WorldWideScience

Sample records for single molecular source

  1. Design and synthesis of single-source molecular precursors to homogeneous multi-component oxide materials

    Science.gov (United States)

    Fujdala, Kyle Lee

    This dissertation describes the syntheses of single-source molecular precursors to multi-component oxide materials. These molecules possess a core metal or element with various combinations of -OSi(O tBu)3, -O2P(OtBu) 2, and -OB[OSi(OtBu)3] 2 ligands. Such molecules decompose under mild thermolytic conditions (models for oxide-supported metal species and multi-component oxides. Significantly, the first complexes to contain three or more heteroelements suitable for use in the TMP method have been synthesized. Compounds for use as single-source molecular precursors have been synthesized containing Al, B, Cr, Hf, Mo, V, W, and Zr, and their thermal transformations have been examined. Heterogeneous catalytic reactions have been examined for selected materials. Also, cothermolyses of molecular precursors and additional molecules (i.e., metal alkoxides) have been utilized to provide materials with several components for potential use as catalysts or catalyst supports. Reactions of one and two equivs of HOSi(OtBu) 3 with Cr(OtBu)4 afforded the first Cr(IV) alkoxysiloxy complexes (tBuO) 3CrOSi(OtBu)3 and ( tBuO)2Cr[OSi(OtBu) 3]2, respectively. The high-yielding, convenient synthesis of (tBuO)3CrOSi(O tBu)3 make this complex a useful single-source molecular precursor, via the TMP method, to Cr/Si/O materials. The thermal transformations of (tBuO)3CrOSi(O tBu)3 and (tBuO) 2Cr[OSi(OtBu)3]2 to chromia-silica materials occurr at low temperatures (≤180°C), to give isobutene as the major carbon-containing product. The material generated from the solid-state conversion of (tBuO) 3CrOSi(OtBu)3 (CrOS ss) has an unexpectedly high surface area of 315 m2 g-1 that is slightly reduced to 275 m2 g-1 after calcination at 500°C in O2. The xerogel obtained by the thermolysis of an n-octane solution of (tBuO)3CrOSi(O tBu)3 (CrOSixg) has a surface area of 315 m2 g-1 that is reduced to 205 m2 g-1 upon calcination at 500°C. Powder X-ray diffraction (PXRD) analysis revealed that Cr2O 3 is

  2. Single-photon sources

    International Nuclear Information System (INIS)

    Lounis, Brahim; Orrit, Michel

    2005-01-01

    The concept of the photon, central to Einstein's explanation of the photoelectric effect, is exactly 100 years old. Yet, while photons have been detected individually for more than 50 years, devices producing individual photons on demand have only appeared in the last few years. New concepts for single-photon sources, or 'photon guns', have originated from recent progress in the optical detection, characterization and manipulation of single quantum objects. Single emitters usually deliver photons one at a time. This so-called antibunching of emitted photons can arise from various mechanisms, but ensures that the probability of obtaining two or more photons at the same time remains negligible. We briefly recall basic concepts in quantum optics and discuss potential applications of single-photon states to optical processing of quantum information: cryptography, computing and communication. A photon gun's properties are significantly improved by coupling it to a resonant cavity mode, either in the Purcell or strong-coupling regimes. We briefly recall early production of single photons with atomic beams, and the operation principles of macroscopic parametric sources, which are used in an overwhelming majority of quantum-optical experiments. We then review the photophysical and spectroscopic properties and compare the advantages and weaknesses of various single nanometre-scale objects used as single-photon sources: atoms or ions in the gas phase and, in condensed matter, organic molecules, defect centres, semiconductor nanocrystals and heterostructures. As new generations of sources are developed, coupling to cavities and nano-fabrication techniques lead to improved characteristics, delivery rates and spectral ranges. Judging from the brisk pace of recent progress, we expect single photons to soon proceed from demonstrations to applications and to bring with them the first practical uses of quantum information

  3. Open source molecular modeling.

    Science.gov (United States)

    Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

    2016-09-01

    The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. An updated online version of this catalog can be found at https://opensourcemolecularmodeling.github.io. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  4. GPC Single Source Letter

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  5. CH2 molecular beam source

    International Nuclear Information System (INIS)

    Porter, R.A.R.; Grosser, A.E.

    1980-01-01

    A molecular beam source of CH 2 is described. Coaxial beams of methylene halide and alkali metal react and the mixture is formed into a molecular beam. Passage through a mechanical velocity selector rotating at a suitably high speed purifies the beam, separating light, fast CH 2 from heavier, slower contaminating species

  6. Photon statistics characterization of a single-photon source

    International Nuclear Information System (INIS)

    Alleaume, R; Treussart, F; Courty, J-M; Roch, J-F

    2004-01-01

    In a recent experiment, we reported the time-domain intensity noise measurement of a single-photon source relying on single-molecule fluorescence control. In this paper, we present data processing starting from photocount timestamps. The theoretical analytical expression of the time-dependent Mandel parameter Q(T) of an intermittent single-photon source is derived from ON↔OFF dynamics. Finally, source intensity noise analysis, using the Mandel parameter, is quantitatively compared with the usual approach relying on the time autocorrelation function, both methods yielding the same molecular dynamical parameters

  7. Assessing Model Characterization of Single Source ...

    Science.gov (United States)

    Aircraft measurements made downwind from specific coal fired power plants during the 2013 Southeast Nexus field campaign provide a unique opportunity to evaluate single source photochemical model predictions of both O3 and secondary PM2.5 species. The model did well at predicting downwind plume placement. The model shows similar patterns of an increasing fraction of PM2.5 sulfate ion to the sum of SO2 and PM2.5 sulfate ion by distance from the source compared with ambient based estimates. The model was less consistent in capturing downwind ambient based trends in conversion of NOX to NOY from these sources. Source sensitivity approaches capture near-source O3 titration by fresh NO emissions, in particular subgrid plume treatment. However, capturing this near-source chemical feature did not translate into better downwind peak estimates of single source O3 impacts. The model estimated O3 production from these sources but often was lower than ambient based source production. The downwind transect ambient measurements, