effect of load on R. Durability at high current was excellent with no failure through 10 6 hot switching cycles. Improvement at high current is due to controlled nanoscale surface roughness that spreads current through multiple nanocontacts, which restricts the size of melting regions and causes termination of nanowire growth (prevents shorting) during contact opening. Based on these results, bimetallic NPs show excellent potential as surface modifiers/lubricants for MEMS switch contacts

Conformal Einstein spaces

International Nuclear Information System (INIS)

Kozameh, C.N.; Newman, E.T.; Tod, K.P.

1985-01-01

Conformal transformations in four-dimensional. In particular, a new set of two necessary and sufficient conditions for a space to be conformal to an Einstein space is presented. The first condition defines the class of spaces conformal to C spaces, whereas the last one (the vanishing of the Bach tensor) gives the particular subclass of C spaces which are conformally related to Einstein spaces. (author)

Conformal Gravity

International Nuclear Information System (INIS)

Hooft, G.

2012-01-01

The dynamical degree of freedom for the gravitational force is the metric tensor, having 10 locally independent degrees of freedom (of which 4 can be used to fix the coordinate choice). In conformal gravity, we split this field into an overall scalar factor and a nine-component remainder. All unrenormalizable infinities are in this remainder, while the scalar component can be handled like any other scalar field such as the Higgs field. In this formalism, conformal symmetry is spontaneously broken. An imperative demand on any healthy quantum gravity theory is that black holes should be described as quantum systems with micro-states as dictated by the Hawking-Bekenstein theory. This requires conformal symmetry that may be broken spontaneously but not explicitly, and this means that all conformal anomalies must cancel out. Cancellation of conformal anomalies yields constraints on the matter sector as described by some universal field theory. Thus black hole physics may eventually be of help in the construction of unified field theories. (author)

Formation of stable radicals during perfluoroalkane radiolysis

International Nuclear Information System (INIS)

Allayarov, S.R.; Demidov, S.V.; Kiryukhin, D.P.; Mikhajlov, A.I.; Barkalov, I.M.

1984-01-01

Accumulation and stabilization kinetics of perfluoroalkyls during α-radiolysis ( 60 Co) of perfluoralkanes (PFA) in a wide temperature range for different PFA fractions differing in the average molecular weight, is investigated. It is noted that low temperature (PFA) radiolysis (77 K) is of a linear nature of accumulation of stabilized radicals up to doses of approximately 700 KGy. In the case of PFA radiolysis at 300 K radiation yields of stable radicals are somewhat lower than at 47 K and at doses of 200-300 KGy, their accumulation ceases. It is shown that kinetics of formation and accumulation of stable radicals does not depend on molecular mass and PFA fraction viscosity. Perfluoroalkyl stability is explained by intra molecular conformation spheric insulation of the free valency. Perfluoroalkyl stability in different PFA fractions in a wide time range in different media is investigated

Optimal control of switching time in switched stochastic systems with multi-switching times and different costs

Science.gov (United States)

Liu, Xiaomei; Li, Shengtao; Zhang, Kanjian

2017-08-01

In this paper, we solve an optimal control problem for a class of time-invariant switched stochastic systems with multi-switching times, where the objective is to minimise a cost functional with different costs defined on the states. In particular, we focus on problems in which a pre-specified sequence of active subsystems is given and the switching times are the only control variables. Based on the calculus of variation, we derive the gradient of the cost functional with respect to the switching times on an especially simple form, which can be directly used in gradient descent algorithms to locate the optimal switching instants. Finally, a numerical example is given, highlighting the validity of the proposed methodology.

Transient-Switch-Signal Suppressor

Science.gov (United States)

Bozeman, Richard J., Jr.

1995-01-01

Circuit delays transmission of switch-opening or switch-closing signal until after preset suppression time. Used to prevent transmission of undesired momentary switch signal. Basic mode of operation simple. Beginning of switch signal initiates timing sequence. If switch signal persists after preset suppression time, circuit transmits switch signal to external circuitry. If switch signal no longer present after suppression time, switch signal deemed transient, and circuit does not pass signal on to external circuitry, as though no transient switch signal. Suppression time preset at value large enough to allow for damping of underlying pressure wave or other mechanical transient.

Effects of conformism on the cultural evolution of social behaviour.

Directory of Open Access Journals (Sweden)

Lucas Molleman

Full Text Available Models of cultural evolution study how the distribution of cultural traits changes over time. The dynamics of cultural evolution strongly depends on the way these traits are transmitted between individuals by social learning. Two prominent forms of social learning are payoff-based learning (imitating others that have higher payoffs and conformist learning (imitating locally common behaviours. How payoff-based and conformist learning affect the cultural evolution of cooperation is currently a matter of lively debate, but few studies systematically analyse the interplay of these forms of social learning. Here we perform such a study by investigating how the interaction of payoff-based and conformist learning affects the outcome of cultural evolution in three social contexts. First, we develop a simple argument that provides insights into how the outcome of cultural evolution will change when more and more conformist learning is added to payoff-based learning. In a social dilemma (e.g. a Prisoner's Dilemma, conformism can turn cooperation into a stable equilibrium; in an evasion game (e.g. a Hawk-Dove game or a Snowdrift game conformism tends to destabilize the polymorphic equilibrium; and in a coordination game (e.g. a Stag Hunt game, conformism changes the basin of attraction of the two equilibria. Second, we analyse a stochastic event-based model, revealing that conformism increases the speed of cultural evolution towards pure equilibria. Individual-based simulations as well as the analysis of the diffusion approximation of the stochastic model by and large confirm our findings. Third, we investigate the effect of an increasing degree of conformism on cultural group selection in a group-structured population. We conclude that, in contrast to statements in the literature, conformism hinders rather than promotes the evolution of cooperation.

Effects of conformism on the cultural evolution of social behaviour.

Science.gov (United States)

Molleman, Lucas; Pen, Ido; Weissing, Franz J

2013-01-01

Models of cultural evolution study how the distribution of cultural traits changes over time. The dynamics of cultural evolution strongly depends on the way these traits are transmitted between individuals by social learning. Two prominent forms of social learning are payoff-based learning (imitating others that have higher payoffs) and conformist learning (imitating locally common behaviours). How payoff-based and conformist learning affect the cultural evolution of cooperation is currently a matter of lively debate, but few studies systematically analyse the interplay of these forms of social learning. Here we perform such a study by investigating how the interaction of payoff-based and conformist learning affects the outcome of cultural evolution in three social contexts. First, we develop a simple argument that provides insights into how the outcome of cultural evolution will change when more and more conformist learning is added to payoff-based learning. In a social dilemma (e.g. a Prisoner's Dilemma), conformism can turn cooperation into a stable equilibrium; in an evasion game (e.g. a Hawk-Dove game or a Snowdrift game) conformism tends to destabilize the polymorphic equilibrium; and in a coordination game (e.g. a Stag Hunt game), conformism changes the basin of attraction of the two equilibria. Second, we analyse a stochastic event-based model, revealing that conformism increases the speed of cultural evolution towards pure equilibria. Individual-based simulations as well as the analysis of the diffusion approximation of the stochastic model by and large confirm our findings. Third, we investigate the effect of an increasing degree of conformism on cultural group selection in a group-structured population. We conclude that, in contrast to statements in the literature, conformism hinders rather than promotes the evolution of cooperation.

Co-existence of Distinct Prion Types Enables Conformational Evolution of Human PrPSc by Competitive Selection*

Science.gov (United States)

Haldiman, Tracy; Kim, Chae; Cohen, Yvonne; Chen, Wei; Blevins, Janis; Qing, Liuting; Cohen, Mark L.; Langeveld, Jan; Telling, Glenn C.; Kong, Qingzhong; Safar, Jiri G.

2013-01-01

The unique phenotypic characteristics of mammalian prions are thought to be encoded in the conformation of pathogenic prion proteins (PrPSc). The molecular mechanism responsible for the adaptation, mutation, and evolution of prions observed in cloned cells and upon crossing the species barrier remains unsolved. Using biophysical techniques and conformation-dependent immunoassays in tandem, we isolated two distinct populations of PrPSc particles with different conformational stabilities and aggregate sizes, which frequently co-exist in the most common human prion disease, sporadic Creutzfeldt-Jakob disease. The protein misfolding cyclic amplification replicates each of the PrPSc particle types independently and leads to the competitive selection of those with lower initial conformational stability. In serial propagation with a nonglycosylated mutant PrPC substrate, the dominant PrPSc conformers are subject to further evolution by natural selection of the subpopulation with the highest replication rate due to its lowest stability. Cumulatively, the data show that sporadic Creutzfeldt-Jakob disease PrPSc is not a single conformational entity but a dynamic collection of two distinct populations of particles. This implies the co-existence of different prions, whose adaptation and evolution are governed by the selection of progressively less stable, faster replicating PrPSc conformers. PMID:23974118

Black phosphorus saturable absorber for Q-switched Er:YAG laser at 1645 nm

Science.gov (United States)

Guo, Lei; Li, Tao; Zhang, Shuaiyi; Wang, Mingjian; Yang, Kejian; Fan, Mingqi; Zhao, Shengzhi; Li, Ming

2018-03-01

A Q-switched Er:YAG solid-state laser at 1645 nm based on black phosphorus (BP) saturable absorbers (SAs) was demonstrated firstly to our knowledge. The BP-SA was fabricated by drop-casting BP nanoplatelets dispersion on a YAG substrate and corresponding saturable absorption properties were characterized at 1.6 μm. By employing as-prepared BP-SAs, stable Q-switched laser operations were achieved with a pulse width of 2.8 μs and a repetition rate of 34 kHz, corresponding to the average output power of 0.33 W. The results verify that BP-SAs have great potential for pulsed 1.6 μm lasers.

Finite-time stabilisation of a class of switched nonlinear systems with state constraints

Science.gov (United States)

Huang, Shipei; Xiang, Zhengrong

2018-06-01

This paper investigates the finite-time stabilisation for a class of switched nonlinear systems with state constraints. Some power orders of the system are allowed to be ratios of positive even integers over odd integers. A Barrier Lyapunov function is introduced to guarantee that the state constraint is not violated at any time. Using the convex combination method and a recursive design approach, a state-dependent switching law and state feedback controllers of individual subsystems are constructed such that the closed-loop system is finite-time stable without violation of the state constraint. Two examples are provided to show the effectiveness of the proposed method.

Conformational preferences of γ-aminobutyric acid in the gas phase and in water

Science.gov (United States)

Song, Il Keun; Kang, Young Kee

2012-09-01

The conformational study of γ-aminobutyric acid (GABA) has been carried out at the M06-2X/cc-pVTZ level of theory in the gas phase and the SMD M06-2X/cc-pVTZ level of theory in water. In the gas phase, the folded conformation gG1 with gauche- and gauche+ conformations for the Cβsbnd Cα and Cγsbnd Cβ bonds, respectively, is found to be lowest in energy and enthalpy, which can be ascribed to the favored hyperconjugative n → π* interaction between the lone electron pair of the amine nitrogen atom and the Cdbnd O bond of the carboxylic group and the favored antiparallel dipole-dipole interaction between the Nsbnd H bond and the Cdbnd O bond. In addition, the intramolecular hydrogen bonds between the carboxylic group and the amine Nsbnd H group have contributed to stabilize some low-energy conformers. However, the most preferred conformation is found to be tG1 and more stable by 0.4 kcal/mol in ΔG than the conformer gG1, in which the favored entropic term due to the conformational flexibility and the other favored n → σ*, σ → σ*, and π → σ* interactions seem to play a role. The conformational preferences of the neutral GABA calculated by ΔG's are reasonably consistent with the populations deduced from FT microwave spectroscopy in supersonic jets combined with laser ablation. In water, the two folded conformers Gg and gG of the zwitterionic GABA are dominantly populated, each of which has the population of 47%, and the hydrogen bond between the ammonium Nsbnd H group and the lone electron pair of the Csbnd O- group seems to be crucial in stabilizing these conformers. Our calculated result that the folded conformers preferentially exist in water is consistent with the 1H NMR experiments in D2O.

Stable preparations of tyrosine hydroxylase provide the solution structure of the full-length enzyme

Science.gov (United States)

Bezem, Maria T.; Baumann, Anne; Skjærven, Lars; Meyer, Romain; Kursula, Petri; Martinez, Aurora; Flydal, Marte I.

2016-01-01

Tyrosine hydroxylase (TH) catalyzes the rate-limiting step in the biosynthesis of catecholamine neurotransmitters. TH is a highly complex enzyme at mechanistic, structural, and regulatory levels, and the preparation of kinetically and conformationally stable enzyme for structural characterization has been challenging. Here, we report on improved protocols for purification of recombinant human TH isoform 1 (TH1), which provide large amounts of pure, stable, active TH1 with an intact N-terminus. TH1 purified through fusion with a His-tagged maltose-binding protein on amylose resin was representative of the iron-bound functional enzyme, showing high activity and stabilization by the natural feedback inhibitor dopamine. TH1 purified through fusion with a His-tagged ZZ domain on TALON is remarkably stable, as it was partially inhibited by resin-derived cobalt. This more stable enzyme preparation provided high-quality small-angle X-ray scattering (SAXS) data and reliable structural models of full-length tetrameric TH1. The SAXS-derived model reveals an elongated conformation (Dmax = 20 nm) for TH1, different arrangement of the catalytic domains compared with the crystal structure of truncated forms, and an N-terminal region with an unstructured tail that hosts the phosphorylation sites and a separated Ala-rich helical motif that may have a role in regulation of TH by interacting with binding partners. PMID:27462005

A high-current rail-type gas switch with preionization by an additional corona discharge

Energy Technology Data Exchange (ETDEWEB)

Antipov, E. I.; Belozerov, O. S.; Krastelev, E. G., E-mail: ekrastelev@yandex.ru [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute) (Russian Federation)

2016-12-15

The characteristics of a high-current rail-type gas switch with preionization of the gas (air) in a spark gap by an additional corona discharge are investigated. The experiments were performed in a voltage range of 10–45 kV using a two-electrode switch consisting of two cylindrical electrodes with a diameter of 22 mm and a length of 100 mm and a set of laterally located corona-discharge needles. The requirements for the position and size of the needles are defined for which a corona discharge is ignited before a breakdown of the main gap and does not change to a sparking form, and the entire length of the rail electrodes is efficiently used. The fulfillment of these requirements ensures stable operation of the switch with a small variation of the pulse breakdown voltage, which is not more than 1% for a fixed voltage-pulse rise time in the range from 150 ns to 3.5 μs. A short delay time of the switch breakdown makes it possible to control the two-electrode switch by an overvoltage pulse of nanosecond duration.

A high-current rail-type gas switch with preionization by an additional corona discharge

International Nuclear Information System (INIS)

Antipov, E. I.; Belozerov, O. S.; Krastelev, E. G.

2016-01-01

The characteristics of a high-current rail-type gas switch with preionization of the gas (air) in a spark gap by an additional corona discharge are investigated. The experiments were performed in a voltage range of 10–45 kV using a two-electrode switch consisting of two cylindrical electrodes with a diameter of 22 mm and a length of 100 mm and a set of laterally located corona-discharge needles. The requirements for the position and size of the needles are defined for which a corona discharge is ignited before a breakdown of the main gap and does not change to a sparking form, and the entire length of the rail electrodes is efficiently used. The fulfillment of these requirements ensures stable operation of the switch with a small variation of the pulse breakdown voltage, which is not more than 1% for a fixed voltage-pulse rise time in the range from 150 ns to 3.5 μs. A short delay time of the switch breakdown makes it possible to control the two-electrode switch by an overvoltage pulse of nanosecond duration.

Nearly reversible conformational change of amyloid fibrils as revealed by pH-jump experiments.

Science.gov (United States)

Yamaguchi, Kei-ichi; Kamatari, Yuji O; Fukuoka, Mayuko; Miyaji, Reiji; Kuwata, Kazuo

2013-10-01

pH-jump induced conformational transitions between substates of preformed amyloid fibrils made by a fragmented peptide of helix 2 (H2 peptide) of MoPrP were detected, and their kinetics were analyzed using a novel pH-jump apparatus specially designed for observing amyloids. Previously, we reported that H2 peptide formed ordered fibrils with a minimum at 207 nm on CD spectra at pH 2.9 (named pH 2.9 fibrils), but formed aggregate-like fibrils with a minimum at 220 nm at pH 7.5 (named pH 7.5 fibrils). When pH-jump from 2.9 to 7.5 was performed, the CD spectrum changed instantly, but the finally observed ellipticities were clearly distinct from those of pH 7.5 fibrils. Thus, the finally observed state is termed 'pH 7.5-like fibrils'. However, pH 7.5-like fibrils reverted to the conformation very similar to that of the pH 2.9 fibrils when the pH of the solution was restored to 2.9. Then, we examined the kinetics of the nearly reversible conformational changes between pH 2.9 fibrils and pH 7.5-like fibrils using ANS fluorescence stopped-flow, and we observed relatively fast phases (0.7-18 s(-1)). In contrast, the conversion between pH 7.5-like fibrils and pH 7.5 fibrils never occurred (<0.2 day(-1)). Thus, H2 fibrils can be switched readily between distinct conformations separated by a low energy barrier, while a large energy barrier clearly separated the different conformations. These conformational varieties of amyloid fibrils may explain the physical basis of the diversity in prion.

Histology of a dental implant with a platform switched implant-abutment connection

Directory of Open Access Journals (Sweden)

Vittoria Perrotti

2011-10-01

Full Text Available Background: Peri-implant crestal bone must be stable for aesthetic reasons. Aim of this study was a histologic analysis of an implant with a platform switched implant-abutment connection. Materials and methods: A 32-year-old male patient participated in this study. The patient needed a bilateral mandibular restoration. Four implants were used, and were immediately restored and loaded the same day of insertion. After a 6 weeks healing period, one implant with platform-switched abutment was retrieved with trephine. Before retrieval the implant was osseointegrated and not mobile. On one side of the implant, a 1 mm resorption of the crestal bone was present. On the contrary, on the other side no bone resorption had occurred and about 1 mm of bone was present over the implant shoulder. Results: The bone-implant contact percentage was 65.1 ± 6.3 %. Platform- switching could help in maintaining the height of the peri-implant crestal bone.

Realization of a four-step molecular switch in scanning tunneling microscope manipulation of single chlorophyll-a molecules

Science.gov (United States)

Iancu, Violeta; Hla, Saw-Wai

2006-01-01

Single chlorophyll-a molecules, a vital resource for the sustenance of life on Earth, have been investigated by using scanning tunneling microscope manipulation and spectroscopy on a gold substrate at 4.6 K. Chlorophyll-a binds on Au(111) via its porphyrin unit while the phytyl-chain is elevated from the surface by the support of four CH3 groups. By injecting tunneling electrons from the scanning tunneling microscope tip, we are able to bend the phytyl-chain, which enables the switching of four molecular conformations in a controlled manner. Statistical analyses and structural calculations reveal that all reversible switching mechanisms are initiated by a single tunneling-electron energy-transfer process, which induces bond rotation within the phytyl-chain. PMID:16954201

Non-exponential resistive switching in Ag2S memristors: a key to nanometer-scale non-volatile memory devices.

Science.gov (United States)

Gubicza, Agnes; Csontos, Miklós; Halbritter, András; Mihály, György

2015-03-14

The dynamics of resistive switchings in nanometer-scale metallic junctions formed between an inert metallic tip and an Ag film covered by a thin Ag2S layer are investigated. Our thorough experimental analysis and numerical simulations revealed that the resistance change upon a switching bias voltage pulse exhibits a strongly non-exponential behaviour yielding markedly different response times at different bias levels. Our results demonstrate the merits of Ag2S nanojunctions as nanometer-scale non-volatile memory cells with stable switching ratios, high endurance as well as fast response to write/erase, and an outstanding stability against read operations at technologically optimal bias and current levels.

Conformal symmetry in two-dimensional space: recursion representation of conformal block

International Nuclear Information System (INIS)

Zamolodchikov, A.B.

1988-01-01

The four-point conformal block plays an important part in the analysis of the conformally invariant operator algebra in two-dimensional space. The behavior of the conformal block is calculated in the present paper in the limit in which the dimension Δ of the intermediate operator tends to infinity. This makes it possible to construct a recursion relation for this function that connects the conformal block at arbitrary Δ to the blocks corresponding to the dimensions of the zero vectors in the degenerate representations of the Virasoro algebra. The relation is convenient for calculating the expansion of the conformal block in powers of the uniformizing parameters q = i π tau

How Sequential Changes in Reward Magnitude Modulate Cognitive Flexibility: Evidence from Voluntary Task Switching

Science.gov (United States)

Fröber, Kerstin; Dreisbach, Gesine

2016-01-01

There is much evidence that the prospect of reward modulates cognitive control in terms of more stable behavior. Increases in expected reward magnitude, however, have been suggested to increase flexible behavior as evidenced by reduced switch costs. In a series of experiments, the authors provide evidence that this increased cognitive flexibility…

Evolution of the bi-stable wake of a square-back automotive shape

Science.gov (United States)

Pavia, Giancarlo; Passmore, Martin; Sardu, Costantino

2018-01-01

Square-back shapes are popular in the automotive market for their high level of practicality. These geometries, however, are usually characterised by high drag and their wake dynamics present aspects, such as the coexistence of a long-time bi-stable behaviour and short-time global fluctuating modes that are not fully understood. In the present paper, the unsteady behaviour of the wake of a generic square-back car geometry is characterised with an emphasis on identifying the causal relationship between the different dynamic modes in the wake. The study is experimental, consisting of balance, pressure, and stereoscopic PIV measurements. Applying wavelet and cross-wavelet transforms to the balance data, a quasi-steady correlation is demonstrated between the forces and bi-stable modes. This is investigated by applying proper orthogonal decomposition to the pressure and velocity data sets and a new structure is proposed for each bi-stable state, consisting of a hairpin vortex that originates from one of the two model's vertical trailing edges and bends towards the opposite side as it merges into a single streamwise vortex downstream. The wake pumping motion is also identified and for the first time linked with the motion of the bi-stable vortical structure in the streamwise direction, resulting in out-of-phase pressure variations between the two vertical halves of the model base. A phase-averaged low-order model is also proposed that provides a comprehensive description of the mechanisms of the switch between the bi-stable states. It is demonstrated that, during the switch, the wake becomes laterally symmetric and, at this point, the level of interaction between the recirculating structures and the base reaches a minimum, yielding, for this geometry, a 7% reduction of the base drag compared to the time-averaged result.

Full conformational landscape of 3-Methoxyphenol revealed by room temperature mm-wave rotational spectroscopy supported by quantum chemical calculations.

Science.gov (United States)

Roucou, Anthony; Fontanari, Daniele; Dhont, Guillaume; Jabri, Atef; Bray, Cédric; Hindle, Francis; Mouret, Gaël; Bocquet, Robin; Cuisset, Arnaud

2018-03-30

Room temperature millimeter-wave rotational spectroscopy supported by high level of theory calculations have been employed to fully characterise the conformational landscape of 3-Methoxyphenol, a semi-volatile polar oxygenated aromatic compound precursor of secondary organic aerosols in the atmosphere arising from biomass combustion. While previous rotationally-resolved spectroscopic studies in the microwave and in the UV domains failed to observe the complete conformational landscape, the 70 - 330 GHz rotational spectrum measured in this study reveals the ground state rotational signatures of the four stable conformations theoretically predicted. Moreover, rotational transitions in the lowest energy vibrationally excited states were assigned for two conformers. While the inertial defect of methoxyphenol does not signicantly change between conformers and isomers, the excitation of the methoxy out-of-plane bending is the main contribution to the non-planarity of the molecule. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dual regulatory switch confers tighter control on HtrA2 proteolytic activity.

Science.gov (United States)

Singh, Nitu; D'Souza, Areetha; Cholleti, Anuradha; Sastry, G Madhavi; Bose, Kakoli

2014-05-01

High-temperature requirement protease A2 (HtrA2), a multitasking serine protease that is involved in critical biological functions and pathogenicity, such as apoptosis and cancer, is a potent therapeutic target. It is established that the C-terminal post-synaptic density protein, Drosophila disc large tumor suppressor, zonula occludens-1 protein (PDZ) domain of HtrA2 plays pivotal role in allosteric modulation, substrate binding and activation, as commonly reported in other members of this family. Interestingly, HtrA2 exhibits an additional level of functional modulation through its unique N-terminus, as is evident from 'inhibitor of apoptosis proteins' binding and cleavage. This phenomenon emphasizes multiple activation mechanisms, which so far remain elusive. Using conformational dynamics, binding kinetics and enzymology studies, we addressed this complex behavior with respect to defining its global mode of regulation and activity. Our findings distinctly demonstrate a novel N-terminal ligand-mediated triggering of an allosteric switch essential for transforming HtrA2 to a proteolytically competent state in a PDZ-independent yet synergistic activation process. Dynamic analyses suggested that it occurs through a series of coordinated structural reorganizations at distal regulatory loops (L3, LD, L1), leading to a population shift towards the relaxed conformer. This precise synergistic coordination among different domains might be physiologically relevant to enable tighter control upon HtrA2 activation for fostering its diverse cellular functions. Understanding this complex rheostatic dual switch mechanism offers an opportunity for targeting various disease conditions with tailored site-specific effector molecules. © 2014 FEBS.

Hybrid Switching Controller Design for the Maneuvering and Transit of a Training Ship

Directory of Open Access Journals (Sweden)

Tomera Mirosław

2017-03-01

Full Text Available The paper presents the design of a hybrid controller used to control the movement of a ship in different operating modes, thereby improving the performance of basic maneuvers. This task requires integrating several operating modes, such as maneuvering the ship at low speeds, steering the ship at different speeds in the course or along the trajectory, and stopping the ship on the route. These modes are executed by five component controllers switched on and off by the supervisor depending on the type of operation performed. The desired route, containing the coordinates of waypoints and tasks performed along consecutive segments of the reference trajectory, is obtained by the supervisory system from the system operator. The former supports switching between component controllers and provides them with new set-points after each change in the reference trajectory segment, thereby ensuring stable operation of the entire hybrid switching controller.

Defining the conformational features of anchorless, poorly neuroinvasive prions.

Directory of Open Access Journals (Sweden)

Cyrus Bett

Full Text Available Infectious prions cause diverse clinical signs and form an extraordinary range of structures, from amorphous aggregates to fibrils. How the conformation of a prion dictates the disease phenotype remains unclear. Mice expressing GPI-anchorless or GPI-anchored prion protein exposed to the same infectious prion develop fibrillar or nonfibrillar aggregates, respectively, and show a striking divergence in the disease pathogenesis. To better understand how a prion's physical properties govern the pathogenesis, infectious anchorless prions were passaged in mice expressing anchorless prion protein and the resulting prions were biochemically characterized. Serial passage of anchorless prions led to a significant decrease in the incubation period to terminal disease and altered the biochemical properties, consistent with a transmission barrier effect. After an intraperitoneal exposure, anchorless prions were only weakly neuroinvasive, as prion plaques rarely occurred in the brain yet were abundant in extracerebral sites such as heart and adipose tissue. Anchorless prions consistently showed very high stability in chaotropes or when heated in SDS, and were highly resistant to enzyme digestion. Consistent with the results in mice, anchorless prions from a human patient were also highly stable in chaotropes. These findings reveal that anchorless prions consist of fibrillar and highly stable conformers. The additional finding from our group and others that both anchorless and anchored prion fibrils are poorly neuroinvasive strengthens the hypothesis that a fibrillar prion structure impedes efficient CNS invasion.

Microwave, infrared and Raman spectra, adjusted r{sub 0} structural parameters, conformational stability, and vibrational assignment of cyclopropylfluorosilane

Energy Technology Data Exchange (ETDEWEB)

Panikar, Savitha S. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Guirgis, Gamil A.; Eddens, Matthew T.; Dukes, Horace W. [Department of Chemistry and Biochemistry, College of Charleston, Charleston, SC 29424 (United States); Conrad, Andrew R.; Tubergen, Michael J. [Department of Chemistry, Kent State University, Kent, OH 44242 (United States); Gounev, Todor K. [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States); Durig, James R., E-mail: durigj@umkc.edu [Department of Chemistry, University of Missouri-Kansas City, Kansas City, MO 64110 (United States)

2013-03-29

Highlights: ► The most stable gauche conformer has been identified from microwave spectra. ► Enthalpy difference has been determined between the two forms. ► Adjusted r{sub 0} structures were obtained for the gauche form. ► Ab initio calculations were performed for the two conformers. - Abstract: FT-microwave, infrared spectra of gas and Raman spectra of liquid for cyclopropylfluorosilane, c-C{sub 3}H{sub 5}SiH{sub 2}F have been recorded. 51 transitions for the {sup 28}Si, {sup 29}Si, and {sup 30}Si isotopomers have been assigned for the gauche conformer. Enthalpy differences in xenon solution by variable temperature infrared spectra between the more stable gauche and lesser stable cis form gave 109 ± 9 cm{sup −1}. From the microwave rotational constants for the three isotopomers ({sup 28}Si, {sup 29}Si, {sup 30}Si) combined with structural parameters predicted from MP2(full)/6-311+G(d, p) calculations, adjusted r{sub 0} structural parameters were obtained for the gauche conformer. The heavy atom distances (Å): Si–C{sub 2} = 1.836(3); C{sub 2}–C{sub 4} = 1.525(3); C{sub 2}–C{sub 5} = 1.519(3); C{sub 4}–C{sub 5} = 1.494(3); Si–F = 1.594(3) and angles (°): ∠CSiF = 111.2(5); ∠SiC{sub 2}C{sub 4} = 117.5(5); ∠SiC{sub 2}C{sub 5} = 119.2(5). To support the vibrational assignments, MP2(full)/6-31G(d) calculations were carried out. Results are discussed and compared to the corresponding properties of some similar molecules.

Stabilization of metal-oxide bulk switching device with diffused Bi contacts

International Nuclear Information System (INIS)

Lalevic, B.; Shoga, M.; Gvishi, M.; Levy, S.; Army ERADCOM, Ft. Monmouth, NJ)

1979-01-01

Threshold switching from the high to low resistance state has been investigated in the polycrystalline and single crystal NbO/sub x/ (where x is approximately = 2) metal-oxide devices. Stable and reproducible switching performance is observed in a configuration Bi-NbO 2 -Bi where Bi electrodes were covered with Au films. Improvement in the device performance is attributed to the Bi diffusion into NbO/sub x/ which has been confirmed by the Auger electron spectroscopy. Typical off state resistance of these devices is approx.100 KΩ and threshold switching voltage in the range from 100 to 2500 V. The delay time tau/sub d/ is exponentially dependent on the applied voltage V/sub appl/ and at larger V/sub appl'/ the delay time is less than a nanosecond. Recovery time of a device is approx.0.5 μsec as determined by the method of decreasing time interval between two successive pulses. Holding voltage is approx.40 V. The pulsed switched devices can withstand pulse durations between 0.1 to 3 μsec, repetition rate of 100 C/s and current intensities of 10 to 15 A, or 25 A peak with the applied pulse duration of 20 μsec, single shot

Digital switched hydraulics

Science.gov (United States)

Pan, Min; Plummer, Andrew

2018-06-01

This paper reviews recent developments in digital switched hydraulics particularly the switched inertance hydraulic systems (SIHSs). The performance of SIHSs is presented in brief with a discussion of several possible configurations and control strategies. The soft switching technology and high-speed switching valve design techniques are discussed. Challenges and recommendations are given based on the current research achievements.

Enhancement of resistive switching properties in Al2O3 bilayer-based atomic switches: multilevel resistive switching

Science.gov (United States)

Vishwanath, Sujaya Kumar; Woo, Hyunsuk; Jeon, Sanghun

2018-06-01

Atomic switches are considered to be building blocks for future non-volatile data storage and internet of things. However, obtaining device structures capable of ultrahigh density data storage, high endurance, and long data retention, and more importantly, understanding the switching mechanisms are still a challenge for atomic switches. Here, we achieved improved resistive switching performance in a bilayer structure containing aluminum oxide, with an oxygen-deficient oxide as the top switching layer and stoichiometric oxide as the bottom switching layer, using atomic layer deposition. This bilayer device showed a high on/off ratio (105) with better endurance (∼2000 cycles) and longer data retention (104 s) than single-oxide layers. In addition, depending on the compliance current, the bilayer device could be operated in four different resistance states. Furthermore, the depth profiles of the hourglass-shaped conductive filament of the bilayer device was observed by conductive atomic force microscopy.

Contralog: a Prolog conform forward-chaining environment and its application for dynamic programming and natural language parsing

Directory of Open Access Journals (Sweden)

Kilián Imre

2016-06-01

Full Text Available The backward-chaining inference strategy of Prolog is inefficient for a number of problems. The article proposes Contralog: a Prolog-conform, forward-chaining language and an inference engine that is implemented as a preprocessor-compiler to Prolog. The target model is Prolog, which ensures mutual switching from Contralog to Prolog and back. The Contralog compiler is implemented using Prolog's de facto standardized macro expansion capability. The article goes into details regarding the target model.

Bimetallic nanoparticles for surface modification and lubrication of MEMS switch contacts

Energy Technology Data Exchange (ETDEWEB)

Patton, Steven T; Hu Jianjun [University of Dayton Research Institute, Dayton, OH 45469-0168 (United States); Slocik, Joseph M; Campbell, Angela; Naik, Rajesh R; Voevodin, Andrey A [Materials and Manufacturing Directorate, Air Force Research Laboratory, Wright-Patterson Air Force Base, OH 45433-7750 (United States)], E-mail: steve.patton@wpafb.af.mil, E-mail: rajesh.naik@wpafb.af.mil

2008-10-08

Reliability continues to be a critical issue in microelectromechanical systems (MEMS) switches. Failure mechanisms include high contact resistance (R), high adhesion, melting/shorting, and contact erosion. Little previous work has addressed the lubrication of MEMS switches. In this study, bimetallic nanoparticles (NPs) are synthesized using a biotemplated approach and deposited on Au MEMS switch contacts as a nanoparticle-based lubricant. Bimetallic nanoparticles are comprised of a metallic core ({approx}10 nm diameter gold nanoparticle) with smaller metallic nanoparticles ({approx}2-3 nm diameter Pd nanoparticles) populating the core surface. Adhesion and resistance (R) were measured during hot switching experiments at low (10 {mu}A) and high (1 mA) current. The Au/Pd NP coated contacts led to reduced adhesion as compared to pure Au contacts with a compromise of slightly higher R. For switches held in the closed position at low current, R gradually decreased over tens of seconds due to increased van der Waals force and growth of the real area of contact with temporal effects being dominant over load effects. Contact behavior transitioned from 'Pd-like' to 'Au-like' during low current cycling experiments. Melting at high current resulted in rapid formation of large real contact area, low and stable R, and minimal effect of load on R. Durability at high current was excellent with no failure through 10{sup 6} hot switching cycles. Improvement at high current is due to controlled nanoscale surface roughness that spreads current through multiple nanocontacts, which restricts the size of melting regions and causes termination of nanowire growth (prevents shorting) during contact opening. Based on these results, bimetallic NPs show excellent potential as surface modifiers/lubricants for MEMS switch contacts.

Intentional preparation of auditory attention-switches: Explicit cueing and sequential switch-predictability.

Science.gov (United States)

Seibold, Julia C; Nolden, Sophie; Oberem, Josefa; Fels, Janina; Koch, Iring

2018-06-01

In an auditory attention-switching paradigm, participants heard two simultaneously spoken number-words, each presented to one ear, and decided whether the target number was smaller or larger than 5 by pressing a left or right key. An instructional cue in each trial indicated which feature had to be used to identify the target number (e.g., female voice). Auditory attention-switch costs were found when this feature changed compared to when it repeated in two consecutive trials. Earlier studies employing this paradigm showed mixed results when they examined whether such cued auditory attention-switches can be prepared actively during the cue-stimulus interval. This study systematically assessed which preconditions are necessary for the advance preparation of auditory attention-switches. Three experiments were conducted that controlled for cue-repetition benefits, modality switches between cue and stimuli, as well as for predictability of the switch-sequence. Only in the third experiment, in which predictability for an attention-switch was maximal due to a pre-instructed switch-sequence and predictable stimulus onsets, active switch-specific preparation was found. These results suggest that the cognitive system can prepare auditory attention-switches, and this preparation seems to be triggered primarily by the memorised switching-sequence and valid expectations about the time of target onset.

Electric field-triggered metal-insulator transition resistive switching of bilayered multiphasic VOx

Science.gov (United States)

Won, Seokjae; Lee, Sang Yeon; Hwang, Jungyeon; Park, Jucheol; Seo, Hyungtak

2018-01-01

Electric field-triggered Mott transition of VO2 for next-generation memory devices with sharp and fast resistance-switching response is considered to be ideal but the formation of single-phase VO2 by common deposition techniques is very challenging. Here, VOx films with a VO2-dominant phase for a Mott transition-based metal-insulator transition (MIT) switching device were successfully fabricated by the combined process of RF magnetron sputtering of V metal and subsequent O2 annealing to form. By performing various material characterizations, including scanning transmission electron microscopy-electron energy loss spectroscopy, the film is determined to have a bilayer structure consisting of a VO2-rich bottom layer acting as the Mott transition switching layer and a V2O5/V2O3 mixed top layer acting as a control layer that suppresses any stray leakage current and improves cyclic performance. This bilayer structure enables excellent electric field-triggered Mott transition-based resistive switching of Pt-VOx-Pt metal-insulator-metal devices with a set/reset current ratio reaching 200, set/reset voltage of less than 2.5 V, and very stable DC cyclic switching upto 120 cycles with a great set/reset current and voltage distribution less than 5% of standard deviation at room temperature, which are specifications applicable for neuromorphic or memory device applications. [Figure not available: see fulltext.

Bias-induced conformational switching of supramolecular networks of trimesic acid at the solid-liquid interface

Science.gov (United States)

Ubink, J.; Enache, M.; Stöhr, M.

2018-05-01

Using the tip of a scanning tunneling microscope, an electric field-induced reversible phase transition between two planar porous structures ("chickenwire" and "flower") of trimesic acid was accomplished at the nonanoic acid/highly oriented pyrolytic graphite interface. The chickenwire structure was exclusively observed for negative sample bias, while for positive sample bias only the more densely packed flower structure was found. We suggest that the slightly negatively charged carboxyl groups of the trimesic acid molecule are the determining factor for this observation: their adsorption behavior varies with the sample bias and is thus responsible for the switching behavior.

LONG-TERM MONITORING OF MODE SWITCHING FOR PSR B0329+54

International Nuclear Information System (INIS)

Chen, J. L.; Wang, N.; Liu, Z. Y.; Yuan, J. P.; Wang, H. G.; Lyne, A.; Jessner, A.; Kramer, M.

2011-01-01

The mode-switching phenomenon of PSR B0329+54 is investigated based on the long-term monitoring from 2003 September to 2009 April made with the Urumqi 25 m radio telescope at 1540 MHz. At that frequency, the change of relative intensity between the leading and trailing components is the predominant feature of mode switching. The intensity ratios between the leading and trailing components are measured for the individual profiles averaged over a few minutes. It is found that the ratios follow normal distributions, where the abnormal mode has a greater typical width than the normal mode, indicating that the abnormal mode is less stable than the normal mode. Our data show that 84.9% of the time for PSR B0329+54 was in the normal mode and 15.1% was in the abnormal mode. From the two passages of eight-day quasi-continuous observations in 2004, supplemented by the daily data observed with the 15 m telescope at 610 MHz at Jodrell Bank Observatory, the intrinsic distributions of mode timescales are constrained with the Bayesian inference method. It is found that the gamma distribution with the shape parameter slightly smaller than 1 is favored over the normal, log-normal, and Pareto distributions. The optimal scale parameters of the gamma distribution are 31.5 minutes for the abnormal mode and 154 minutes for the normal mode. The shape parameters have very similar values, i.e., 0.75 +0.22 – 0 .17 for the normal mode and 0.84 +0.28 – 0 .22 for the abnormal mode, indicating that the physical mechanisms in both modes may be the same. No long-term modulation of the relative intensity ratios was found for either mode, suggesting that the mode switching was stable. The intrinsic timescale distributions, constrained for this pulsar for the first time, provide valuable information to understand the physics of mode switching.

Conformal Infinity

Directory of Open Access Journals (Sweden)

Frauendiener Jörg

2000-08-01

Full Text Available The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, ``conformal infinity'' is related with almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved out of physical issues, namely the need to understand gravitational radiation and isolated systems within the theory of gravitation and how it lends itself very naturally to solve radiation problems in numerical relativity. The fundamental concept of null-infinity is introduced. Friedrich's regular conformal field equations are presented and various initial value problems for them are discussed. Finally, it is shown that the conformal field equations provide a very powerful method within numerical relativity to study global problems such as gravitational wave propagation and detection.

Conformal Infinity.

Science.gov (United States)

Frauendiener, Jörg

2004-01-01

The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, "conformal infinity" is related to almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved from physical issues, namely the need to understand gravitational radiation and isolated systems within the theory of gravitation, and how it lends itself very naturally to the solution of radiation problems in numerical relativity. The fundamental concept of null-infinity is introduced. Friedrich's regular conformal field equations are presented and various initial value problems for them are discussed. Finally, it is shown that the conformal field equations provide a very powerful method within numerical relativity to study global problems such as gravitational wave propagation and detection.

Generation of Q-Switched Mode-Locked Erbium-Doped Fiber Laser Operating in Dark Regime

International Nuclear Information System (INIS)

Tiu, Zian Cheak; Zarei, Arman; Ahmad, Harith; Harun, Sulaiman Wadi

2016-01-01

We demonstrate a stable Q-switched mode-locked erbium-doped fiber laser (EDFL) operating in dark regime based on the nonlinear polarization rotation technique. The EDFL produces a pulse train where the Q-switching envelope is formed by multiple dark pulses. The repetition rate of the Q-switched envelope can be increased from 0.96 kHz to 3.26 kHz, whereas the pulse width reduces from 211 μs to 86 μs. The highest pulse of 479 nJ is obtained at the pump power of 55 mW. It is also observed that the dark pulses inside the Q-switching envelope consist of two parts: square and trailing dark pulses. The shortest pulse width of the dark square pulse is obtained at 40.5 μs when the pump power is fixed at 145 mW. The repetition rate of trailing dark pulses can be increased from 27.62 kHz to 50 kHz as the pump power increases from 55 mW to 145 mW. (paper)

From stable to unstable anomaly-induced inflation

Science.gov (United States)

Netto, Tibério de Paula; Pelinson, Ana M.; Shapiro, Ilya L.; Starobinsky, Alexei A.

2016-10-01

Quantum effects derived through conformal anomaly lead to an inflationary model that can be either stable or unstable. The unstable version requires a large dimensionless coefficient of about 5× {10}^8 in front of the {R}^2 term that results in the inflationary regime in the R+{R}^2 ("Starobinsky") model being a generic intermediate attractor. In this case the non-local terms in the effective action are practically irrelevant, and there is a `graceful exit' to a low curvature matter-like dominated stage driven by high-frequency oscillations of R - scalarons, which later decay to pairs of all particles and antiparticles, with the amount of primordial scalar (density) perturbations required by observations. The stable version is a genuine generic attractor, so there is no exit from it. We discuss a possible transition from stable to unstable phases of inflation. It is shown that this transition is automatic if the sharp cut-off approximation is assumed for quantum corrections in the period of transition. Furthermore, we describe two different quantum mechanisms that may provide a required large {R}^2-term in the transition period.

From stable to unstable anomaly-induced inflation

Energy Technology Data Exchange (ETDEWEB)

Paula Netto, Tiberio de [Universidade Federal de Juiz de Fora, Departamento de Fisica, ICE, Juiz de Fora, MG (Brazil); Pelinson, Ana M. [Universidade Federal de Santa Catarina, Departamento de Fisica, CFM, Bairro da Trindade, Florianopolis, SC (Brazil); Shapiro, Ilya L. [Universidade Federal de Juiz de Fora, Departamento de Fisica, ICE, Juiz de Fora, MG (Brazil); Tomsk State Pedagogical University and Tomsk State University, Tomsk (Russian Federation); Starobinsky, Alexei A. [L.D. Landau Institute for Theoretical Physics RAS, Moscow (Russian Federation); Utrecht University, Department of Physics and Astronomy, Institute for Theoretical Physics, Utrecht (Netherlands)

2016-10-15

Quantum effects derived through conformal anomaly lead to an inflationary model that can be either stable or unstable. The unstable version requires a large dimensionless coefficient of about 5 x 10{sup 8} in front of the R{sup 2} term that results in the inflationary regime in the R+R{sup 2} (''Starobinsky'') model being a generic intermediate attractor. In this case the non-local terms in the effective action are practically irrelevant, and there is a 'graceful exit' to a low curvature matter-like dominated stage driven by high-frequency oscillations of R - scalarons, which later decay to pairs of all particles and antiparticles, with the amount of primordial scalar (density) perturbations required by observations. The stable version is a genuine generic attractor, so there is no exit from it. We discuss a possible transition from stable to unstable phases of inflation. It is shown that this transition is automatic if the sharp cut-off approximation is assumed for quantum corrections in the period of transition. Furthermore, we describe two different quantum mechanisms that may provide a required large R{sup 2}-term in the transition period. (orig.)

Demonstration of Ultra-Fast Switching in Nano metallic Resistive Switching Memory Devices

International Nuclear Information System (INIS)

Yang, Y.

2016-01-01

Interdependency of switching voltage and time creates a dilemma/obstacle for most resistive switching memories, which indicates low switching voltage and ultra-fast switching time cannot be simultaneously achieved. In this paper, an ultra-fast (sub-100 ns) yet low switching voltage resistive switching memory device (“nano metallic ReRAM”) was demonstrated. Experimental switching voltage is found independent of pulse width (intrinsic device property) when the pulse is long but shows abrupt time dependence (“cliff”) as pulse width approaches characteristic RC time of memory device (extrinsic device property). Both experiment and simulation show that the onset of cliff behavior is dependent on physical device size and parasitic resistance, which is expected to diminish as technology nodes shrink down. We believe this study provides solid evidence that nano metallic resistive switching memory can be reliably operated at low voltage and ultra-fast regime, thus beneficial to future memory technology.

Conformational change of oil contaminants adhered onto crystalline alpha-alumina surface in aqueous solution

International Nuclear Information System (INIS)

Xie, Wenkun; Sun, Yazhou; Liu, Haitao; Fu, Hongya; Liang, Yingchun

2016-01-01

Graphical abstract: - Highlights: • Dynamic conformational change process of oil contaminations adhered onto Al-terminated α-Al_2O_3 surface in aqueous solution is given. • Effect of water penetration on the conformational change and even detachment of oil contaminants is considered. • Change of driving forces leading to the conformational change of oil contaminants is described. - Abstract: Microscopic conformational change of oil contaminants adhered onto perfect α-Al_2O_3 (0001) surface in the aqueous solution was simulated by means of detailed fully atomistic molecular dynamics simulations. The main driving forces of the conformation change process of the oil contaminants were explored. The simulation results indicate that with submerging of the contaminated α-Al_2O_3 (0001) surface into the aqueous solution, the oil contaminants undertake an evident conformational change process. The dynamic process can be divided into several stages, including early penetration of water molecules, formation and widening of water channel, and generation of molecularly adsorbed hydration layers. Moreover, the oil contaminants on the α-Al_2O_3 surface are not fully removed from solid surface after a 10 ns relaxation, while a relatively stable oil/water/solid three-phase interface is gradually formed. Further, the residual oil contaminants are finally divided into several new ordered molecular adsorption layers. In addition, by systemically analyzing the driving forces for the conformational change of the oil contaminants, the penetration of water molecules is found to be the most important driving force. With penetrating of the water molecules, the dominating interactions controlling the conformational change of the oil contaminants have been changing over the whole simulation.

Temperature-dependent resistance switching in SrTiO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Li, Jian-kun [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ma, Chao; Ge, Chen, E-mail: kjjin@iphy.ac.cn, E-mail: gechen@iphy.ac.cn; Gu, Lin; He, Xu; Zhou, Wen-jia; Lu, Hui-bin [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Jin, Kui-juan, E-mail: kjjin@iphy.ac.cn, E-mail: gechen@iphy.ac.cn [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China); Zhang, Qing-hua [School of Materials Science and Engineering, State Key Lab of New Ceramics and Fine Processing, Tsinghua University, Beijing 100084 (China); Yang, Guo-zhen [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Collaborative Innovation Center of Quantum Matter, Beijing 100190 (China)

2016-06-13

Resistance switching phenomena were studied by varying temperature in SrTiO{sub 3} single crystal. The resistance hysteresis loops appear at a certain temperature ranging from 340 K to 520 K. With the assistance of 375 nm ultraviolet continuous laser, the sample resistance is greatly reduced, leading to a stable effect than that in dark. These resistance switching phenomena only exist in samples with enough oxygen vacancies, which is confirmed by spherical aberration-corrected scanning transmission electron microscopy measurements, demonstrating an important role played by oxygen vacancies. At temperatures above 340 K, positively charged oxygen vacancies become mobile triggered by external electric field, and the resistance switching effect emerges. Our theoretical results based on drift-diffusion model reveal that the built-in field caused by oxygen vacancies can be altered under external electric field. Therefore, two resistance states are produced under the cooperative effect of built-in field and external field. However, the increasing mobility of oxygen vacancies caused by higher temperature promotes internal electric field to reach equilibrium states quickly, and suppresses the hysteresis loops above 420 K.

Isotope substitution effects on preferred conformations of some hydrocarbon radical cations

International Nuclear Information System (INIS)

Lunell, S.; Eriksson, L.A.

1992-01-01

The stability of different conformational isomers of partially deuterated radical cations of ethane, butane, and cyclopropane is studied at the HF/6-31G** and MP2/6-31G** levels. It is shown that the superposition patterns of spectra corresponding to different isomers, observed in ESR spectroscopy, are accurately reproduced by Boltzmann statistics based on differences in vibrational zero-point energies (ZPE), provided that the temperature is high enough to overcome existing barriers toward internal pseudorotation in the cations. For the ethane and butane cations, the most stable conformations are, as expected, those which are deuterated in the short CH bonds, while this is found not to be the case for the cyclopropane cation. The latter result is explained by shifts in the low-frequency bending modes, which counteract the anticipated isotope effect on the C H stretching modes

Control and switching synchronization of fractional order chaotic systems using active control technique

KAUST Repository

Radwan, A.G.; Moaddy, K.; Salama, Khaled N.; Momani, S.; Hashim, I.

2013-01-01

This paper discusses the continuous effect of the fractional order parameter of the Lü system where the system response starts stable, passing by chaotic behavior then reaching periodic response as the fractional-order increases. In addition, this paper presents the concept of synchronization of different fractional order chaotic systems using active control technique. Four different synchronization cases are introduced based on the switching parameters. Also, the static and dynamic synchronizations can be obtained when the switching parameters are functions of time. The nonstandard finite difference method is used for the numerical solution of the fractional order master and slave systems. Many numeric simulations are presented to validate the concept for different fractional order parameters.

Control and switching synchronization of fractional order chaotic systems using active control technique

KAUST Repository

Radwan, A.G.

2013-03-13

This paper discusses the continuous effect of the fractional order parameter of the Lü system where the system response starts stable, passing by chaotic behavior then reaching periodic response as the fractional-order increases. In addition, this paper presents the concept of synchronization of different fractional order chaotic systems using active control technique. Four different synchronization cases are introduced based on the switching parameters. Also, the static and dynamic synchronizations can be obtained when the switching parameters are functions of time. The nonstandard finite difference method is used for the numerical solution of the fractional order master and slave systems. Many numeric simulations are presented to validate the concept for different fractional order parameters.

Biotin Switch Assays for Quantitation of Reversible Cysteine Oxidation.

Science.gov (United States)

Li, R; Kast, J

2017-01-01

Thiol groups in protein cysteine residues can be subjected to different oxidative modifications by reactive oxygen/nitrogen species. Reversible cysteine oxidation, including S-nitrosylation, S-sulfenylation, S-glutathionylation, and disulfide formation, modulate multiple biological functions, such as enzyme catalysis, antioxidant, and other signaling pathways. However, the biological relevance of reversible cysteine oxidation is typically underestimated, in part due to the low abundance and high reactivity of some of these modifications, and the lack of methods to enrich and quantify them. To facilitate future research efforts, this chapter describes detailed procedures to target the different modifications using mass spectrometry-based biotin switch assays. By switching the modification of interest to a biotin moiety, these assays leverage the high affinity between biotin and avidin to enrich the modification. The use of stable isotope labeling and a range of selective reducing agents facilitate the quantitation of individual as well as total reversible cysteine oxidation. The biotin switch assay has been widely applied to the quantitative analysis of S-nitrosylation in different disease models and is now also emerging as a valuable research tool for other oxidative cysteine modifications, highlighting its relevance as a versatile, robust strategy for carrying out in-depth studies in redox proteomics. © 2017 Elsevier Inc. All rights reserved.

Nucleotide-induced conformational dynamics in ABC transporters from structure-based coarse grained modelling.

Science.gov (United States)

Flechsig, Holger

2016-02-01

ATP-binding cassette (ABC) transporters are integral membrane proteins which mediate the exchange of diverse substrates across membranes powered by ATP molecules. Our understanding of their activity is still hampered since the conformational dynamics underlying the operation of such proteins cannot yet be resolved in detailed molecular dynamics studies. Here a coarse grained model which allows to mimic binding of nucleotides and follow subsequent conformational motions of full-length transporter structures in computer simulations is proposed and implemented. To justify its explanatory quality, the model is first applied to the maltose transporter system for which multiple conformations are known and we find that the model predictions agree remarkably well with the experimental data. For the MalK subunit the switching from open to the closed dimer configuration upon ATP binding is reproduced and, moreover, for the full-length maltose transporter, progression from inward-facing to the outward-facing state is correctly obtained. For the heme transporter HmuUV, for which only the free structure could yet be determined, the model was then applied to predict nucleotide-induced conformational motions. Upon binding of ATP-mimicking ligands the structure changed from a conformation in which the nucleotide-binding domains formed an open shape, to a conformation in which they were found in tight contact, while, at the same time, a pronounced rotation of the transmembrane domains was observed. This finding is supported by normal mode analysis, and, comparison with structural data of the homologous vitamin B12 transporter BtuCD suggests that the observed rotation mechanism may contribute a common functional aspect for this class of ABC transporters. Although in HmuuV noticeable rearrangement of essential transmembrane helices was detected, there are no indications from our simulations that ATP binding alone may facilitate propagation of substrate molecules in this transporter

Conformal Infinity

Directory of Open Access Journals (Sweden)

Frauendiener Jörg

2004-01-01

Full Text Available The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, 'conformal infinity' is related to almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved from physical issues, namely the need to understand gravitational radiation and isolated systems within the theory of gravitation, and how it lends itself very naturally to the solution of radiation problems in numerical relativity. The fundamental concept of null-infinity is introduced. Friedrich's regular conformal field equations are presented and various initial value problems for them are discussed. Finally, it is shown that the conformal field equations provide a very powerful method within numerical relativity to study global problems such as gravitational wave propagation and detection.

Switchable Q-switched and modelocked operation in ytterbium doped fiber laser under all-normal-dispersion configuration

Energy Technology Data Exchange (ETDEWEB)

Mukhopadhyay, Pranb K., E-mail: pkm@rrcat.gov.in; Gupta, Pradeep K.; Singh, Chandra Pal; Singh, Amarjeet; Sharma, Sunil K.; Bindra, Kushvinder S.; Oak, Shrikant M. [Solid State Laser Division, Raja Ramanna Center for Advanced Technology, Indore, M.P. 452013 (India)

2015-03-15

We have constructed an Yb-doped fiber laser in all-normal-dispersion configuration which can be independently operated in Q-switched or modelocked configuration with the help of a simple fiber optic ring resonator (FORR). In the presence of FORR, the laser operates in Q-switched mode producing stable pulses in the range of 1 μs-200 ns with repetition rate in the range of 45 kHz-82 kHz. On the other hand, the laser can be easily switched to mode-locked operation by disjoining the FORR loop producing train of ultrashort pulses of ∼5 ps duration (compressible to ∼150 fs) at ∼38 MHz repetition rate. The transmission characteristics of FORR in combination with the nonlinear polarization rotation for passive Q-switching operation is numerically investigated and experimentally verified. The laser can serve as a versatile seed source for power amplifier which can be easily configured for application in the fields that require different pulsed fiber lasers.

A Digital Hysteresis Current Control for Half-Bridge Inverters with Constrained Switching Frequency

Directory of Open Access Journals (Sweden)

Triet Nguyen-Van

2017-10-01

Full Text Available This paper proposes a new robustly adaptive hysteresis current digital control algorithm for half-bridge inverters, which plays an important role in electric power, and in various applications in electronic systems. The proposed control algorithm is assumed to be implemented on a high-speed Field Programmable Gate Array (FPGA circuit, using measured data with high sampling frequency. The hysteresis current band is computed in each switching modulation period based on both the current error and the negative half switching period during the previous modulation period, in addition to the conventionally used voltages measured at computation instants. The proposed control algorithm is derived by solving the optimization problem—where the switching frequency is always constrained at below the desired constant frequency—which is not guaranteed by the conventional method. The optimization problem also keeps the output current stable around the reference, and minimizes power loss. Simulation results show good performances of the proposed algorithm compared with the conventional one.

Structural characteristics and harmonic vibrational analysis of the stable conformer of 2,3-epoxypropanol by quantum chemical methods.

Science.gov (United States)

Arjunan, V; Rani, T; Santhanam, R; Mohan, S

2012-10-01

The FT-IR and FT-Raman spectra of H bond inner conformer of 2,3-epoxypropanol have been recorded in the regions 3700-400 and 3700-100 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination and overtone bands. The normal coordinate analysis was carried out to confirm the precision of the assignments. The structure of the conformers H bond inner and H bond outer1 were optimised and the structural characteristics were determined by density functional theory (DFT) using B3LYP and MP2 methods with 6-31G** and 6-311++G** basis sets. The vibrational frequencies were calculated in all these methods and were compared with the experimental frequencies which yield good agreement between observed and calculated frequencies. The electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Copyright © 2012 Elsevier B.V. All rights reserved.

Intramolecular BSSE and dispersion affect the structure of a dipeptide conformer

Science.gov (United States)

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.

A Damage-Independent Role for 53BP1 that Impacts Break Order and Igh Architecture during Class Switch Recombination

Directory of Open Access Journals (Sweden)

Pedro P. Rocha

2016-06-01

Full Text Available During class switch recombination (CSR, B cells replace the Igh Cμ or δ exons with another downstream constant region exon (CH, altering the antibody isotype. CSR occurs through the introduction of AID-mediated double-strand breaks (DSBs in switch regions and subsequent ligation of broken ends. Here, we developed an assay to investigate the dynamics of DSB formation in individual cells. We demonstrate that the upstream switch region Sμ is first targeted during recombination and that the mechanism underlying this control relies on 53BP1. Surprisingly, regulation of break order occurs through residual binding of 53BP1 to chromatin before the introduction of damage and independent of its established role in DNA repair. Using chromosome conformation capture, we show that 53BP1 mediates changes in chromatin architecture that affect break order. Finally, our results explain how changes in Igh architecture in the absence of 53BP1 could promote inversional rearrangements that compromise CSR.

Tetrazole acetic acid: Tautomers, conformers, and isomerization

Energy Technology Data Exchange (ETDEWEB)

Araujo-Andrade, C. [Unidad Académica de Física de la Universidad Autónoma de Zacatecas, Zacatecas (Mexico); Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Reva, I., E-mail: reva@qui.uc.pt; Fausto, R. [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal)

2014-02-14

Monomers of (tetrazol-5-yl)-acetic acid (TAA) were obtained by sublimation of the crystalline compound and the resulting vapors were isolated in cryogenic nitrogen matrices at 13 K. The conformational and tautomeric composition of TAA in the matrix was characterized by infrared spectroscopy and vibrational calculations carried out at the B3LYP/6-311++G(d,p) level. TAA may adopt two tautomeric modifications, 1H- and 2H-, depending on the position of the annular hydrogen atom. Two-dimensional potential energy surfaces (PESs) of TAA were theoretically calculated at the MP2/6-311++G(d,p) level, for each tautomer. Four and six symmetry-unique minima were located on these PESs, for 1H- and 2H-TAA, respectively. The energetics of the detected minima was subsequently refined by calculations at the QCISD level. Two 1H- and three 2H-conformers fall within the 0–8 kJ mol{sup −1} energy range and should be appreciably populated at the sublimation temperature (∼330 K). Observation of only one conformer for each tautomer (1ccc and 2pcc) is explained in terms of calculated barriers to conformational rearrangements. All conformers with the cis O=COH moiety are separated by low barriers (less than 10 kJ mol{sup −1}) and collapse to the most stable 1ccc (1H-) and 2pcc (2H-) forms during deposition of the matrix. On the trans O=COH surfaces, the relative energies are very high (between 12 and 27 kJ mol{sup −1}). The trans forms are not thermally populated at the sublimation conditions and were not detected in matrices. One high-energy form in each tautomer, 1cct (1H-) and 2pct (2H-), was found to differ from the most stable form only by rotation of the OH group and separated from other forms by high barriers. This opened a perspective for their stabilization in a matrix. 1cct and 2pct were generated in the matrices selectively by means of narrow-band near-infrared (NIR) irradiations of the samples at 6920 and 6937 cm{sup −1}, where the first OH stretching overtone

DESAIN DAN IMPLEMENTSI SOFT SWITCHING BOOST KONVERTER DENGAN SIMPLE AUXILLARY RESONANT SWITCH (SARC

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Dimas Bagus Saputra

2017-01-01

Full Text Available Boost konverter merupakan penaik tegangan DC ke tegangan DC yang mempunyai tegangan output yang lebih tinggi dibanding inputnya. Penggunaan boost konverter diera modern semakin meningkat dan dibuat dengan dimensi yang lebih kecil, berat yang lebih ringan dan efisiensi yang lebih tinggi dibanding dengan boost konverter generasi terdahulu. Tetapi rugi-rugi periodik saat on/off meningkat. Untuk meraih kriteria tersebut, teknik hard switching boost konverter berevolusi menjadi teknik soft switching dengan menambah rangkaian simple auxiliary resonant circuit (SARC. Karena penambahan rangkaian SARC tersebut konverter bekerja pada kondisi zero-voltage switching switch (ZVS dan zero current switch (ZCS, sehingga saklar semikonduktor tidak bekerja secara hard switching lagi. Pada penelitian ini akan di desain dan diimplementaskan soft switching boost konverter dengan SARC. Kelebihan dari soft switching boost konverter dengan SARC adalah mempunyai efisiensi yang lebih tinggi dibanding dengan boost konverter konventional. Dari hasil implementasi menunjukkan konverter yang diajukan telah meraih zero voltage switch (ZVS. Sehingga boost konverter zero voltage switch (ZVS bisa diaplikasikan pada sistem power suplay yang membutuhkan efisiensi energi yang tinggi terutama pada daya yang tinggi.

Conformational analysis of capsaicin using 13C, 15N MAS NMR, GIAO DFT and GA calculations

Science.gov (United States)

Siudem, Paweł; Paradowska, Katarzyna; Bukowicki, Jarosław

2017-10-01

Capsaicin produced by plants from genus Capsicum exerts multiple pharmacological effects and has found applications in food and pharmaceutical industry. The alkaloid was studied by a combined approach: solid-state NMR, GA conformational search and GIAO DFT methods. The 13C CPMAS NMR spectra were recorded using variable contact time and dipolar dephasing experiments. The results of cross-polarization (CP) kinetics, such as TCP values and long T1ρH (100-200 ms), indicated that the capsaicin molecule is fairly mobile, especially at the end of the aliphatic chain. The15N MAS NMR spectrum showed one narrow signal at -255 ppm. Genetic algorithm (GA) search with multi modal optimization was used to find low-energy conformations of capsaicin. Theoretical GIAO DFT calculations were performed using different basis sets to characterize five selected conformations. 13C CPMAS NMR was used as a validation method and the experimental chemical shifts were compared with those calculated for selected stable conformers. Conformational analysis suggests that the side chain can be bent or extended. A comparison of the experimental and the calculated chemical shifts indicates that solid capsaicin does not have the same structure as those established by PWXRD.

Logarithmic conformal field theory through nilpotent conformal dimensions

International Nuclear Information System (INIS)

Moghimi-Araghi, S.; Rouhani, S.; Saadat, M.

2001-01-01

We study logarithmic conformal field theories (LCFTs) through the introduction of nilpotent conformal weights. Using this device, we derive the properties of LCFTs such as the transformation laws, singular vectors and the structure of correlation functions. We discuss the emergence of an extra energy momentum tensor, which is the logarithmic partner of the energy momentum tensor

Viscous conformal gauge theories

DEFF Research Database (Denmark)

Toniato, Arianna; Sannino, Francesco; Rischke, Dirk H.

2017-01-01

We present the conformal behavior of the shear viscosity-to-entropy density ratio and the fermion-number diffusion coefficient within the perturbative regime of the conformal window for gauge-fermion theories.......We present the conformal behavior of the shear viscosity-to-entropy density ratio and the fermion-number diffusion coefficient within the perturbative regime of the conformal window for gauge-fermion theories....

Saturated Switching Systems

CERN Document Server

Benzaouia, Abdellah

2012-01-01

Saturated Switching Systems treats the problem of actuator saturation, inherent in all dynamical systems by using two approaches: positive invariance in which the controller is designed to work within a region of non-saturating linear behaviour; and saturation technique which allows saturation but guarantees asymptotic stability. The results obtained are extended from the linear systems in which they were first developed to switching systems with uncertainties, 2D switching systems, switching systems with Markovian jumping and switching systems of the Takagi-Sugeno type. The text represents a thoroughly referenced distillation of results obtained in this field during the last decade. The selected tool for analysis and design of stabilizing controllers is based on multiple Lyapunov functions and linear matrix inequalities. All the results are illustrated with numerical examples and figures many of them being modelled using MATLAB®. Saturated Switching Systems will be of interest to academic researchers in con...

Phenotypic Characterization and Multivariate Analysis to Explain Body Conformation in Lesser Known Buffalo (Bubalus bubalis) from North India

Science.gov (United States)

Vohra, V.; Niranjan, S. K.; Mishra, A. K.; Jamuna, V.; Chopra, A.; Sharma, Neelesh; Jeong, Dong Kee

2015-01-01

Phenotypic characterization and body biometric in 13 traits (height at withers, body length, chest girth, paunch girth, ear length, tail length, length of tail up to switch, face length, face width, horn length, circumference of horn at base, distances between pin bone and hip bone) were recorded in 233 adult Gojri buffaloes from Punjab and Himachal Pradesh states of India. Traits were analysed by using varimax rotated principal component analysis (PCA) with Kaiser Normalization to explain body conformation. PCA revealed four components which explained about 70.9% of the total variation. First component described the general body conformation and explained 31.5% of total variation. It was represented by significant positive high loading of height at wither, body length, heart girth, face length and face width. The communality ranged from 0.83 (hip bone distance) to 0.45 (horn length) and unique factors ranged from 0.16 to 0.55 for all these 13 different biometric traits. Present study suggests that first principal component can be used in the evaluation and comparison of body conformation in buffaloes and thus provides an opportunity to distinguish between early and late maturing to adult, based on a small group of biometric traits to explain body conformation in adult buffaloes. PMID:25656215

Conformation-dependent DNA attraction.

Science.gov (United States)

Li, Weifeng; Nordenskiöld, Lars; Zhou, Ruhong; Mu, Yuguang

2014-06-21

Understanding how DNA molecules interact with other biomolecules is related to how they utilize their functions and is therefore critical for understanding their structure-function relationships. For a long time, the existence of Z-form DNA (a left-handed double helical version of DNA, instead of the common right-handed B-form) has puzzled the scientists, and the definitive biological significance of Z-DNA has not yet been clarified. In this study, the effects of DNA conformation in DNA-DNA interactions are explored by molecular dynamics simulations. Using umbrella sampling, we find that for both B- and Z-form DNA, surrounding Mg(2+) ions always exert themselves to screen the Coulomb repulsion between DNA phosphates, resulting in very weak attractive force. On the contrary, a tight and stable bound state is discovered for Z-DNA in the presence of Mg(2+) or Na(+), benefiting from their hydrophobic nature. Based on the contact surface and a dewetting process analysis, a two-stage binding process of Z-DNA is outlined: two Z-DNA first attract each other through charge screening and Mg(2+) bridges to phosphate groups in the same way as that of B-DNA, after which hydrophobic contacts of the deoxyribose groups are formed via a dewetting effect, resulting in stable attraction between two Z-DNA molecules. The highlighted hydrophobic nature of Z-DNA interaction from the current study may help to understand the biological functions of Z-DNA in gene transcription.

Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.

Science.gov (United States)

Choy, Meng S; Li, Yang; Machado, Luciana E S F; Kunze, Micha B A; Connors, Christopher R; Wei, Xingyu; Lindorff-Larsen, Kresten; Page, Rebecca; Peti, Wolfgang

2017-02-16

Protein function originates from a cooperation of structural rigidity, dynamics at different timescales, and allostery. However, how these three pillars of protein function are integrated is still only poorly understood. Here we show how these pillars are connected in Protein Tyrosine Phosphatase 1B (PTP1B), a drug target for diabetes and cancer that catalyzes the dephosphorylation of numerous substrates in essential signaling pathways. By combining new experimental and computational data on WT-PTP1B and ≥10 PTP1B variants in multiple states, we discovered a fundamental and evolutionarily conserved CH/π switch that is critical for positioning the catalytically important WPD loop. Furthermore, our data show that PTP1B uses conformational and dynamic allostery to regulate its activity. This shows that both conformational rigidity and dynamics are essential for controlling protein activity. This connection between rigidity and dynamics at different timescales is likely a hallmark of all enzyme function. Copyright © 2017 Elsevier Inc. All rights reserved.

Conformation regulation of the X chromosome inactivation center: a model.

Directory of Open Access Journals (Sweden)

Antonio Scialdone

2011-10-01

Full Text Available X-Chromosome Inactivation (XCI is the process whereby one, randomly chosen X becomes transcriptionally silenced in female cells. XCI is governed by the Xic, a locus on the X encompassing an array of genes which interact with each other and with key molecular factors. The mechanism, though, establishing the fate of the X's, and the corresponding alternative modifications of the Xic architecture, is still mysterious. In this study, by use of computer simulations, we explore the scenario where chromatin conformations emerge from its interaction with diffusing molecular factors. Our aim is to understand the physical mechanisms whereby stable, non-random conformations are established on the Xic's, how complex architectural changes are reliably regulated, and how they lead to opposite structures on the two alleles. In particular, comparison against current experimental data indicates that a few key cis-regulatory regions orchestrate the organization of the Xic, and that two major molecular regulators are involved.

Conformal invariance in supergravity

International Nuclear Information System (INIS)

Bergshoeff, E.A.

1983-01-01

In this thesis the author explains the role of conformal invariance in supergravity. He presents the complete structure of extended conformal supergravity for N <= 4. The outline of this work is as follows. In chapter 2 he briefly summarizes the essential properties of supersymmetry and supergravity and indicates the use of conformal invariance in supergravity. The idea that the introduction of additional symmetry transformations can make clear the structure of a field theory is not reserved to supergravity only. By means of some simple examples it is shown in chapter 3 how one can always introduce additional gauge transformations in a theory of massive vector fields. Moreover it is shown how the gauge invariant formulation sometimes explains the quantum mechanical properties of the theory. In chapter 4 the author defines the conformal transformations and summarizes their main properties. He explains how these conformal transformations can be used to analyse the structure of gravity. The supersymmetric extension of these results is discussed in chapter 5. Here he describes as an example how N=1 supergravity can be reformulated in a conformally-invariant way. He also shows that beyond N=1 the gauge fields of the superconformal symmetries do not constitute an off-shell field representation of extended conformal supergravity. Therefore, in chapter 6, a systematic method to construct the off-shell formulation of all extended conformal supergravity theories with N <= 4 is developed. As an example he uses this method to construct N=1 conformal supergravity. Finally, in chapter 7 N=4 conformal supergravity is discussed. (Auth.)

Electronic logic to enhance switch reliability in detecting openings and closures of redundant switches

Science.gov (United States)

Cooper, James A.

1986-01-01

A logic circuit is used to enhance redundant switch reliability. Two or more switches are monitored for logical high or low output. The output for the logic circuit produces a redundant and failsafe representation of the switch outputs. When both switch outputs are high, the output is high. Similarly, when both switch outputs are low, the logic circuit's output is low. When the output states of the two switches do not agree, the circuit resolves the conflict by memorizing the last output state which both switches were simultaneously in and produces the logical complement of this output state. Thus, the logic circuit of the present invention allows the redundant switches to be treated as if they were in parallel when the switches are open and as if they were in series when the switches are closed. A failsafe system having maximum reliability is thereby produced.

Electrostatic actuation and electromechanical switching behavior of one-dimensional nanostructures.

Science.gov (United States)

Subramanian, Arunkumar; Alt, Andreas R; Dong, Lixin; Kratochvil, Bradley E; Bolognesi, Colombo R; Nelson, Bradley J

2009-10-27

We report on the electromechanical actuation and switching performance of nanoconstructs involving doubly clamped, individual multiwalled carbon nanotubes. Batch-fabricated, three-state switches with low ON-state voltages (6.7 V average) are demonstrated. A nanoassembly architecture that permits individual probing of one device at a time without crosstalk from other nanotubes, which are originally assembled in parallel, is presented. Experimental investigations into device performance metrics such as hysteresis, repeatability and failure modes are presented. Furthermore, current-driven shell etching is demonstrated as a tool to tune the nanomechanical clamping configuration, stiffness, and actuation voltage of fabricated devices. Computational models, which take into account the nonlinearities induced by stress-stiffening of 1-D nanowires at large deformations, are presented. Apart from providing accurate estimates of device performance, these models provide new insights into the extension of stable travel range in electrostatically actuated nanowire-based constructs as compared to their microscale counterparts.

A pH-induced conformational switch in a tyrosine kinase inhibitor identified by electronic spectroscopy and quantum chemical calculations.

Science.gov (United States)

Khattab, Muhammad; Wang, Feng; Clayton, Andrew H A

2017-11-24

Tyrosine kinase inhibitors (TKIs) are a major class of drug utilised in the clinic. During transit to their cognate kinases, TKIs will encounter different pH environments that could have a major influence on TKI structure. To address this, we report UV-Vis spectroscopic and computational studies of the TKI, AG1478, as a function of pH. The electronic absorption spectrum of AG1478 shifted by 10 nm (from 342 nm to 332 nm) from acid to neutral pH and split into two peaks (at 334 nm and 345 nm) in highly alkaline conditions. From these transitions, the pKa value was calculated as 5.58 ± 0.01. To compute structures and spectra, time-dependent density functional theory (TD-DFT) calculations were performed along with conductor-like polarizable continuum model (CPCM) to account for implicit solvent effect. On the basis of the theoretical spectra, we could assign the AG1478 experimental spectrum at acidic pH to a mixture of two twisted conformers (71% AG1478 protonated at quinazolyl nitrogen N(1) and 29% AG1478 protonated at quinazolyl nitrogen N(3)) and at neutral pH to the neutral planar conformer. The AG1478 absorption spectrum (pH 13.3) was fitted to a mixture of neutral (70%) and NH-deprotonated species (30%). These studies reveal a pH-induced conformational transition in a TKI.

Switch loop flexibility affects substrate transport of the AcrB efflux pump

International Nuclear Information System (INIS)

Muller, Reinke T.; Travers, Timothy; Cha, Hi-jea; Phillips, Joshua L.

2017-01-01

The functionally important switch-loop of the trimeric multidrug transporter AcrB separates the access and deep drug binding pockets in every protomer. This loop, comprising 11 amino acid residues, has been shown to be crucial for substrate transport, as drugs have to travel past the loop to reach the deep binding pocket and from there are transported outside the cell via the connected AcrA and TolC channels. It contains four symmetrically arranged glycine residues suggesting that flexibility is a key feature for pump activity. Upon combinatorial substitution of these glycine residues to proline, functional and structural asymmetry was observed. Proline substitutions on the PC1 proximal side completely abolished transport and reduced backbone flexibility of the switch loop, which adopted a conformation restricting the pathway towards the deep binding pocket. Here, two phenylalanine residues located adjacent to the substitution sensitive glycine residues play a role in blocking the pathway upon rigidification of the loop, since the removal of the phenyl rings from the rigid loop restores drug transport activity.

Multiple conformational states of DnaA protein regulate its interaction with DnaA boxes in the initiation of DNA replication.

Science.gov (United States)

Patel, Meera J; Bhatia, Lavesh; Yilmaz, Gulden; Biswas-Fiss, Esther E; Biswas, Subhasis B

2017-09-01

DnaA protein is the initiator of genomic DNA replication in prokaryotes. It binds to specific DNA sequences in the origin of DNA replication and unwinds small AT-rich sequences downstream for the assembly of the replisome. The mechanism of activation of DnaA that enables it to bind and organize the origin DNA and leads to replication initiation remains unclear. In this study, we have developed double-labeled fluorescent DnaA probes to analyze conformational states of DnaA protein upon binding DNA, nucleotide, and Soj sporulation protein using Fluorescence Resonance Energy Transfer (FRET). Our studies demonstrate that DnaA protein undergoes large conformational changes upon binding to substrates and there are multiple distinct conformational states that enable it to initiate DNA replication. DnaA protein adopted a relaxed conformation by expanding ~15Å upon binding ATP and DNA to form the ATP·DnaA·DNA complex. Hydrolysis of bound ATP to ADP led to a contraction of DnaA within the complex. The relaxed conformation of DnaA is likely required for the formation of the multi-protein ATP·DnaA·DNA complex. In the initiation of sporulation, Soj binding to DnaA prevented relaxation of its conformation. Soj·ADP appeared to block the activation of DnaA, suggesting a mechanism for Soj·ADP in switching initiation of DNA replication to sporulation. Our studies demonstrate that multiple conformational states of DnaA protein regulate its binding to DNA in the initiation of DNA replication. Copyright © 2017 Elsevier B.V. All rights reserved.

Switched capacitor DC-DC converter with switch conductance modulation and Pesudo-fixed frequency control

DEFF Research Database (Denmark)

Larsen, Dennis Øland; Vinter, Martin; Jørgensen, Ivan Harald Holger

A switched capacitor dc-dc converter with frequency-planned control is presented. By splitting the output stage switches in eight segments the output voltage can be regulated with a combination of switching frequency and switch conductance. This allows for switching at predetermined frequencies, 31...

All ITO-based transparent resistive switching random access memory using oxygen doping method

International Nuclear Information System (INIS)

Kim, Hee-Dong; Yun, Min Ju; Kim, Sungho

2015-01-01

Recently, transparent memory would be useful in invisible electronics. In this work, for the first time we present a feasibility of stable unipolar resistive switching (RS) characteristics with reset current of sub-micron ampere for the fully transparent ITO/oxygen-doped ITO/ITO memory capacitors, i.e., all ITO structures, produced by sputtering method, which shows a high optical transmittance of approximately 80% in the visible region as well as near ultra-violet region. In addition, in a RS test to evaluate a reliability for the proposed memory devices, we observed a stable endurance of >100 cycles and a retention time of >10 4  s at 85 °C, with a current ratio of ∼10 2 to ∼10 3 . This result indicates that this transparent memory by engineering the amount of oxygen ions within the ITO films could be a milestone for future see-through electronic devices. - Highlights: • The resistive switching characteristics of the transparent ITO/O-doped ITO/ITO RRAM cells have investigated. • All ITO-based RRAM cell is achieved using oxygen doping method. • Good endurance and long retention time were observed.

Effective switching frequency multiplier inverter

Science.gov (United States)

Su, Gui-Jia [Oak Ridge, TN; Peng, Fang Z [Okemos, MI

2007-08-07

A switching frequency multiplier inverter for low inductance machines that uses parallel connection of switches and each switch is independently controlled according to a pulse width modulation scheme. The effective switching frequency is multiplied by the number of switches connected in parallel while each individual switch operates within its limit of switching frequency. This technique can also be used for other power converters such as DC/DC, AC/DC converters.

Conformational dynamism for DNA interaction in the Salmonella RcsB response regulator.

Science.gov (United States)

Casino, Patricia; Miguel-Romero, Laura; Huesa, Juanjo; García, Pablo; García-Del Portillo, Francisco; Marina, Alberto

2018-01-09

The RcsCDB phosphorelay system controls an extremely large regulon in Enterobacteriaceae that involves processes such as biofilm formation, flagella production, synthesis of extracellular capsules and cell division. Therefore, fine-tuning of this system is essential for virulence in pathogenic microorganisms of this group. The final master effector of the RcsCDB system is the response regulator (RR) RcsB, which activates or represses multiple genes by binding to different promoter regions. This regulatory activity of RcsB can be done alone or in combination with additional transcriptional factors in phosphorylated or dephosphorylated states. The capacity of RcsB to interact with multiple promoters and partners, either dephosphorylated or phosphorylated, suggests an extremely conformational dynamism for this RR. To shed light on the activation mechanism of RcsB and its implication on promoter recognition, we solved the crystal structure of full-length RcsB from Salmonella enterica serovar Typhimurium in the presence and absence of a phosphomimetic molecule BeF3-. These two novel structures have guided an extensive site-directed mutagenesis study at the structural and functional level that confirms RcsB conformational plasticity and dynamism. Our data allowed us to propose a β5-T switch mechanism where phosphorylation is coupled to alternative DNA binding ways and which highlights the conformational dynamism of RcsB to be so pleiotropic. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Characterizing highly dynamic conformational states: The transcription bubble in RNAP-promoter open complex as an example

Science.gov (United States)

Lerner, Eitan; Ingargiola, Antonino; Weiss, Shimon

2018-03-01

Bio-macromolecules carry out complicated functions through structural changes. To understand their mechanism of action, the structure of each step has to be characterized. While classical structural biology techniques allow the characterization of a few "structural snapshots" along the enzymatic cycle (usually of stable conformations), they do not cover all (and often fast interconverting) structures in the ensemble, where each may play an important functional role. Recently, several groups have demonstrated that structures of different conformations in solution could be solved by measuring multiple distances between different pairs of residues using single-molecule Förster resonance energy transfer (smFRET) and using them as constrains for hybrid/integrative structural modeling. However, this approach is limited in cases where the conformational dynamics is faster than the technique's temporal resolution. In this study, we combine existing tools that elucidate sub-millisecond conformational dynamics together with hybrid/integrative structural modeling to study the conformational states of the transcription bubble in the bacterial RNA polymerase-promoter open complex (RPo). We measured microsecond alternating laser excitation-smFRET of differently labeled lacCONS promoter dsDNA constructs. We used a combination of burst variance analysis, photon-by-photon hidden Markov modeling, and the FRET-restrained positioning and screening approach to identify two conformational states for RPo. The experimentally derived distances of one conformational state match the known crystal structure of bacterial RPo. The experimentally derived distances of the other conformational state have characteristics of a scrunched RPo. These findings support the hypothesis that sub-millisecond dynamics in the transcription bubble are responsible for transcription start site selection.

Dark matter as a ghost free conformal extension of Einstein theory

International Nuclear Information System (INIS)

Barvinsky, A.O.

2014-01-01

We discuss ghost free models of the recently suggested mimetic dark matter theory. This theory is shown to be a conformal extension of Einstein general relativity. Dark matter originates from gauging out its local Weyl invariance as an extra degree of freedom which describes a potential flow of the pressureless perfect fluid. For a positive energy density of this fluid the theory is free of ghost instabilities, which gives strong preference to stable configurations with a positive scalar curvature and trace of the matter stress tensor. Instabilities caused by caustics of the geodesic flow, inherent in this model, serve as a motivation for an alternative conformal extension of Einstein theory, based on the generalized Proca vector field. A potential part of this field modifies the inflationary stage in cosmology, whereas its rotational part at the post inflationary epoch might simulate rotating flows of dark matter

Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.

Directory of Open Access Journals (Sweden)

Zeynab Mohammad Hosseini Naveh

Full Text Available Despite the large number of studies available on nicotinic acetylcholine receptors, a complete account of the mechanistic aspects of their gating transition in response to ligand binding still remains elusive. As a first step toward dissecting the transition mechanism by accelerated sampling techniques, we study the ligand-induced conformational changes of the acetylcholine binding protein (AChBP, a widely accepted model for the full receptor extracellular domain. Using unbiased Molecular Dynamics (MD and Temperature Accelerated Molecular Dynamics (TAMD simulations we investigate the AChBP transition between the apo and the agonist-bound state. In long standard MD simulations, both conformations of the native protein are stable, while the agonist-bound structure evolves toward the apo one if the orientation of few key sidechains in the orthosteric cavity is modified. Conversely, TAMD simulations initiated from the native conformations are able to produce the spontaneous transition. With respect to the modified conformations, TAMD accelerates the transition by at least a factor 10. The analysis of some specific residue-residue interactions points out that the transition mechanism is based on the disruption/formation of few key hydrogen bonds. Finally, while early events of ligand dissociation are observed already in standard MD, TAMD accelerates the ligand detachment and, at the highest TAMD effective temperature, it is able to produce a complete dissociation path in one AChBP subunit.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution.

Science.gov (United States)

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M Eugenia; Molteni, Carla

2017-04-14

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

Science.gov (United States)

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M. Eugenia; Molteni, Carla

2017-04-01

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

Role and structural mechanism of WASP-triggered conformational changes in branched actin filament nucleation by Arp2/3 complex.

Science.gov (United States)

Rodnick-Smith, Max; Luan, Qing; Liu, Su-Ling; Nolen, Brad J

2016-07-05

The Arp2/3 (Actin-related proteins 2/3) complex is activated by WASP (Wiskott-Aldrich syndrome protein) family proteins to nucleate branched actin filaments that are important for cellular motility. WASP recruits actin monomers to the complex and stimulates movement of Arp2 and Arp3 into a "short-pitch" conformation that mimics the arrangement of actin subunits within filaments. The relative contribution of these functions in Arp2/3 complex activation and the mechanism by which WASP stimulates the conformational change have been unknown. We purified budding yeast Arp2/3 complex held in or near the short-pitch conformation by an engineered covalent cross-link to determine if the WASP-induced conformational change is sufficient for activity. Remarkably, cross-linked Arp2/3 complex bypasses the need for WASP in activation and is more active than WASP-activated Arp2/3 complex. These data indicate that stimulation of the short-pitch conformation is the critical activating function of WASP and that monomer delivery is not a fundamental requirement for nucleation but is a specific requirement for WASP-mediated activation. During activation, WASP limits nucleation rates by releasing slowly from nascent branches. The cross-linked complex is inhibited by WASP's CA region, even though CA potently stimulates cross-linking, suggesting that slow WASP detachment masks the activating potential of the short-pitch conformational switch. We use structure-based mutations and WASP-Arp fusion chimeras to determine how WASP stimulates movement toward the short-pitch conformation. Our data indicate that WASP displaces the autoinhibitory Arp3 C-terminal tail from a hydrophobic groove at Arp3's barbed end to destabilize the inactive state, providing a mechanism by which WASP stimulates the short-pitch conformation and activates Arp2/3 complex.

DNA minor groove electrostatic potential: influence of sequence-specific transitions of the torsion angle gamma and deoxyribose conformations.

Science.gov (United States)

Zhitnikova, M Y; Shestopalova, A V

2017-11-01

The structural adjustments of the sugar-phosphate DNA backbone (switching of the γ angle (O5'-C5'-C4'-C3') from canonical to alternative conformations and/or C2'-endo → C3'-endo transition of deoxyribose) lead to the sequence-specific changes in accessible surface area of both polar and non-polar atoms of the grooves and the polar/hydrophobic profile of the latter ones. The distribution of the minor groove electrostatic potential is likely to be changing as a result of such conformational rearrangements in sugar-phosphate DNA backbone. Our analysis of the crystal structures of the short free DNA fragments and calculation of their electrostatic potentials allowed us to determine: (1) the number of classical and alternative γ angle conformations in the free B-DNA; (2) changes in the minor groove electrostatic potential, depending on the conformation of the sugar-phosphate DNA backbone; (3) the effect of the DNA sequence on the minor groove electrostatic potential. We have demonstrated that the structural adjustments of the DNA double helix (the conformations of the sugar-phosphate backbone and the minor groove dimensions) induce changes in the distribution of the minor groove electrostatic potential and are sequence-specific. Therefore, these features of the minor groove sizes and distribution of minor groove electrostatic potential can be used as a signal for recognition of the target DNA sequence by protein in the implementation of the indirect readout mechanism.

Conformational Stability, Structural Parameters And Vibrational Assignments of Allantoin

International Nuclear Information System (INIS)

Haman, S.

2008-01-01

Allantoin 2,5-Dioxo-4-imidazolinyl) urea , the diureide of glyoxylic acid, is a crystallisable oxidation product of uric acid found in allantoic and amniotic fluids, in fetal urine and in many plants. It is a healing, moisturizing, soothing and anti-irritating, keratolytic and non-toxic agent useful in dermatological, cosmetic and veterinary preparation. The optimized geometries and energies of the low-energy conformers of allantoin have been calculated using density functional theory (Daft) method. The calculations were performed with Beck's nonlocal three-parameter hybrid functional in combination with the Lee, Yang, and Parr correlation functional (By-play) using the 6-311++G(d,p) basis set. We calculated the infrared frequencies and intensities of the most stable conformers in order to assist in the assignment of the vibrational bands in the experimental spectrum. The B3LYP/6-311+G(d,p) harmonic force constants were scaled by applying the scaled quantum mechanical force field (SQM) technique. The calculated vibrational spectra were interpreted and band assignments were reported

Conformal flight path symbology for head-up displays: Defining the distribution of visual attention in three-dimensional space

Science.gov (United States)

Ververs, Patricia May

An extensive investigation of the format for head-up display (HUD) instrumentation was conducted in a two-part experiment. First, a pilot's information requirements for the tasks of approach, landing, and taxi were determined through a survey administered to professional commercial pilots via the world wide web. The results of the survey were applied in the development of two symbology sets, one set for flight navigation and the second for ground navigation. Second, twenty pilots from the University of Illinois at Urbana-Champaign were recruited to participate in a 3-day experiment. The study was designed to investigate the format for symbology on HUDs and the performance effects of using conformal and partially conformal symbology to support the pilots' tasks. In addition, two different methods were investigated for supporting the pilots' transition between the task of flying and the task of landing. A seamless transition used visual momentum techniques to smoothly guide the pilots' cognitive transition between the serial displays and the associated tasks. A seamed approach employed an abrupt change between the displays to alert the pilots of the task switch. The results indicate that incorporating a virtually conformal, tunnel-in-the-sky symbology into a complete HUD instrumentation set offers promising pilot performance effects. Pilots easily navigated the complex curved approaches with little to no deviation from the flight path (approximately 10 feet), while performing the secondary tasks of the scanning their instruments and the environment. The seamless transition between the flight and ground symbology offered the pilots a preview of the upcoming landing task, thereby preparing them for the task switch. On the ground, the perspective (scene-linked) symbology set supported landing and taxi navigation tasks with the equal efficiency to the plan view display but with much greater precision. Theories of allocation of attention were used to interpret the

Latching micro optical switch

Science.gov (United States)

Garcia, Ernest J; Polosky, Marc A

2013-05-21

An optical switch reliably maintains its on or off state even when subjected to environments where the switch is bumped or otherwise moved. In addition, the optical switch maintains its on or off state indefinitely without requiring external power. External power is used only to transition the switch from one state to the other. The optical switch is configured with a fixed optical fiber and a movable optical fiber. The movable optical fiber is guided by various actuators in conjunction with a latching mechanism that configure the switch in one position that corresponds to the on state and in another position that corresponds to the off state.

Ecological forensics: using single point stable isotope values to infer seasonal schedules of animals after two diet switches

NARCIS (Netherlands)

Jouta, J.; Dietz, M.W.; Reneerkens, J.; Piersma, T.; Rakhimberdiev, E.; Hallgrimsson, G.T.; Pen, I.

2017-01-01

1.Animals adjust to seasonal challenges in physical, behavioural and spatial ways. Such adjustments are commonly associated with diet changes that often can be characterised isotopically.2.We introduce the ‘double diet switch model’, with which the occurrence and timing of two subsequent diet

Resistive switching memory properties of layer-by-layer assembled enzyme multilayers

International Nuclear Information System (INIS)

Baek, Hyunhee; Cho, Jinhan; Lee, Chanwoo; Lim, Kwang-il

2012-01-01

The properties of enzymes, which can cause reversible changes in currents through redox reactions in solution, are of fundamental and practical importance in bio-electrochemical applications. These redox properties of enzymes are often associated with their charge-trap sites. Here, we demonstrate that reversible changes in resistance in dried lysozyme (LYS) films can be generated by an externally applied voltage as a result of charge trap/release. Based on such changes, LYS can be used as resistive switching active material for nonvolatile memory devices. In this study, cationic LYS and anionic poly(styrene sulfonate) (PSS) layers were alternately deposited onto Pt-coated silicon substrates using a layer-by-layer assembly method. Then, top electrodes were deposited onto the top of LYS/PSS multilayers to complete the fabrication of the memory-like device. The LYS/PSS multilayer devices exhibited typical resistive switching characteristics with an ON/OFF current ratio above 10 2 , a fast switching speed of 100 ns and stable performance. Furthermore, the insertion of insulating polyelectrolytes (PEs) between the respective LYS layers significantly enhanced the memory performance of the devices showing a high ON/OFF current ratio of ∼10 6 and low levels of power consumption. (paper)

Tau can switch microtubule network organizations: from random networks to dynamic and stable bundles.

Science.gov (United States)

Prezel, Elea; Elie, Auréliane; Delaroche, Julie; Stoppin-Mellet, Virginie; Bosc, Christophe; Serre, Laurence; Fourest-Lieuvin, Anne; Andrieux, Annie; Vantard, Marylin; Arnal, Isabelle

2018-01-15

In neurons, microtubule networks alternate between single filaments and bundled arrays under the influence of effectors controlling their dynamics and organization. Tau is a microtubule bundler that stabilizes microtubules by stimulating growth and inhibiting shrinkage. The mechanisms by which tau organizes microtubule networks remain poorly understood. Here, we studied the self-organization of microtubules growing in the presence of tau isoforms and mutants. The results show that tau's ability to induce stable microtubule bundles requires two hexapeptides located in its microtubule-binding domain and is modulated by its projection domain. Site-specific pseudophosphorylation of tau promotes distinct microtubule organizations: stable single microtubules, stable bundles, or dynamic bundles. Disease-related tau mutations increase the formation of highly dynamic bundles. Finally, cryo-electron microscopy experiments indicate that tau and its variants similarly change the microtubule lattice structure by increasing both the protofilament number and lattice defects. Overall, our results uncover novel phosphodependent mechanisms governing tau's ability to trigger microtubule organization and reveal that disease-related modifications of tau promote specific microtubule organizations that may have a deleterious impact during neurodegeneration. © 2018 Prezel, Elie, et al. This article is distributed by The American Society for Cell Biology under license from the author(s). Two months after publication it is available to the public under an Attribution–Noncommercial–Share Alike 3.0 Unported Creative Commons License (http://creativecommons.org/licenses/by-nc-sa/3.0).

Avalanche photoconductive switching

Science.gov (United States)

Pocha, M. D.; Druce, R. L.; Wilson, M. J.; Hofer, W. W.

This paper describes work being done at Lawrence Livermore National Laboratory on the avalanche mode of operation of laser triggered photoconductive switches. We have been able to generate pulses with amplitudes of 2 kV to 35 kV and rise times of 300 to 500 ps, and with a switching gain (energy of output electrical pulse vs energy of trigger optical pulse) of 10(exp 3) to over 10(exp 5). Switches with two very different physical configurations and with two different illumination wavelengths (1.06 micrometer, 890 nm) exhibit very similar behavior. The avalanche switching behavior, therefore, appears to be related to the material parameters rather than the optical wavelength or switch geometry. Considerable further work needs to be done to fully characterize and understand this mode of operation.

Avalanche photoconductive switching

Energy Technology Data Exchange (ETDEWEB)

Pocha, M.D.; Druce, R.L.; Wilson, M.J.; Hofer, W.W.

1989-01-01

This paper describes work being done at Lawrence Livermore National Laboratory on the avalanche mode of operation of laser triggered photoconductive switches. We have been able to generate pulses with amplitudes of 2 kV--35 kV and rise times of 300--500 ps, and with a switching gain (energy of output electrical pulse vs energy of trigger optical pulse) of 10{sup 3} to over 10{sup 5}. Switches with two very different physical configurations and with two different illumination wavelengths (1.06 {mu}m, 890 nm) exhibit very similar behavior. The avalanche switching behavior, therefore, appears to be related to the material parameters rather than the optical wavelength or switch geometry. Considerable further work needs to be done to fully characterize and understand this mode of operation. 3 refs., 6 figs.

160-Gb/s Silicon All-Optical Packet Switch for Buffer-less Optical Burst Switching

DEFF Research Database (Denmark)

Hu, Hao; Ji, Hua; Pu, Minhao

2015-01-01

We experimentally demonstrate a 160-Gb/s Ethernet packet switch using an 8.6-mm-long silicon nanowire for optical burst switching, based on cross phase modulation in silicon. One of the four packets at the bit rate of 160 Gb/s is switched by an optical control signal using a silicon based 1 × 1 all......-optical packet switch. Error free performance (BER silicon packet switch based optical burst switching, which might be desirable for high-speed interconnects within a short...

Exponentially convergent state estimation for delayed switched recurrent neural networks.

Science.gov (United States)

Ahn, Choon Ki

2011-11-01

This paper deals with the delay-dependent exponentially convergent state estimation problem for delayed switched neural networks. A set of delay-dependent criteria is derived under which the resulting estimation error system is exponentially stable. It is shown that the gain matrix of the proposed state estimator is characterised in terms of the solution to a set of linear matrix inequalities (LMIs), which can be checked readily by using some standard numerical packages. An illustrative example is given to demonstrate the effectiveness of the proposed state estimator.

Research on the intermediate process of a free-piston linear generator from cold start-up to stable operation: Numerical model and experimental results

International Nuclear Information System (INIS)

Feng, Huihua; Guo, Chendong; Jia, Boru; Zuo, Zhengxing; Guo, Yuyao; Roskilly, Tony

2016-01-01

Highlights: • The intermediate process of free-piston linear generator is investigated for the first time. • “Gradually switching strategy” is the best strategy in the intermediate process. • Switching at the top dead center position timing has the least influences on free-piston linear generator. • After the intermediate process, the operation parameters value is smaller than those before the intermediate process. - Abstract: The free-piston linear generator (FPLG) has more merits than the traditional reciprocating engines (TRE), and has been under extensive investigation. Researchers mainly investigated on the starting process and the stable generating process of FPLG, while there has not been any report on the intermediate process from the engine cold start-up to stable operation process. Therefore, this paper investigated the intermediate process of the FPLG in terms of switching strategy and switching position based on simulation results and test results. Results showed that when the motor force of the linear electric machine (LEM) declined gradually from 100% to 0% with an interval of 50%, and then to a resistance force in the opposite direction of piston velocity (generator mode), the operation parameters of the FPLG showed minimal changes. Meanwhile, the engine operated more smoothly when the LEM switched its working mode from a motor to a generator at the piston dead center, compared with that at the middle stroke or a random switching time. More importantly, after the intermediate process, the operation parameters of FPLG were smaller than that before the intermediate process. As a result, a gradual motor/generator switching strategy was recommended and the LEM was suggested to switch its working mode when the piston arrived its dead center in order to achieve smooth engine operation.

Strategy switching in the stabilization of unstable dynamics.

Directory of Open Access Journals (Sweden)

Jacopo Zenzeri

Full Text Available In order to understand mechanisms of strategy switching in the stabilization of unstable dynamics, this work investigates how human subjects learn to become skilled users of an underactuated bimanual tool in an unstable environment. The tool, which consists of a mass and two hand-held non-linear springs, is affected by a saddle-like force-field. The non-linearity of the springs allows the users to determine size and orientation of the tool stiffness ellipse, by using different patterns of bimanual coordination: minimal stiffness occurs when the two spring terminals are aligned and stiffness size grows by stretching them apart. Tool parameters were set such that minimal stiffness is insufficient to provide stable equilibrium whereas asymptotic stability can be achieved with sufficient stretching, although at the expense of greater effort. As a consequence, tool users have two possible strategies for stabilizing the mass in different regions of the workspace: 1 high stiffness feedforward strategy, aiming at asymptotic stability and 2 low stiffness positional feedback strategy aiming at bounded stability. The tool was simulated by a bimanual haptic robot with direct torque control of the motors. In a previous study we analyzed the behavior of naïve users and we found that they spontaneously clustered into two groups of approximately equal size. In this study we trained subjects to become expert users of both strategies in a discrete reaching task. Then we tested generalization capabilities and mechanism of strategy-switching by means of stabilization tasks which consist of tracking moving targets in the workspace. The uniqueness of the experimental setup is that it addresses the general problem of strategy-switching in an unstable environment, suggesting that complex behaviors cannot be explained in terms of a global optimization criterion but rather require the ability to switch between different sub-optimal mechanisms.

Evolutionary conservation of the polyproline II conformation surrounding intrinsically disordered phosphorylation sites.

Science.gov (United States)

Elam, W Austin; Schrank, Travis P; Campagnolo, Andrew J; Hilser, Vincent J

2013-04-01

Intrinsically disordered (ID) proteins function in the absence of a unique stable structure and appear to challenge the classic structure-function paradigm. The extent to which ID proteins take advantage of subtle conformational biases to perform functions, and whether signals for such mechanism can be identified in proteome-wide studies is not well understood. Of particular interest is the polyproline II (PII) conformation, suggested to be highly populated in unfolded proteins. We experimentally determine a complete calorimetric propensity scale for the PII conformation. Projection of the scale into representative eukaryotic proteomes reveals significant PII bias in regions coding for ID proteins. Importantly, enrichment of PII in ID proteins, or protein segments, is also captured by other PII scales, indicating that this enrichment is robustly encoded and universally detectable regardless of the method of PII propensity determination. Gene ontology (GO) terms obtained using our PII scale and other scales demonstrate a consensus for molecular functions performed by high PII proteins across the proteome. Perhaps the most striking result of the GO analysis is conserved enrichment (P ontology reveals an enrichment of PII bias near disordered phosphorylation sites that is conserved throughout eukaryotes. Copyright © 2013 The Protein Society.

A simple analysis of the stable field profile in the supercritical TEA

DEFF Research Database (Denmark)

Jeppesen, Palle; Jeppsson, B.

1973-01-01

An analytical investigation supported by numerical calculations has been performed of the stable field profile in a supercritical diffusion-stabilized n-GaAs transferred electron amplifier (TEA) with ohmic contacts. In the numerical analysis, the field profile is determined by solving the steady......}{2}} (n_{0}L)^{frac{1}{2}}. Those results contribute to the understanding of the highn_{0}L-product switch and the stability of the supercritical TEA....

Conformal expansions and renormalons

Energy Technology Data Exchange (ETDEWEB)

Rathsman, J.

2000-02-07

The coefficients in perturbative expansions in gauge theories are factorially increasing, predominantly due to renormalons. This type of factorial increase is not expected in conformal theories. In QCD conformal relations between observables can be defined in the presence of a perturbative infrared fixed-point. Using the Banks-Zaks expansion the authors study the effect of the large-order behavior of the perturbative series on the conformal coefficients. The authors find that in general these coefficients become factorially increasing. However, when the factorial behavior genuinely originates in a renormalon integral, as implied by a postulated skeleton expansion, it does not affect the conformal coefficients. As a consequence, the conformal coefficients will indeed be free of renormalon divergence, in accordance with previous observations concerning the smallness of these coefficients for specific observables. The authors further show that the correspondence of the BLM method with the skeleton expansion implies a unique scale-setting procedure. The BLM coefficients can be interpreted as the conformal coefficients in the series relating the fixed-point value of the observable with that of the skeleton effective charge. Through the skeleton expansion the relevance of renormalon-free conformal coefficients extends to real-world QCD.

Task Uncertainty Can Account for Mixing and Switch Costs in Task-Switching

Science.gov (United States)

Rennie, Jaime L.

2015-01-01

Cognitive control is required in situations that involve uncertainty or change, such as when resolving conflict, selecting responses and switching tasks. Recently, it has been suggested that cognitive control can be conceptualised as a mechanism which prioritises goal-relevant information to deal with uncertainty. This hypothesis has been supported using a paradigm that requires conflict resolution. In this study, we examine whether cognitive control during task switching is also consistent with this notion. We used information theory to quantify the level of uncertainty in different trial types during a cued task-switching paradigm. We test the hypothesis that differences in uncertainty between task repeat and task switch trials can account for typical behavioural effects in task-switching. Increasing uncertainty was associated with less efficient performance (i.e., slower and less accurate), particularly on switch trials and trials that afford little opportunity for advance preparation. Interestingly, both mixing and switch costs were associated with a common episodic control process. These results support the notion that cognitive control may be conceptualised as an information processor that serves to resolve uncertainty in the environment. PMID:26107646

Controllability of multi-agent systems with periodically switching topologies and switching leaders

Science.gov (United States)

Tian, Lingling; Zhao, Bin; Wang, Long

2018-05-01

This paper considers controllability of multi-agent systems with periodically switching topologies and switching leaders. The concept of m-periodic controllability is proposed, and a criterion for m-periodic controllability is established. The effect of the duration of subsystems on controllability is analysed by utilising a property of analytic functions. In addition, the influence of switching periods on controllability is investigated, and an algorithm is proposed to search for the fewest periods to ensure controllability. A necessary condition for m-periodic controllability is obtained from the perspective of eigenvectors of the subsystems' Laplacian matrices. For a system with switching leaders, it is proved that switching-leader controllability is equivalent to multiple-leader controllability. Furthermore, both the switching order and the tenure of agents being leaders have no effect on the controllability. Some examples are provided to illustrate the theoretical results.

Q-switched pulse laser generation from double-cladding Nd:YAG ceramics waveguides.

Science.gov (United States)

Tan, Yang; Luan, Qingfang; Liu, Fengqin; Chen, Feng; Vázquez de Aldana, Javier Rodríguez

2013-08-12

This work reports on the Q-switched pulsed laser generation from double-cladding Nd:YAG ceramic waveguides. Double-cladding waveguides with different combination of diameters were inscribed into a sample of Nd:YAG ceramic. With an additional semiconductor saturable absorber, stable pulsed laser emission at the wavelength of 1064 nm was achieved with pulses of 21 ns temporal duration and ~14 μJ pulse energy at a repetition rate of 3.65 MHz.

Short-Pulse-Width Repetitively Q-Switched ~2.7-μm Er:Y2O3 Ceramic Laser

Directory of Open Access Journals (Sweden)

Xiaojing Ren

2017-11-01

Full Text Available A short-pulse-width repetitively Q-switched 2.7-μm Er:Y2O3 ceramic laser is demonstrated using a specially designed mechanical switch, a metal plate carved with slits of both slit-width and duty-cycle optimized. With a 20% transmission output coupler, stable pulse trains with durations (full-width at half-maximum, FWHM of 27–38 ns were generated with a repetition rate within the range of 0.26–4 kHz. The peak power at a 0.26 kHz repetition rate was ~3 kW.

Bulk chirality effect for symmetric bistable switching of liquid crystals on topologically self-patterned degenerate anchoring surface.

Science.gov (United States)

Park, Min-Kyu; Joo, Kyung-Il; Kim, Hak-Rin

2017-06-26

We demonstrate a bistable switching liquid crystal (LC) mode utilizing a topologically self-structured dual-groove surface for degenerated easy axes of LC anchoring. In our study, the effect of the bulk elastic distortion of the LC directors on the bistable anchoring surface is theoretically analyzed for balanced bistable states based on a free energy diagram. By adjusting bulk LC chirality, we developed ideally symmetric and stable bistable anchoring and switching properties, which can be driven by a low in-plane pulsed field of about 0.7 V/µm. The fabricated device has a contrast ratio of 196:1.

Conformational analysis by intersection: CONAN.

Science.gov (United States)

Smellie, Andrew; Stanton, Robert; Henne, Randy; Teig, Steve

2003-01-15

As high throughput techniques in chemical synthesis and screening improve, more demands are placed on computer assisted design and virtual screening. Many of these computational methods require one or more three-dimensional conformations for molecules, creating a demand for a conformational analysis tool that can rapidly and robustly cover the low-energy conformational spaces of small molecules. A new algorithm of intersection is presented here, which quickly generates (on average heuristics are applied after intersection to generate a small representative collection of conformations that span the conformational space. In a study of approximately 97,000 randomly selected molecules from the MDDR, results are presented that explore these conformations and their ability to cover low-energy conformational space. Copyright 2002 Wiley Periodicals, Inc. J Comput Chem 24: 10-20, 2003

CT-guided conformal cryoablation for peripheral NSCLC: Initial experience

International Nuclear Information System (INIS)

Zhang, Xiao; Tian, Jinlin; Zhao, Lei; Wu, Bin; Kacher, Daniel S.; Ma, Xuyang; Liu, Shurong; Ren, Chao; Xiao, Yue-Yong

2012-01-01

Purpose: To study the feasibility of CT-guided and monitored percutaneous conformal cryoablation of Non-Small Cell Lung Cancer for patients who are not suitable for surgical resection. Materials and method: CT-guided percutaneous conformal cryoablation was performed on 46 patients with peripheral Non-Small Cell Lung Cancer. Patients with tumor sizes less than 3 cm in diameter were treated with double-needle clamping cryoablation, while the patients with 3–5 cm tumor sizes were treated with multiple-needle conformal cryoablation. CT was used to monitor the extent of cryoablation during the procedures. At month 1, 3, 6, 12, and 24 post-procedure, enhanced CT scans and/or PET-CT scans were performed to evaluate the impact of the therapy. Results: The average tumor CT values were 32 ± 10 HU and −21 ± 8 HU before and after cryoablation, respectively. The largest diameters of the lesions at month 1, 3, 6, 12, and 24 post-procedure were 2.63 ± 0.56 cm, 1.93 ± 0.51 cm, 1.55 ± 0.39 cm, 1.43 ± 0.40 cm, and 1.38 ± 0.38 cm, respectively, in patients with tumor diameter less than 3 cm, and 3.63 ± 0.39 cm, 2.98 ± 0.31 cm, 2.62 ± 0.32 cm, 2.54 ± 0.34 cm, and 2.56 ± 0.37 cm respectively in patients with the tumor diameters between 3 and 5 cm. At the 24th month, there were 36 cases of complete response (83.7%), 7 cases of partial response (16.3%), and no cases of stable disease or progressive disease. 3 patients died due to multiple metastases. Conclusion: CT-guided percutaneous conformal cryoablation is a safe, effective, and minimally invasive therapeutic method for peripheral lung cancer.

Effect of NiO growth conditions on the bipolar resistance memory switching of Pt/NiO/SRO structure

International Nuclear Information System (INIS)

Kurnia, F.; Hadiyawarman, H.; Jung, C. U.; Liu, C. L.; Lee, S. B.; Yang, S. M.; Park, H. W.; Song, S. J.; Hwang, C. S.

2010-01-01

We deposited NiO thin films with SrRuO 3 bottom electrodes on SrTiO 3 (001) substrates by using pulsed laser deposition. The growth temperature and the oxygen pressure were varied in order to obtain NiO films with different structural and electrical properties. We investigated the I-V characteristics of the Pt/NiO/SRO structures and observed a strong dependence of bipolar resistance switching on the growth conditions of the NiO thin films. Stable bipolar memory resistance switching was observed only in the devices with NiO films deposited at 400 .deg. C and 10 mTorr of O 2 . The off-state I-V curve of bipolar switching showed a linear fitting to the Schottky effect, indicating its origin in the NiO/SRO interface. Our results suggest that the growth conditions of NiO may affect the bipolar switching behavior through the film's resistance, the film's crystallinity, or the status of the grain boundaries.

Optimal switching using coherent control

DEFF Research Database (Denmark)

Kristensen, Philip Trøst; Heuck, Mikkel; Mørk, Jesper

2013-01-01

that the switching time, in general, is not limited by the cavity lifetime. Therefore, the total energy required for switching is a more relevant figure of merit than the switching speed, and for a particular two-pulse switching scheme we use calculus of variations to optimize the switching in terms of input energy....

CT-guided percutaneous conformal cryoablation for lung carcinoma

Energy Technology Data Exchange (ETDEWEB)

Yueyong, Xiao; Bin, Wu; Xiao, Zhang; Hongjun, Li; Da, Yu; Jie, Li; Jun, Li [Department of Radiology, PLA General Hospital, Beijing (China)

2010-02-15

month follow-up. Seven patients were followed up 2 years later, 5 of them have no recurrence or metastasis, one had mediastinal lymphopathy and one had bone metastasis 1 year later. For the 22 cases with maximum diameters between 3.0 CM and 5.0 cm, CT scan during procedure showed the frozen areas covered the lesions, lobulation and spiculation disappeared and the tumor size slightly enlarged. The lesions volume reduced during 1 st and 3 rd month follow-up. Nine cases were followed up for 2 years, 4 had no recurrence, 3 were stable and 2 had remote metastasis. For 26 cases with the maximum diameters larger than 5.0 cm, CT scan during the procedure showed the frozen areas covered 70%-90% of the tumor, there was no frozen damage to the surrounding lung tissue. Twenty-six patients had postoperative radiotherapy and chemotherapy. Follow-up in the 6 th month showed that 9 lesions decreased, 11 were stable and 6 progressed with remote metastasis. Complications included hemoptysis (3), bloody sputum (26), pneumothorax (19). Five pneumothorax were treated by close drainage and recovered 5 days. Conclusion: CT-guided percutaneous conformal cryoablation is an effective and minimal invasive procedure for the lung carcinoma treatment. (authors)

CT-guided percutaneous conformal cryoablation for lung carcinoma

International Nuclear Information System (INIS)

Xiao Yueyong; Wu Bin; Zhang Xiao; Li Hongjun; Yu Da; Li Jie; Li Jun

2010-01-01

month follow-up. Seven patients were followed up 2 years later, 5 of them have no recurrence or metastasis, one had mediastinal lymphopathy and one had bone metastasis 1 year later. For the 22 cases with maximum diameters between 3.0 CM and 5.0 cm, CT scan during procedure showed the frozen areas covered the lesions, lobulation and spiculation disappeared and the tumor size slightly enlarged. The lesions volume reduced during 1 st and 3 rd month follow-up. Nine cases were followed up for 2 years, 4 had no recurrence, 3 were stable and 2 had remote metastasis. For 26 cases with the maximum diameters larger than 5.0 cm, CT scan during the procedure showed the frozen areas covered 70%-90% of the tumor, there was no frozen damage to the surrounding lung tissue. Twenty-six patients had postoperative radiotherapy and chemotherapy. Follow-up in the 6 th month showed that 9 lesions decreased, 11 were stable and 6 progressed with remote metastasis. Complications included hemoptysis (3), bloody sputum (26), pneumothorax (19). Five pneumothorax were treated by close drainage and recovered 5 days. Conclusion: CT-guided percutaneous conformal cryoablation is an effective and minimal invasive procedure for the lung carcinoma treatment. (authors)

Submicrosecond Q-Switching Er-Doped All-Fiber Ring Laser Based on Black Phosphorus

Directory of Open Access Journals (Sweden)

Yao Cai

2017-01-01

Full Text Available Black phosphorus (BP, a new two-dimensional (2D material, has been deeply developed for extensive applications in electronics and optoelectronics due to its similar physical structure to graphene and thickness dependent direct band gap. Here, we demonstrated a submicrosecond passive Q-switching Er-doped fiber laser with BP as saturable absorber (SA. The BP saturable absorber was fabricated by mechanical exfoliation method. By taking full advantage of the ultrafast relaxation time of BP-SA and careful design of compact ring cavity, we obtained stable Q-switching pulses output with a shortest duration as narrow as 742 ns. With increasing the pump power, the pulse repetition rate accreted gradually almost linearly from 9.78 to 61.25 kHz, and the pulse duration declined rapidly at lower pump power regime and retained approximate stationary at higher pump power regime from 3.05 to 0.742 μs. The experimental results indicate that BP-SA can be an effective SA for nanosecond Q-switching pulse generation.

All-fibre Q-switching YDFL operation with bismuth-doped fibre as saturable absorber

Science.gov (United States)

Muhammad, A. R.; Haris, H.; Arof, H.; Tan, S. J.; Ahmad, M. T.; Harun, S. W.

2018-05-01

We demonstrate the generation of a passively Q-switched ytterbium-doped fibre laser (YDFL) using a bismuth-doped fibre (BDF) as a solid-state fibre saturable absorber (FSA) in a ring cavity. The BDF used has a wide and low absorption band of 5 dB/m at the 1.0 μm region due to the ion transition of ? that occurs around the region. When introduced into a YDFL laser cavity, a stable Q-switched pulse operation was observed and the pulse repetition rate was proportional to the input pump power. It was limited to 72.99 kHz by the maximum power that the laser diode could supply. Meanwhile, the pulse width decreased from 12.22 to 4.85 μs as the pump power was increased from 215.6 to 475.6 mW. The finding suggests that BDF could be used as a potential SA for the development of robust, compact, efficient and low cost Q-switched fibre lasers operating at 1 micron region.

Switch-connected HyperX network

Science.gov (United States)

Chen, Dong; Heidelberger, Philip

2018-02-13

A network system includes a plurality of sub-network planes and global switches. The sub-network planes have a same network topology as each other. Each of the sub-network planes includes edge switches. Each of the edge switches has N ports. Each of the global switches is configured to connect a group of edge switches at a same location in the sub-network planes. In each of the sub-network planes, some of the N ports of each of the edge switches are connected to end nodes, and others of the N ports are connected to other edge switches in the same sub-network plane, other of the N ports are connected to at least one of the global switches.

The conformal method and the conformal thin-sandwich method are the same

International Nuclear Information System (INIS)

Maxwell, David

2014-01-01

The conformal method developed in the 1970s and the more recent Lagrangian and Hamiltonian conformal thin-sandwich methods are techniques for finding solutions of the Einstein constraint equations. We show that they are manifestations of a single conformal method: there is a straightforward way to convert back and forth between the parameters for these methods so that the corresponding solutions of the Einstein constraint equations agree. The unifying idea is the need to clearly distinguish tangent and cotangent vectors to the space of conformal classes on a manifold, and we introduce a vocabulary for working with these objects without reference to a particular representative background metric. As a consequence of these conceptual advantages, we demonstrate how to strengthen previous near-CMC (constant mean curvature) existence and non-existence theorems for the original conformal method to include metrics with scalar curvatures that change sign. (paper)

FreeSWITCH Cookbook

CERN Document Server

Minessale, Anthony

2012-01-01

This is a problem-solution approach to take your FreeSWITCH skills to the next level, where everything is explained in a practical way. If you are a system administrator, hobbyist, or someone who uses FreeSWITCH on a regular basis, this book is for you. Whether you are a FreeSWITCH expert or just getting started, this book will take your skills to the next level.

Task-set switching under cue-based versus memory-based switching conditions in younger and older adults.

Science.gov (United States)

Kray, Jutta

2006-08-11

Adult age differences in task switching and advance preparation were examined by comparing cue-based and memory-based switching conditions. Task switching was assessed by determining two types of costs that occur at the general (mixing costs) and specific (switching costs) level of switching. Advance preparation was investigated by varying the time interval until the next task (short, middle, very long). Results indicated that the implementation of task sets was different for cue-based switching with random task sequences and memory-based switching with predictable task sequences. Switching costs were strongly reduced under cue-based switching conditions, indicating that task-set cues facilitate the retrieval of the next task. Age differences were found for mixing costs and for switching costs only under cue-based conditions in which older adults showed smaller switching costs than younger adults. It is suggested that older adults adopt a less extreme bias between two tasks than younger adults in situations associated with uncertainty. For cue-based switching with random task sequences, older adults are less engaged in a complete reconfiguration of task sets because of the probability of a further task change. Furthermore, the reduction of switching costs was more pronounced for cue- than memory-based switching for short preparation intervals, whereas the reduction of switch costs was more pronounced for memory- than cue-based switching for longer preparation intervals at least for older adults. Together these findings suggest that the implementation of task sets is functionally different for the two types of task-switching conditions.

Task uncertainty can account for mixing and switch costs in task-switching.

Directory of Open Access Journals (Sweden)

Patrick S Cooper

Full Text Available Cognitive control is required in situations that involve uncertainty or change, such as when resolving conflict, selecting responses and switching tasks. Recently, it has been suggested that cognitive control can be conceptualised as a mechanism which prioritises goal-relevant information to deal with uncertainty. This hypothesis has been supported using a paradigm that requires conflict resolution. In this study, we examine whether cognitive control during task switching is also consistent with this notion. We used information theory to quantify the level of uncertainty in different trial types during a cued task-switching paradigm. We test the hypothesis that differences in uncertainty between task repeat and task switch trials can account for typical behavioural effects in task-switching. Increasing uncertainty was associated with less efficient performance (i.e., slower and less accurate, particularly on switch trials and trials that afford little opportunity for advance preparation. Interestingly, both mixing and switch costs were associated with a common episodic control process. These results support the notion that cognitive control may be conceptualised as an information processor that serves to resolve uncertainty in the environment.

Regulated bioanalysis of conformers - A case study with ASP2151 in dog plasma and urine.

Science.gov (United States)

Ohtsu, Yoshiaki; Otsuka, Shohei; Nakamura, Takeshi; Noguchi, Kiyoshi

2015-08-01

We developed and validated bioanalytical methods for a potent helicase-primase inhibitor ASP2151 that has two conformers. These conformers elute as unseparated broad peaks under ordinary high-performance liquid chromatographic conditions, indicating discernable differences in hydrophobicity. We observed that column temperature and mobile phase pH have no effect on these peaks and that conformers form a single symmetrical peak when tetrahydrofuran is added to the mobile phase. In addition, we needed to develop semi-automated methods where inter-conversion of the conformers is unlikely to cause sample-to-sample extraction variability. Briefly, following the addition of deuterium-labeled ASP2151 as an internal standard (IS), dog plasma samples or acetonitrile-added urine samples were filtrated. The filtrates were then injected into a column-switching liquid chromatography-tandem mass spectrometry (LC-MS/MS) system and trapped onto an extraction column. Extracts were back-flushed onto an analytical C18 column (4.6×50mm, 3μm) with a mobile phase consisting of methanol, tetrahydrofuran, and 20mmol/L ammonium acetate (45:5:50, v/v/v). The eluent was monitored in the negative atmospheric pressure chemical ionization mode. The calibration curve was linear over a range of 5-1000ng/mL for plasma and 0.5-100μg/mL for urine. Validation data met the acceptance criteria in accordance with regulatory guidance and demonstrated that these methods were selective, accurate, and reproducible. In addition, the present methods were successfully applied to a pharmacokinetic study in dogs. Copyright © 2015 Elsevier B.V. All rights reserved.

All passive synchronized Q-switching of a quasi-three-level and a four-level Nd:YAG laser

DEFF Research Database (Denmark)

Cheng, Haynes Pak Hay; Tidemand-Lichtenberg, Peter; Jensen, Ole Bjarlin

2010-01-01

Using an all passive approach, synchronized Q-switching of two Nd:YAG lasers, at 946 nm and 1064 nm, is reported. Two laser crystals are used to avoid gain competition, and stable operation is reported for the first time. The pulse trains are synchronized over a wide range of pump powers...

LCT protective dump-switch tests

International Nuclear Information System (INIS)

Parsons, W.M.

1981-01-01

Each of the six coils in the Large Coil Task (LCT) has a separate power supply, dump resistor, and switching circuit. Each switching circuit contains five switches, two of which are redundant. The three remaining switches perform separate duties in an emergency dump situation. These three switches were tested to determine their ability to meet the LCT conditions

Switch I-dependent allosteric signaling in a G-protein chaperone-B12 enzyme complex.

Science.gov (United States)

Campanello, Gregory C; Lofgren, Michael; Yokom, Adam L; Southworth, Daniel R; Banerjee, Ruma

2017-10-27

G-proteins regulate various processes ranging from DNA replication and protein synthesis to cytoskeletal dynamics and cofactor assimilation and serve as models for uncovering strategies deployed for allosteric signal transduction. MeaB is a multifunctional G-protein chaperone, which gates loading of the active 5'-deoxyadenosylcobalamin cofactor onto methylmalonyl-CoA mutase (MCM) and precludes loading of inactive cofactor forms. MeaB also safeguards MCM, which uses radical chemistry, against inactivation and rescues MCM inactivated during catalytic turnover by using the GTP-binding energy to offload inactive cofactor. The conserved switch I and II signaling motifs used by G-proteins are predicted to mediate allosteric regulation in response to nucleotide binding and hydrolysis in MeaB. Herein, we targeted conserved residues in the MeaB switch I motif to interrogate the function of this loop. Unexpectedly, the switch I mutations had only modest effects on GTP binding and on GTPase activity and did not perturb stability of the MCM-MeaB complex. However, these mutations disrupted multiple MeaB chaperone functions, including cofactor editing, loading, and offloading. Hence, although residues in the switch I motif are not essential for catalysis, they are important for allosteric regulation. Furthermore, single-particle EM analysis revealed, for the first time, the overall architecture of the MCM-MeaB complex, which exhibits a 2:1 stoichiometry. These EM studies also demonstrate that the complex exhibits considerable conformational flexibility. In conclusion, the switch I element does not significantly stabilize the MCM-MeaB complex or influence the affinity of MeaB for GTP but is required for transducing signals between MeaB and MCM. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Conformal barrier and hidden local symmetry constraints: Walking technirhos in LHC diboson channels

Directory of Open Access Journals (Sweden)

Hidenori S. Fukano

2016-03-01

Full Text Available We expand the previous analyses of the conformal barrier on the walking technirho for the 2 TeV diboson excesses reported by the ATLAS Collaboration, with a special emphasis on the hidden local symmetry (HLS constraints. We first show that the Standard Model (SM Higgs Lagrangian is equivalent to the scale-invariant nonlinear chiral Lagrangian, which is further gauge equivalent to the scale-invariant HLS model, with the scale symmetry realized nonlinearly via SM Higgs as a (pseudo-dilaton. The scale symmetry forbids the new vector boson decay to the 125 GeV Higgs plus W/Z boson, in sharp contrast to the conventional “equivalence theorem” which is invalidated by the conformality. The HLS forbids mixing between the iso-triplet technirho's, ρΠ and ρP, of the one-family walking technicolor (with four doublets ND=NF/2=4, which, without the HLS, would be generated when switching on the standard model gauging. We also present updated analyses of the walking technirho's for the diboson excesses by fully incorporating the constraints from the conformal barrier and the HLS as well as possible higher order effects: still characteristic of the one-family walking technirho is its smallness of the decay width, roughly of order Γ/Mρ∼[3/NC×1/ND]×[Γ/Mρ]QCD≃70 GeV/2 TeV (ND=NC=4, in perfect agreement with the expected diboson resonance with Γ<100 GeV. The model is so sharply distinguishable from other massive spin 1 models without the conformality and HLS that it is clearly testable at the LHC Run II. If the 2 TeV boson decay to WH/ZH is not observed in the ongoing Run II, then the conformality is operative on the 125 GeV Higgs, strongly suggesting that the 2 TeV excess events are responsible for the walking technirhos and the 125 GeV Higgs is the technidilaton.

Energy-Efficient Distributed Filtering in Sensor Networks: A Unified Switched System Approach.

Science.gov (United States)

Zhang, Dan; Shi, Peng; Zhang, Wen-An; Yu, Li

2016-04-21

This paper is concerned with the energy-efficient distributed filtering in sensor networks, and a unified switched system approach is proposed to achieve this goal. For the system under study, the measurement is first sampled under nonuniform sampling periods, then the local measurement elements are selected and quantized for transmission. Then, the transmission rate is further reduced to save constrained power in sensors. Based on the switched system approach, a unified model is presented to capture the nonuniform sampling, the measurement size reduction, the transmission rate reduction, the signal quantization, and the measurement missing phenomena. Sufficient conditions are obtained such that the filtering error system is exponentially stable in the mean-square sense with a prescribed H∞ performance level. Both simulation and experiment studies are given to show the effectiveness of the proposed new design technique.

A Damage-Independent Role for 53BP1 that Impacts Break Order and Igh Architecture during Class Switch Recombination.

Science.gov (United States)

Rocha, Pedro P; Raviram, Ramya; Fu, Yi; Kim, JungHyun; Luo, Vincent M; Aljoufi, Arafat; Swanzey, Emily; Pasquarella, Alessandra; Balestrini, Alessia; Miraldi, Emily R; Bonneau, Richard; Petrini, John; Schotta, Gunnar; Skok, Jane A

2016-06-28

During class switch recombination (CSR), B cells replace the Igh Cμ or δ exons with another downstream constant region exon (CH), altering the antibody isotype. CSR occurs through the introduction of AID-mediated double-strand breaks (DSBs) in switch regions and subsequent ligation of broken ends. Here, we developed an assay to investigate the dynamics of DSB formation in individual cells. We demonstrate that the upstream switch region Sμ is first targeted during recombination and that the mechanism underlying this control relies on 53BP1. Surprisingly, regulation of break order occurs through residual binding of 53BP1 to chromatin before the introduction of damage and independent of its established role in DNA repair. Using chromosome conformation capture, we show that 53BP1 mediates changes in chromatin architecture that affect break order. Finally, our results explain how changes in Igh architecture in the absence of 53BP1 could promote inversional rearrangements that compromise CSR. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

Exploratory conformational study of (+)-catechin. Modeling of the polarizability and electric dipole moment.

Science.gov (United States)

Bentz, Erika N; Pomilio, Alicia B; Lobayan, Rosana M

2014-12-01

The extension of the study of the conformational space of the structure of (+)-catechin at the B3LYP/6-31G(d,p) level of theory is presented in this paper. (+)-Catechin belongs to the family of the flavan-3-ols, which is one of the five largest phenolic groups widely distributed in nature, and whose biological activity and pharmaceutical utility are related to the antioxidant activity due to their ability to scavenge free radicals. The effects of free rotation around all C-O bonds of the OH substituents at different rings are taken into account, obtaining as the most stable conformer, one that had not been previously reported. One hundred seven structures, and a study of the effects of charge delocalization and stereoelectronic effects at the B3LYP/6-311++G(d,p) level are reported by natural bond orbital analysis, streamlining the order of these structures. For further analysis of the structural and molecular properties of this compound in a biological environment, the calculation of polarizabilities, and the study of the electric dipole moment are performed considering the whole conformational space described. The results are analyzed in terms of accumulated knowledge for (4α → 6″, 2α → O → 1″)-phenylflavans and (+)-catechin in previous works, enriching the study of both types of structures, and taking into account the importance of considering the whole conformational space in modeling both the polarizability and the electric dipole moment, also proposing to define a descriptive subspace of only 16 conformers.

Switching and energy-storage characteristics in PLZT 2/95/5 antiferroelectric ceramic system

Directory of Open Access Journals (Sweden)

A. Peláiz-Barranco

2016-12-01

Full Text Available Switching mechanisms and energy-storage properties have been investigated in (Pb0.98La0.02(Zr0.95Ti0.050.995O3 antiferroelectric ceramics. The electric field dependence of polarization (P–E hysteresis loops indicates that both the ferroelectric (FE and antiferroelectric (AFE phases coexist, being the AFE more stable above 100∘C. It has been observed that the temperature has an important influence on the switching parameters. On the other hand, the energy-storage density, which has been calculated from the P–E hysteresis loops, shows values higher than 1J/cm3 for temperatures above 100∘C with around 73% of efficiency as average. These properties indicate that the studied ceramic system reveals as a promising AFE material for energy-storage devices application.

Smoldering and Flame Resistant Textiles via Conformal Barrier Formation.

Science.gov (United States)

Zammarano, Mauro; Cazzetta, Valeria; Nazaré, Shonali; Shields, J Randy; Kim, Yeon Seok; Hoffman, Kathleen M; Maffezzoli, Alfonso; Davis, Rick

2016-12-07

A durable and flexible silicone-based backcoating (halogen free) is applied to the backside of an otherwise smoldering-prone and flammable fabric. When exposed to fire, cyclic siloxanes (produced by thermal decomposition of the backcoating) diffuse through the fabric in the gas phase. The following oxidation of the cyclic siloxanes forms a highly conformal and thermally stable coating that fully embeds all individual fibers and shields them from heat and oxidation. As a result, the combustion of the fabric is prevented. This is a novel fire retardant mechanism that discloses a powerful approach towards textiles and multifunctional flexible materials with combined smoldering/flaming ignition resistance and fire-barrier properties.

Superspace conformal field theory

Energy Technology Data Exchange (ETDEWEB)

Quella, Thomas [Koeln Univ. (Germany). Inst. fuer Theoretische Physik; Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2013-07-15

Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.

Superspace conformal field theory

International Nuclear Information System (INIS)

Quella, Thomas

2013-07-01

Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.

Switch on, switch off: stiction in nanoelectromechanical switches

KAUST Repository

Wagner, Till J W

2013-06-13

We present a theoretical investigation of stiction in nanoscale electromechanical contact switches. We develop a mathematical model to describe the deflection of a cantilever beam in response to both electrostatic and van der Waals forces. Particular focus is given to the question of whether adhesive van der Waals forces cause the cantilever to remain in the \\'ON\\' state even when the electrostatic forces are removed. In contrast to previous studies, our theory accounts for deflections with large slopes (i.e. geometrically nonlinear). We solve the resulting equations numerically to study how a cantilever beam adheres to a rigid electrode: transitions between \\'free\\', \\'pinned\\' and \\'clamped\\' states are shown to be discontinuous and to exhibit significant hysteresis. Our findings are compared to previous results from linearized models and the implications for nanoelectromechanical cantilever switch design are discussed. © 2013 IOP Publishing Ltd.

Control synthesis of switched systems

CERN Document Server

Zhao, Xudong; Niu, Ben; Wu, Tingting

2017-01-01

This book offers its readers a detailed overview of the synthesis of switched systems, with a focus on switching stabilization and intelligent control. The problems investigated are not only previously unsolved theoretically but also of practical importance in many applications: voltage conversion, naval piloting and navigation and robotics, for example. The book considers general switched-system models and provides more efficient design methods to bring together theory and application more closely than was possible using classical methods. It also discusses several different classes of switched systems. For general switched linear systems and switched nonlinear systems comprising unstable subsystems, it introduces novel ideas such as invariant subspace theory and the time-scheduled Lyapunov function method of designing switching signals to stabilize the underlying systems. For some typical switched nonlinear systems affected by various complex dynamics, the book proposes novel design approaches based on inte...

Conformal Infinity

OpenAIRE

Frauendiener, J?rg

2000-01-01

The notion of conformal infinity has a long history within the research in Einstein's theory of gravity. Today, 'conformal infinity' is related to almost all other branches of research in general relativity, from quantisation procedures to abstract mathematical issues to numerical applications. This review article attempts to show how this concept gradually and inevitably evolved from physical issues, namely the need to understand gravitational radiation and isolated systems within the theory...

Investigation on amorphous InGaZnO based resistive switching memory with low-power, high-speed, high reliability

Energy Technology Data Exchange (ETDEWEB)

Fan, Yang-Shun [Department of Photonics and Institute of Electro-Optical Engineering, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Liu, Po-Tsun, E-mail: ptliu@mail.nctu.edu.tw [Department of Photonics and Display Institute, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China); Hsu, Ching-Hui [Department of Photonics and Display Institute, National Chiao Tung University, Hsinchu 30010, Taiwan, ROC (China)

2013-12-31

Recently, non-volatile memory (NVM) has been widely used in electronic devices. Nowadays, the prevailing NVM is Flash memory. However, it is generally believed that the conventional Flash memory will approach its scaling limit within about a decade. The resistive random access memory (RRAM) is emerging as one of the potential candidates for future memory replacement because of its high storage density, low power consumption as well as simple structure. The purpose of this work is to develop a reliable a-InGaZnO based resistive switching memory. We investigate the resistive switching characteristics of TiN/Ti/IGZO/Pt structure and TiN/IGZO/Pt structure. The device with TiN/Ti/IGZO/Pt structure exhibits stable bipolar resistive switching. The impact of inserting a Ti interlayer is studied by material analyses. The device shows excellent resistive switching properties. For example, the DC sweep endurance can achieve over 1000 times; and the pulse induced switching cycles can reach at least 10,000 times. Furthermore, the impact of different sputtering ambience, the variable temperature measurement, and the conduction mechanisms are also investigated. According to our experiments, we propose a model to explain the resistive switching phenomenon observed in our devices.

Conformational analysis of glutamic acid: a density functional approach using implicit continuum solvent model.

Science.gov (United States)

Turan, Başak; Selçuki, Cenk

2014-09-01

Amino acids are constituents of proteins and enzymes which take part almost in all metabolic reactions. Glutamic acid, with an ability to form a negatively charged side chain, plays a major role in intra and intermolecular interactions of proteins, peptides, and enzymes. An exhaustive conformational analysis has been performed for all eight possible forms at B3LYP/cc-pVTZ level. All possible neutral, zwitterionic, protonated, and deprotonated forms of glutamic acid structures have been investigated in solution by using polarizable continuum model mimicking water as the solvent. Nine families based on the dihedral angles have been classified for eight glutamic acid forms. The electrostatic effects included in the solvent model usually stabilize the charged forms more. However, the stability of the zwitterionic form has been underestimated due to the lack of hydrogen bonding between the solute and solvent; therefore, it is observed that compact neutral glutamic acid structures are more stable in solution than they are in vacuum. Our calculations have shown that among all eight possible forms, some are not stable in solution and are immediately converted to other more stable forms. Comparison of isoelectronic glutamic acid forms indicated that one of the structures among possible zwitterionic and anionic forms may dominate over the other possible forms. Additional investigations using explicit solvent models are necessary to determine the stability of charged forms of glutamic acid in solution as our results clearly indicate that hydrogen bonding and its type have a major role in the structure and energy of conformers.

Functionalized molecules studied by STM: motion, switching and reactivity

International Nuclear Information System (INIS)

Grill, Leonhard

2008-01-01

Functionalized molecules represent the central issue of molecular nanotechnology. Scanning tunnelling microscopy (STM) is a powerful method to investigate such molecules, because it allows us to image them with sub-molecular resolution when adsorbed on a surface and can be used at the same time as a tool to manipulate single molecules in a controlled way. Such studies permit deep insight into the conformational, mechanical and electronic structure and thus functionalities of the molecules. In this review, recent experiments on specially designed molecules, acting as model systems for molecular nanotechnology, are reviewed. The presented studies focus on key functionalities: lateral rolling and hopping motion on a supporting surface, the switching behaviour of azobenzene derivatives by using the STM tip and the controlled reactivity of molecular side groups, which enable the formation of covalently bound molecular nanoarchitectures. (topical review)

Active Fault Tolerant Control of Livestock Stable Ventilation System

DEFF Research Database (Denmark)

Gholami, Mehdi

2011-01-01

Modern stables and greenhouses are equipped with different components for providing a comfortable climate for animals and plant. A component malfunction may result in loss of production. Therefore, it is desirable to design a control system, which is stable, and is able to provide an acceptable d...... are not included, while due to the physical limitation, the input signal can not have any value. In continuing, a passive fault tolerant controller (PFTC) based on state feedback is proposed to track a reference signal while the control inputs are bounded....... of fault. Designing a fault tolerant control scheme for the climate control system. In the first step, a conceptual multi-zone model for climate control of a live-stock building is derived. The model is a nonlinear hybrid model. Hybrid systems contain both discrete and continuous components. The parameters...... affine (PWA) components such as dead-zones, saturation, etc or contain piecewise nonlinear models which is the case for the climate control systems of the stables. Fault tolerant controller (FTC) is based on a switching scheme between a set of predefined passive fault tolerant controller (PFTC...

Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90

Science.gov (United States)

Kitson, Russell R. A.; Chang, Chuan-Hsin; Xiong, Rui; Williams, Huw E. L.; Davis, Adrienne L.; Lewis, William; Dehn, Donna L.; Siegel, David; Roe, S. Mark; Prodromou, Chrisostomos; Ross, David; Moody, Christopher J.

2013-01-01

The benzoquinone ansamycin geldanamycin and its derivatives are inhibitors of heat shock protein Hsp90, an emerging target for novel therapeutic agents both in cancer and in neurodegeneration. However, toxicity of these compounds to normal cells has been ascribed to reaction with thiol nucleophiles at the quinone 19-position. We reasoned that blocking this position would ameliorate toxicity, and that it might also enforce a favourable conformational switch of the trans-amide group into the cis-form required for protein binding. We report here an efficient synthesis of such 19-substituted compounds and realization of our hypotheses. Protein crystallography established that the new compounds bind to Hsp90 with, as expected, a cis-amide conformation. Studies on Hsp90 inhibition in cells demonstrated the molecular signature of Hsp90 inhibitors: decreases in client proteins with compensatory increases in other heat shock proteins in both human breast cancer and dopaminergic neural cells, demonstrating their potential for use in the therapy of cancer or neurodegenerative diseases. PMID:23511419

Low-Crosstalk Composite Optical Crosspoint Switches

Science.gov (United States)

Pan, Jing-Jong; Liang, Frank

1993-01-01

Composite optical switch includes two elementary optical switches in tandem, plus optical absorbers. Like elementary optical switches, composite optical switches assembled into switch matrix. Performance enhanced by increasing number of elementary switches. Advantage of concept: crosstalk reduced to acceptably low level at moderate cost of doubling number of elementary switches rather than at greater cost of tightening manufacturing tolerances and exerting more-precise control over operating conditions.

Conformal superalgebras via tractor calculus

Science.gov (United States)

Lischewski, Andree

2015-01-01

We use the manifestly conformally invariant description of a Lorentzian conformal structure in terms of a parabolic Cartan geometry in order to introduce a superalgebra structure on the space of twistor spinors and normal conformal vector fields formulated in purely algebraic terms on parallel sections in tractor bundles. Via a fixed metric in the conformal class, one reproduces a conformal superalgebra structure that has been considered in the literature before. The tractor approach, however, makes clear that the failure of this object to be a Lie superalgebra in certain cases is due to purely algebraic identities on the spinor module and to special properties of the conformal holonomy representation. Moreover, it naturally generalizes to higher signatures. This yields new formulas for constructing new twistor spinors and higher order normal conformal Killing forms out of existing ones, generalizing the well-known spinorial Lie derivative. Moreover, we derive restrictions on the possible dimension of the space of twistor spinors in any metric signature.

Organization of the channel-switching process in parallel computer systems based on a matrix optical switch

Science.gov (United States)

Golomidov, Y. V.; Li, S. K.; Popov, S. A.; Smolov, V. B.

1986-01-01

After a classification and analysis of electronic and optoelectronic switching devices, the design principles and structure of a matrix optical switch is described. The switching and pair-exclusion operations in this type of switch are examined, and a method for the optical switching of communication channels is elaborated. Finally, attention is given to the structural organization of a parallel computer system with a matrix optical switch.

Conformal sequestering simplified

International Nuclear Information System (INIS)

Schmaltz, Martin; Sundrum, Raman

2006-01-01

Sequestering is important for obtaining flavor-universal soft masses in models where supersymmetry breaking is mediated at high scales. We construct a simple and robust class of hidden sector models which sequester themselves from the visible sector due to strong and conformally invariant hidden dynamics. Masses for hidden matter eventually break the conformal symmetry and lead to supersymmetry breaking by the mechanism recently discovered by Intriligator, Seiberg and Shih. We give a unified treatment of subtleties due to global symmetries of the CFT. There is enough review for the paper to constitute a self-contained account of conformal sequestering

Conformity index: A review

International Nuclear Information System (INIS)

Feuvret, Loic; Noel, Georges; Mazeron, Jean-Jacques; Bey, Pierre

2006-01-01

We present a critical analysis of the conformity indices described in the literature and an evaluation of their field of application. Three-dimensional conformal radiotherapy, with or without intensity modulation, is based on medical imaging techniques, three-dimensional dosimetry software, compression accessories, and verification procedures. It consists of delineating target volumes and critical healthy tissues to select the best combination of beams. This approach allows better adaptation of the isodose to the tumor volume, while limiting irradiation of healthy tissues. Tools must be developed to evaluate the quality of proposed treatment plans. Dosimetry software provides the dose distribution in each CT section and dose-volume histograms without really indicating the degree of conformity. The conformity index is a complementary tool that attributes a score to a treatment plan or that can compare several treatment plans for the same patient. The future of conformal index in everyday practice therefore remains unclear

Very high plasma switches. Basic plasma physics and switch technology

International Nuclear Information System (INIS)

Doucet, H.J.; Roche, M.; Buzzi, J.M.

1988-01-01

A review of some high power switches recently developed for very high power technology is made with a special attention to the aspects of plasma physics involved in the mechanisms, which determine the limits of the possible switching parameters

Bipolar and unipolar resistive switching behaviors of sol–gel-derived SrTiO3 thin films with different compliance currents

International Nuclear Information System (INIS)

Tang, M H; Wang, Z P; Zeng, Z Q; Xu, X L; Wang, G Y; Zhang, L B; Xiao, Y G; Yang, S B; Jiang, B; Li, J C; He, J

2011-01-01

The SrTiO 3 (STO) thin films on a Pt/Ti/SiO 2 /Si substrate were synthesized using a sol–gel method to form a metal–insulator–metal structure. This device shows the bipolar resistance switching (BRS) behavior for a compliance current I cc of less than 0.1 mA but exhibits soft breakdown at a higher level of compliance current. A transition from the BRS behavior to the stable unipolar resistive switching behavior (URS) was also observed. We found that the BRS behavior may be controlled by the structure interface while the URS behavior is likely bulk controlled. Our study indicates that the external compliance current is a key factor in resistance switching phenomenon of STO thin films

Switch-loop flexibility affects transport of large drugs by the promiscuous AcrB multidrug efflux transporter.

Science.gov (United States)

Cha, Hi-jea; Müller, Reinke T; Pos, Klaas M

2014-08-01

Multidrug efflux transporters recognize a variety of structurally unrelated compounds for which the molecular basis is poorly understood. For the resistance nodulation and cell division (RND) inner membrane component AcrB of the AcrAB-TolC multidrug efflux system from Escherichia coli, drug binding occurs at the access and deep binding pockets. These two binding areas are separated by an 11-amino-acid-residue-containing switch loop whose conformational flexibility is speculated to be essential for drug binding and transport. A G616N substitution in the switch loop has a distinct and local effect on the orientation of the loop and on the ability to transport larger drugs. Here, we report a distinct phenotypical pattern of drug recognition and transport for the G616N variant, indicating that drug substrates with minimal projection areas of >70 Å(2) are less well transported than other substrates. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

Fermion-scalar conformal blocks

Energy Technology Data Exchange (ETDEWEB)

Iliesiu, Luca [Joseph Henry Laboratories, Princeton University,Washington Road, Princeton, NJ 08544 (United States); Kos, Filip [Department of Physics, Yale University,217 Prospect Street, New Haven, CT 06520 (United States); Poland, David [Department of Physics, Yale University,217 Prospect Street, New Haven, CT 06520 (United States); School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr, Princeton, New Jersey 08540 (United States); Pufu, Silviu S. [Joseph Henry Laboratories, Princeton University,Washington Road, Princeton, NJ 08544 (United States); Simmons-Duffin, David [School of Natural Sciences, Institute for Advanced Study,1 Einstein Dr, Princeton, New Jersey 08540 (United States); Yacoby, Ran [Joseph Henry Laboratories, Princeton University,Washington Road, Princeton, NJ 08544 (United States)

2016-04-13

We compute the conformal blocks associated with scalar-scalar-fermion-fermion 4-point functions in 3D CFTs. Together with the known scalar conformal blocks, our result completes the task of determining the so-called ‘seed blocks’ in three dimensions. Conformal blocks associated with 4-point functions of operators with arbitrary spins can now be determined from these seed blocks by using known differential operators.

Optical packet switched networks

DEFF Research Database (Denmark)

Hansen, Peter Bukhave

1999-01-01

Optical packet switched networks are investigated with emphasis on the performance of the packet switch blocks. Initially, the network context of the optical packet switched network is described showing that a packet network will provide transparency, flexibility and bridge the granularity gap...... in interferometric wavelength converters is investigated showing that a 10 Gbit/s 19 4x4 swich blocks can be cascaded at a BER of 10-14. An analytical traffic model enables the calculation of the traffice performance of a WDM packet network. Hereby the importance of WDM and wavelegth conversion in the switch blocks...... is established as a flexible means to reduce the optical buffer, e.g., the number of fibre delay lines for a 16x16 switch block is reduced from 23 to 6 by going from 2 to 8 wavelength channels pr. inlet. Additionally, a component count analysis is carried out to illustrate the trade-offs in the switch block...

Fabrication challenges associated with conformal optics

Science.gov (United States)

Schaefer, John; Eichholtz, Richard A.; Sulzbach, Frank C.

2001-09-01

A conformal optic is typically an optical window that conforms smoothly to the external shape of a system platform to improve aerodynamics. Conformal optics can be on-axis, such as an ogive missile dome, or off-axis, such as in a free form airplane wing. A common example of conformal optics is the automotive head light window that conforms to the body of the car aerodynamics and aesthetics. The unusual shape of conformal optics creates tremendous challenges for design, manufacturing, and testing. This paper will discuss fabrication methods that have been successfully demonstrated to produce conformal missile domes and associated wavefront corrector elements. It will identify challenges foreseen with more complex free-form configurations. Work presented in this paper was directed by the Precision Conformal Optics Consortium (PCOT). PCOT is comprised of both industrial and academic members who teamed to develop and demonstrate conformal optical systems suitable for insertion into future military programs. The consortium was funded under DARPA agreement number MDA972-96-9-08000.

New insight in the structural features of haloadaptation in α-amylases from halophilic Archaea following homology modeling strategy: folded and stable conformation maintained through low hydrophobicity and highly negative charged surface

Science.gov (United States)

Zorgani, Mohamed Amine; Patron, Kevin; Desvaux, Mickaël

2014-07-01

Proteins from halophilic archaea, which live in extreme saline conditions, have evolved to remain folded, active and stable at very high ionic strengths. Understanding the mechanism of haloadaptation is the first step toward engineering of halostable biomolecules. Amylases are one of the main enzymes used in industry. Yet, no three-dimensional structure has been experimentally resolved for α-amylases from halophilic archaea. In this study, homology structure modeling of α-amylases from the halophilic archaea Haloarcula marismortui, Haloarcula hispanica, and Halalkalicoccus jeotgali were performed. The resulting models were subjected to energy minimization, evaluation, and structural analysis. Calculations of the amino acid composition, salt bridges and hydrophobic interactions were also performed and compared to a set of non-halophilic counterparts. It clearly appeared that haloarchaeal α-amylases exhibited lower propensities for helix formation and higher propensities for coil-forming regions. Furthermore, they could maintain a folded and stable conformation in high salt concentration through highly negative charged surface with over representation of acidic residues, especially Asp, and low hydrophobicity with increase of salt bridges and decrease in hydrophobic interactions on the protein surface. This study sheds some light on the stability of α-amylases from halophilic archaea and provides strong basis not only to understand haloadaptation mechanisms of proteins in microorganisms from hypersalines environments but also for biotechnological applications.

Fused electron deficient semiconducting polymers for air stable electron transport

KAUST Repository

Onwubiko, Ada

2018-01-23

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Fused electron deficient semiconducting polymers for air stable electron transport

KAUST Repository

Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A.; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

2018-01-01

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Fused electron deficient semiconducting polymers for air stable electron transport.

Science.gov (United States)

Onwubiko, Ada; Yue, Wan; Jellett, Cameron; Xiao, Mingfei; Chen, Hung-Yang; Ravva, Mahesh Kumar; Hanifi, David A; Knall, Astrid-Caroline; Purushothaman, Balaji; Nikolka, Mark; Flores, Jean-Charles; Salleo, Alberto; Bredas, Jean-Luc; Sirringhaus, Henning; Hayoz, Pascal; McCulloch, Iain

2018-01-29

Conventional semiconducting polymer synthesis typically involves transition metal-mediated coupling reactions that link aromatic units with single bonds along the backbone. Rotation around these bonds contributes to conformational and energetic disorder and therefore potentially limits charge delocalisation, whereas the use of transition metals presents difficulties for sustainability and application in biological environments. Here we show that a simple aldol condensation reaction can prepare polymers where double bonds lock-in a rigid backbone conformation, thus eliminating free rotation along the conjugated backbone. This polymerisation route requires neither organometallic monomers nor transition metal catalysts and offers a reliable design strategy to facilitate delocalisation of frontier molecular orbitals, elimination of energetic disorder arising from rotational torsion and allowing closer interchain electronic coupling. These characteristics are desirable for high charge carrier mobilities. Our polymers with a high electron affinity display long wavelength NIR absorption with air stable electron transport in solution processed organic thin film transistors.

Resistive switching characteristics of solution-processed organic-inorganic blended films for flexible memory applications

Science.gov (United States)

Baek, Il-Jin; Cho, Won-Ju

2018-02-01

We developed a hybrid organic-inorganic resistive random access memory (ReRAM) device that uses a solution-process to overcome the disadvantages of organic and inorganic materials for flexible memory applications. The drawbacks of organic and inorganic materials are a poor electrical characteristics and a lack of flexibility, respectively. We fabricated a hybrid organic-inorganic switching layer of ReRAM by blending HfOx or AlOx solution with PMMA solution and investigated the resistive switching behaviour in Ti/PMMA/Pt, Ti/PMMA-HfOx/Pt and Ti/PMMA-AlOx/Pt structures. It is found that PMMA-HfOx or PMMA-AlOx hybrid switching layer has a larger memory window, more stable durability and retention characteristics, and a better set/reset voltage distribution than PMMA layer. Further, it is confirmed that the flexibility of the PMMA-HfOx and PMMA-AlOx blended films was almost similar to that of the organic PMMA film. Thus, the solution-processed organic-inorganic blended films are considered a promising material for a non-volatile memory device on a flexible or wearable electronic system.

Reactions driving conformational movements (molecular motors) in gels: conformational and structural chemical kinetics.

Science.gov (United States)

Otero, Toribio F

2017-01-18

In this perspective the empirical kinetics of conducting polymers exchanging anions and solvent during electrochemical reactions to get dense reactive gels is reviewed. The reaction drives conformational movements of the chains (molecular motors), exchange of ions and solvent with the electrolyte and structural (relaxation, swelling, shrinking and compaction) gel changes. Reaction-driven structural changes are identified and quantified from electrochemical responses. The empirical reaction activation energy (E a ), the reaction coefficient (k) and the reaction orders (α and β) change as a function of the conformational energy variation during the reaction. This conformational energy becomes an empirical magnitude. E a , k, α and β include and provide quantitative conformational and structural information. The chemical kinetics becomes structural chemical kinetics (SCK) for reactions driving conformational movements of the reactants. The electrochemically stimulated conformational relaxation model describes empirical results and some results from the literature for biochemical reactions. In parallel the development of an emerging technological world of soft, wet, multifunctional and biomimetic tools and anthropomorphic robots driven by reactions of the constitutive material, as in biological organs, can be now envisaged being theoretically supported by the kinetic model.

Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography

Energy Technology Data Exchange (ETDEWEB)

Kurpiewska, Katarzyna, E-mail: kurpiews@chemia.uj.edu.pl [Jagiellonian University, Faculty of Chemistry, Department of Crystal Chemistry and Crystal Physics, Protein Crystallography Group, Ingardena 3, 30-060 Kraków (Poland); Dziubek, Kamil; Katrusiak, Andrzej [Adam Mickiewicz University, Faculty of Chemistry, Department of Materials Chemistry, Umultowska 89b, 61-61 Poznań (Poland); Font, Josep [School of Medical Science, University of Sydney, NSW 2006 (Australia); Ribò, Marc; Vilanova, Maria [Universitat de Girona, Laboratorid’Enginyeria de Proteïnes, Departament de Biologia, Facultat de Ciències, Campus de Montilivi, 17071 Girona (Spain); Lewiński, Krzysztof [Jagiellonian University, Faculty of Chemistry, Department of Crystal Chemistry and Crystal Physics, Protein Crystallography Group, Ingardena 3, 30-060 Kraków (Poland)

2016-04-01

Highlights: • A unique crystallographic studies of wild-type and mutated form of the same protein under high pressure. • Compressibility of RNase A molecule is significantly affected by a single amino acid substitution. • High pressure protein crystallography helps understanding protein flexibility and identify conformational substrates. - Abstract: Hydrostatic pressure in range 0.1–1.5 GPa is used to modify biological system behaviour mostly in biophysical studies of proteins in solution. Due to specific influence on the system equilibrium high pressure can act as a filter that enables to identify and investigate higher energy protein conformers. The idea of the presented experiments is to examine the behaviour of RNase A molecule under high pressure before and after introduction of destabilizing mutation. For the first time crystal structures of wild-type bovine pancreatic ribonuclease A and its markedly less stable variant modified at position Ile106 were determined at different pressures. X-ray diffraction experiments at high pressure showed that the secondary structure of RNase A is well preserved even beyond 0.67 GPa at room temperature. Detailed structural analysis of ribonuclease A conformation observed under high pressure revealed that pressure influences hydrogen bonds pattern, cavity size and packing of molecule.

Structural investigation of ribonuclease A conformational preferences using high pressure protein crystallography

International Nuclear Information System (INIS)

Kurpiewska, Katarzyna; Dziubek, Kamil; Katrusiak, Andrzej; Font, Josep; Ribò, Marc; Vilanova, Maria; Lewiński, Krzysztof

2016-01-01

Highlights: • A unique crystallographic studies of wild-type and mutated form of the same protein under high pressure. • Compressibility of RNase A molecule is significantly affected by a single amino acid substitution. • High pressure protein crystallography helps understanding protein flexibility and identify conformational substrates. - Abstract: Hydrostatic pressure in range 0.1–1.5 GPa is used to modify biological system behaviour mostly in biophysical studies of proteins in solution. Due to specific influence on the system equilibrium high pressure can act as a filter that enables to identify and investigate higher energy protein conformers. The idea of the presented experiments is to examine the behaviour of RNase A molecule under high pressure before and after introduction of destabilizing mutation. For the first time crystal structures of wild-type bovine pancreatic ribonuclease A and its markedly less stable variant modified at position Ile106 were determined at different pressures. X-ray diffraction experiments at high pressure showed that the secondary structure of RNase A is well preserved even beyond 0.67 GPa at room temperature. Detailed structural analysis of ribonuclease A conformation observed under high pressure revealed that pressure influences hydrogen bonds pattern, cavity size and packing of molecule.

Axiomatic conformal field theory

International Nuclear Information System (INIS)

Gaberdiel, M.R.; Goddard, P.

2000-01-01

A new rigourous approach to conformal field theory is presented. The basic objects are families of complex-valued amplitudes, which define a meromorphic conformal field theory (or chiral algebra) and which lead naturally to the definition of topological vector spaces, between which vertex operators act as continuous operators. In fact, in order to develop the theory, Moebius invariance rather than full conformal invariance is required but it is shown that every Moebius theory can be extended to a conformal theory by the construction of a Virasoro field. In this approach, a representation of a conformal field theory is naturally defined in terms of a family of amplitudes with appropriate analytic properties. It is shown that these amplitudes can also be derived from a suitable collection of states in the meromorphic theory. Zhu's algebra then appears naturally as the algebra of conditions which states defining highest weight representations must satisfy. The relationship of the representations of Zhu's algebra to the classification of highest weight representations is explained. (orig.)

Quantum chemical studies on molecular structural conformations and hydrated forms of salicylamide and O-hydroxybenzoyl cyanide

Science.gov (United States)

Anandan, K.; Kolandaivel, P.; Kumaresan, R.

Ab initio and density functional theory (DFT) methods have been employed to study the molecular structural conformations and hydrated forms of both salicylamide (SAM) and O-hydroxybenzoyl cyanide (OHBC). Molecular geometries and energetics have been obtained in the gaseous phase by employing the Møller-Plesset type 2 MP2/6-311G(2d,2p) and B3LYP/6-311G(2d,2p) levels of theory. The presence of an electron-releasing group (SAM) leads to an increase in the energy of the molecular system, while the presence of an electron-withdrawing group (OHBC) drastically decreases the energy. Chemical reactivity parameters (η and μ) have been calculated using the energy values of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) obtained at the Hartree-Fock (HF)/6-311G(2d,2p) level of theory for all the conformers and the principle of maximum hardness (MHP) has been tested. The condensed Fukui functions have been calculated using the atomic charges obtained through the natural bond orbital (NBO) analysis scheme for all the optimized structures at the B3LYP/6-311G(2d,2p) level of theory, and the most reactive sites of the molecules have been identified. Nuclear magnetic resonance (NMR) studies have been carried out at the B3LYP/6-311G(2d,2p) level of theory for all the conformers in the gaseous phase on the basis of the method of Cheeseman and coworkers. The calculated chemical shift values have been used to discuss the delocalization activity of the electron clouds. The dimeric structures of the most stable conformers of both SAM and OHBC in the gaseous phase have been optimized at the B3LYP/6-311G(2d,2p) level of theory, and the interaction energies have been calculated. The most stable conformers of both compounds bear an intramolecular hydrogen bond, which gives rise to the formation of a pseudo-aromatic ring. These conformers have been allowed to interact with the water molecule. Special emphasis has been given to analysis of the

Conformal description of spinning particles

International Nuclear Information System (INIS)

Todorov, I.T.

1986-01-01

This book is an introduction to the application of the conformal group to quantum field theory of particles with spin. After an introduction to the twistor representations of the conformal group of a conformally flat space-time and twistor flag manifolds with Su(2,2) orbits the classical phase space of conformal spinning particles is described. Thereafter the twistor description of classical zero mass fields is considered together with the quantization. (HSI)

Conformal boundaries of warped products

DEFF Research Database (Denmark)

Kokkendorff, Simon Lyngby

2006-01-01

In this note we prove a result on how to determine the conformal boundary of a type of warped product of two length spaces in terms of the individual conformal boundaries. In the situation, that we treat, the warping and conformal distortion functions are functions of distance to a base point....... The result is applied to produce examples of CAT(0)-spaces, where the conformal and ideal boundaries differ in interesting ways....

Dynamics and control of twisting bi-stable structures

Science.gov (United States)

Arrieta, Andres F.; van Gemmeren, Valentin; Anderson, Aaron J.; Weaver, Paul M.

2018-02-01

Compliance-based morphing structures have the potential to offer large shape adaptation, high stiffness and low weight, while reducing complexity, friction, and scalability problems of mechanism based systems. A promising class of structure that enables these characteristics are multi-stable structures given their ability to exhibit large deflections and rotations without the expensive need for continuous actuation, with the latter only required intermittently. Furthermore, multi-stable structures exhibit inherently fast response due to the snap-through instability governing changes between stable states, enabling rapid configuration switching between the discrete number of programmed shapes of the structure. In this paper, the design and utilisation of the inherent nonlinear dynamics of bi-stable twisting I-beam structures for actuation with low strain piezoelectric materials is presented. The I-beam structure consists of three compliant components assembled into a monolithic single element, free of moving parts, and showing large deflections between two stable states. Finite element analysis is utilised to uncover the distribution of strain across the width of the flange, guiding the choice of positioning for piezoelectric actuators. In addition, the actuation authority is maximised by calculating the generalised coupling coefficient for different positions of the piezoelectric actuators. The results obtained are employed to tailor and test I-beam designs exhibiting desired large deflection between stable states, while still enabling the activation of snap-through with the low strain piezoelectric actuators. To this end, the dynamic response of the I-beams to piezoelectric excitation is investigated, revealing that resonant excitations are insufficient to dynamically trigger snap-through. A novel bang-bang control strategy, which exploits the nonlinear dynamics of the structure successfully triggers both single and constant snap-through between the stable states

Conformally connected universes

International Nuclear Information System (INIS)

Cantor, M.; Piran, T.

1983-01-01

A well-known difficulty associated with the conformal method for the solution of the general relativistic Hamiltonian constraint is the appearance of an aphysical ''bag of gold'' singularity at the nodal surface of the conformal factor. This happens whenever the background Ricci scalar is too large. Using a simple model, it is demonstrated that some of these singular solutions do have a physical meaning, and that these can be considered as initial data for Universe containing black holes, which are connected, in a conformally nonsingular way with each other. The relation between the ADM mass and the horizon area in this solution supports the cosmic censorship conjecture. (author)

Conformational Ensembles of α-Synuclein Derived Peptide with Different Osmolytes from Temperature Replica Exchange Sampling

Directory of Open Access Journals (Sweden)

Salma Jamal

2017-12-01

Full Text Available Intrinsically disordered proteins (IDP are a class of proteins that do not have a stable three-dimensional structure and can adopt a range of conformations playing various vital functional role. Alpha-synuclein is one such IDP which can aggregate into toxic protofibrils and has been associated largely with Parkinson's disease (PD along with other neurodegenerative diseases. Osmolytes are small organic compounds that can alter the environment around the proteins by acting as denaturants or protectants for the proteins. In the present study, we have conducted a series of replica exchange molecular dynamics simulations to explore the role of osmolytes, urea which is a denaturant and TMAO (trimethylamine N-oxide, a protecting osmolyte, in aggregation and conformations of the synuclein peptide. We observed that both the osmolytes have significantly distinct impacts on the peptide and led to transitions of the conformations of the peptide from one state to other. Our findings highlighted that urea attenuated peptide aggregation and resulted in the formation of extended peptide structures whereas TMAO led to compact and folded forms of the peptide.

Circuit-Host Coupling Induces Multifaceted Behavioral Modulations of a Gene Switch.

Science.gov (United States)

Blanchard, Andrew E; Liao, Chen; Lu, Ting

2018-02-06

Quantitative modeling of gene circuits is fundamentally important to synthetic biology, as it offers the potential to transform circuit engineering from trial-and-error construction to rational design and, hence, facilitates the advance of the field. Currently, typical models regard gene circuits as isolated entities and focus only on the biochemical processes within the circuits. However, such a standard paradigm is getting challenged by increasing experimental evidence suggesting that circuits and their host are intimately connected, and their interactions can potentially impact circuit behaviors. Here we systematically examined the roles of circuit-host coupling in shaping circuit dynamics by using a self-activating gene switch as a model circuit. Through a combination of deterministic modeling, stochastic simulation, and Fokker-Planck equation formalism, we found that circuit-host coupling alters switch behaviors across multiple scales. At the single-cell level, it slows the switch dynamics in the high protein production regime and enlarges the difference between stable steady-state values. At the population level, it favors cells with low protein production through differential growth amplification. Together, the two-level coupling effects induce both quantitative and qualitative modulations of the switch, with the primary component of the effects determined by the circuit's architectural parameters. This study illustrates the complexity and importance of circuit-host coupling in modulating circuit behaviors, demonstrating the need for a new paradigm-integrated modeling of the circuit-host system-for quantitative understanding of engineered gene networks. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

A conformational switch in the inhibitory gamma-subunit of PDE6 upon enzyme activation by transducin.

Science.gov (United States)

Granovsky, A E; Artemyev, N O

2001-11-06

In response to light, a photoreceptor G protein, transducin, activates cGMP-phosphodiesterase (PDE6) by displacing the inhibitory gamma-subunits (Pgamma) from the enzyme's catalytic sites. Evidence suggests that the activation of PDE6 involves a conformational change of the key inhibitory C-terminal domain of Pgamma. In this study, the C-terminal region of Pgamma, Pgamma-73-85, has been targeted for Ala-scanning mutagenesis to identify the point-to-point interactions between Pgamma and the PDE6 catalytic subunits and to probe the nature of the conformational change. Pgamma mutants were tested for their ability to inhibit PDE6 and a chimeric PDE5-conePDE6 enzyme containing the Pgamma C-terminus-binding site of cone PDE. This analysis has revealed that in addition to previously characterized Ile86 and Ile87, important inhibitory contact residues of Pgamma include Asn74, His75, and Leu78. The patterns of mutant PDE5-conePDE6 enzyme inhibition suggest the interaction between the PgammaAsn74/His75 sequence and Met758 of the cone PDE6alpha' catalytic subunit. This interaction, and the interaction between the PgammaIle86/Ile87 and PDE6alpha'Phe777/Phe781 residues, is most consistent with an alpha-helical structure of the Pgamma C-terminus. The analysis of activation of PDE6 enzymes containing Pgamma mutants with Ala-substituted transducin-contact residues demonstrated the critical role of PgammaLeu76. Accordingly, we hypothesize that the initial step in PDE6 activation involves an interaction of transducin-alpha with PgammaLeu76. This interaction introduces a bend into the alpha-helical structure of the Pgamma C-terminus, allowing transducin-alpha to further twist the C-terminus thereby uncovering the catalytic pocket of PDE6.

Optical switching systems using nanostructures

DEFF Research Database (Denmark)

Stubkjær, Kristian

2004-01-01

High capacity multiservice optical networks require compact and efficient switches. The potential benefits of optical switch elements based on nanostructured material are reviewed considering various material systems.......High capacity multiservice optical networks require compact and efficient switches. The potential benefits of optical switch elements based on nanostructured material are reviewed considering various material systems....

Gas spark switches with increased operating life for Marx generator of lightning test complex

Energy Technology Data Exchange (ETDEWEB)

Bykov, Yu. A.; Krastelev, E. G., E-mail: ekrastelev@yandex.ru [Russian Academy of Sciences, Joint Institute for High Temperature (Russian Federation)

2016-12-15

A new design of gas spark switches with an increased operating life and stable dynamic characteristics for the Marx generator of the lightning test complex has been developed. The switches are characterized by the following parameters in the mode of operation: voltage up to 80 kV, discharge current up to 50 kA, flowing charge up to 3.5 C/pulse. An increased operating life is achieved by using torus-shaped electrodes with increased working surface area and a trigger electrode in the form of a thick disk with a hole located between them. Low breakdown delay time and high stability of breakdown voltage under dynamic conditions are provided by gas preionization in the spark gap using UV radiation of an additional corona discharge in the axial region.

On Associative Conformal Algebras of Linear Growth

OpenAIRE

Retakh, Alexander

2000-01-01

Lie conformal algebras appear in the theory of vertex algebras. Their relation is similar to that of Lie algebras and their universal enveloping algebras. Associative conformal algebras play a role in conformal representation theory. We introduce the notions of conformal identity and unital associative conformal algebras and classify finitely generated simple unital associative conformal algebras of linear growth. These are precisely the complete algebras of conformal endomorphisms of finite ...

Practical switching power supply design

CERN Document Server

Brown, Martin C

1990-01-01

Take the ""black magic"" out of switching power supplies with Practical Switching Power Supply Design! This is a comprehensive ""hands-on"" guide to the theory behind, and design of, PWM and resonant switching supplies. You'll find information on switching supply operation and selecting an appropriate topology for your application. There's extensive coverage of buck, boost, flyback, push-pull, half bridge, and full bridge regulator circuits. Special attention is given to semiconductors used in switching supplies. RFI/EMI reduction, grounding, testing, and safety standards are also deta

Switching Phenomena

Science.gov (United States)

Stanley, H. E.; Buldyrev, S. V.; Franzese, G.; Havlin, S.; Mallamace, F.; Mazza, M. G.; Kumar, P.; Plerou, V.; Preis, T.; Stokely, K.; Xu, L.

One challenge of biology, medicine, and economics is that the systems treated by these serious scientific disciplines can suddenly "switch" from one behavior to another, even though they possess no perfect metronome in time. As if by magic, out of nothing but randomness one finds remarkably fine-tuned processes in time. The past century has, philosophically, been concerned with placing aside the human tendency to see the universe as a fine-tuned machine. Here we will address the challenge of uncovering how, through randomness (albeit, as we shall see, strongly correlated randomness), one can arrive at some of the many temporal patterns in physics, economics, and medicine and even begin to characterize the switching phenomena that enable a system to pass from one state to another. We discuss some applications of correlated randomness to understanding switching phenomena in various fields. Specifically, we present evidence from experiments and from computer simulations supporting the hypothesis that water's anomalies are related to a switching point (which is not unlike the "tipping point" immortalized by Malcolm Gladwell), and that the bubbles in economic phenomena that occur on all scales are not "outliers" (another Gladwell immortalization).

Conformal algebra of Riemann surfaces

International Nuclear Information System (INIS)

Vafa, C.

1988-01-01

It has become clear over the last few years that 2-dimensional conformal field theories are a crucial ingredient of string theory. Conformal field theories correspond to vacuum solutions of strings; or more precisely we know how to compute string spectrum and scattering amplitudes by starting from a formal theory (with a proper value of central charge of the Virasoro algebra). Certain non-linear sigma models do give rise to conformal theories. A lot of progress has been made in the understanding of conformal theories. The author discusses a different view of conformal theories which was motivated by the development of operator formalism on Riemann surfaces. The author discusses an interesting recent work from this point of view

Graphene Oxide-Based Q-Switched Erbium-Doped Fiber Laser

International Nuclear Information System (INIS)

Yap, Y. K.; Harun, S. W.; Ahmad, H.; Huang, N. M.

2013-01-01

We demonstrate a pulsed ring erbium-doped fiber laser based on graphene oxide (GO), employing a simplified Hummer's method to synthesize the GO via chemical oxidation of graphite flakes at room temperature. By dipping a fiber ferrule end face onto the GO suspension, GO is successfully coated onto the end face, making it a simple saturable absorption device. A stable Q-switched pulsed fiber laser is achieved with a low pump threshold of 9.5 mW at 980 nm. The pulse repetition rate ranges from 16.0 to 57.0 kHz. The pulse width and the pulse energy are studied and discussed

Conformational preferences of DNA following damage by aristolochic acids: Structural and energetic insights into the different mutagenic potential of the ALI and ALII-N(6)-dA adducts.

Science.gov (United States)

Kathuria, Preetleen; Sharma, Purshotam; Abendong, Minette N; Wetmore, Stacey D

2015-04-21

Aristolochic acids (AAI and AAII), produced by the Aristolochiaceae family of plants, are classified as group I (human) carcinogens by the International Agency for Research on Cancer. These acids are metabolized in cells to yield aristolactams (ALI and ALII, respectively), which further form bulky adducts with the purine nucleobases. Specifically, the adenine lesions are more persistent in cells and have been associated with chronic renal diseases and related carcinogenesis. To understand the structural basis of the nephrotoxicity induced by AAs, the ALI-N(6)-dA and ALII-N(6)-dA lesions are systematically studied using computational methods. Density functional theory calculations indicate that the aristolactam moiety intrinsically prefers a planar conformation with respect to adenine. Nucleoside and nucleotide models suggest that the anti and syn orientations about the glycosidic bond are isoenergetic for both adducts. Molecular dynamics simulations and free energy calculations reveal that the anti base-displaced intercalated conformation is the most stable conformer for both types of AL-N(6)-dA adducted DNA, which agrees with previous experimental work on the ALII-N(6)-dA adduct and thereby validates our approach. Interestingly, this conformer differs from the dominant conformations adopted by other N6-linked adenine lesions, including those derived from polycyclic aromatic hydrocarbons. Furthermore, the second most stable syn base-displaced intercalated conformation lies closer in energy to the anti base-displaced intercalated conformation for ALI-N(6)-dA compared to ALII-N(6)-dA. This indicates that a mixture of conformations may be detectable for ALI-N(6)-dA in DNA. If this enhanced conformational flexibility of double-stranded DNA persists when bound to a lesion-bypass polymerase, this provides a possible structural explanation for the previously observed greater nephrotoxic potential for the ALI versus ALII-N(6)-dA adduct. In addition, the structural

Voltage-induced switching with magnetoresistance signature in magnetic nano-filaments

International Nuclear Information System (INIS)

Sokolov, A; Sabirianov, I; Sabirianov, R; Doudin, B

2009-01-01

Large hysteretic resistance changes are reported on sub-100 nm diameter metallic nanowires including thin dielectric junctions. Bi-stable 50% switching in a double junction geometry is modeled in terms of an occupation-driven metal-insulator transition in one of the two junctions, using the generalized Poisson expressions of Oka and Nagaosa (2005 Phys. Rev. Lett. 95 266403). It illustrates how a band bending scheme can be generalized for strongly correlated electron systems. The magnetic constituents of the nanowires provide a magnetoresistive signature of the two resistance states, confirming our model and enabling a four states device application.

Conformality lost

International Nuclear Information System (INIS)

Kaplan, David B.; Lee, Jong-Wan; Son, Dam T.; Stephanov, Mikhail A.

2009-01-01

We consider zero-temperature transitions from conformal to nonconformal phases in quantum theories. We argue that there are three generic mechanisms for the loss of conformality in any number of dimensions: (i) fixed point goes to zero coupling, (ii) fixed point runs off to infinite coupling, or (iii) an IR fixed point annihilates with a UV fixed point and they both disappear into the complex plane. We give both relativistic and nonrelativistic examples of the last case in various dimensions and show that the critical behavior of the mass gap behaves similarly to the correlation length in the finite temperature Berezinskii-Kosterlitz-Thouless (BKT) phase transition in two dimensions, ξ∼exp(c/|T-T c | 1/2 ). We speculate that the chiral phase transition in QCD at large number of fermion flavors belongs to this universality class, and attempt to identify the UV fixed point that annihilates with the Banks-Zaks fixed point at the lower end of the conformal window.

Diode-pumped passively Q-switched Nd:GdTaO4 laser based on tungsten disulfide nanosheets saturable absorber at 1066 nm

Science.gov (United States)

Li, M. X.; Jin, G. Y.; Li, Y.

2018-05-01

In this paper, we investigated the passively Q-switched Nd:GdTaO4 laser based on tungsten disulfide (WS2) saturable absorber (SA). The preparation method of WS2 SA was to attach the WS2-alcohol dispersion onto the quartz substrates. The diode-pumped passively Q-switched Nd:GdTaO4 laser operated at a central wavelength of 1066 nm. The stable pulse output could be obtained at the single pulse width of 560 ns. In a word, WS2 seems to be a suitable saturable absorber for solid state lasers.

Complementary resistive switching in BaTiO3/NiO bilayer with opposite switching polarities

Science.gov (United States)

Li, Shuo; Wei, Xianhua; Lei, Yao; Yuan, Xincai; Zeng, Huizhong

2016-12-01

Resistive switching behaviors have been investigated in the Au/BaTiO3/NiO/Pt structure by stacking the two elements with different switching types. The conducting atomic force microscope measurements on BaTiO3 thin films and NiO thin films suggest that with the same active resistive switching region, the switching polarities in the two semiconductors are opposite to each other. It is in agreement with the bipolar hysteresis I-V curves with opposite switching polarities for single-layer devices. The bilayer devices show complementary resistive switching (CRS) without electroforming and unipolar resistive switching (URS) after electroforming. The coexistence of CRS and URS is mainly ascribed to the co-effect of electric field and Joule heating mechanisms, indicating that changeable of resistance in this device is dominated by the redistribution of oxygen vacancies in BaTiO3 and the formation, disruption, restoration of conducting filaments in NiO. CRS in bilayer with opposite switching polarities is effective to solve the sneak current without the introduction of any selector elements or an additional metal electrode.

Optimization of multi-branch switched diversity systems

KAUST Repository

Nam, Haewoon

2009-10-01

A performance optimization based on the optimal switching threshold(s) for a multi-branch switched diversity system is discussed in this paper. For the conventional multi-branch switched diversity system with a single switching threshold, the optimal switching threshold is a function of both the average channel SNR and the number of diversity branches, where computing the optimal switching threshold is not a simple task when the number of diversity branches is high. The newly proposed multi-branch switched diversity system is based on a sequence of switching thresholds, instead of a single switching threshold, where a different diversity branch uses a different switching threshold for signal comparison. Thanks to the fact that each switching threshold in the sequence can be optimized only based on the number of the remaining diversity branches, the proposed system makes it easy to find these switching thresholds. Furthermore, some selected numerical and simulation results show that the proposed switched diversity system with the sequence of optimal switching thresholds outperforms the conventional system with the single optimal switching threshold. © 2009 IEEE.

Hybrid switch for resonant power converters

Science.gov (United States)

Lai, Jih-Sheng; Yu, Wensong

2014-09-09

A hybrid switch comprising two semiconductor switches connected in parallel but having different voltage drop characteristics as a function of current facilitates attainment of zero voltage switching and reduces conduction losses to complement reduction of switching losses achieved through zero voltage switching in power converters such as high-current inverters.

40 CFR 93.154 - Conformity analysis.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Conformity analysis. 93.154 Section 93...) DETERMINING CONFORMITY OF FEDERAL ACTIONS TO STATE OR FEDERAL IMPLEMENTATION PLANS Determining Conformity of General Federal Actions to State or Federal Implementation Plans § 93.154 Conformity analysis. Any Federal...

Tutorial: Integrated-photonic switching structures

Science.gov (United States)

Soref, Richard

2018-02-01

Recent developments in waveguided 2 × 2 and N × M photonic switches are reviewed, including both broadband and narrowband resonant devices for the Si, InP, and AlN platforms. Practical actuation of switches by electro-optical and thermo-optical techniques is discussed. Present datacom-and-computing applications are reviewed, and potential applications are proposed for chip-scale photonic and optoelectronic integrated switching networks. Potential is found in the reconfigurable, programmable "mesh" switches that enable a promising group of applications in new areas beyond those in data centers and cloud servers. Many important matrix switches use gated semiconductor optical amplifiers. The family of broadband, directional-coupler 2 × 2 switches featuring two or three side-coupled waveguides deserves future experimentation, including devices that employ phase-change materials. The newer 2 × 2 resonant switches include standing-wave resonators, different from the micro-ring traveling-wave resonators. The resonant devices comprise nanobeam interferometers, complex-Bragg interferometers, and asymmetric contra-directional couplers. Although the fast, resonant devices offer ultralow switching energy, ˜1 fJ/bit, they have limitations. They require several trade-offs when deployed, but they do have practical application.

Recursion Relations for Conformal Blocks

CERN Document Server

Penedones, João; Yamazaki, Masahito

2016-09-12

In the context of conformal field theories in general space-time dimension, we find all the possible singularities of the conformal blocks as functions of the scaling dimension $\\Delta$ of the exchanged operator. In particular, we argue, using representation theory of parabolic Verma modules, that in odd spacetime dimension the singularities are only simple poles. We discuss how to use this information to write recursion relations that determine the conformal blocks. We first recover the recursion relation introduced in 1307.6856 for conformal blocks of external scalar operators. We then generalize this recursion relation for the conformal blocks associated to the four point function of three scalar and one vector operator. Finally we specialize to the case in which the vector operator is a conserved current.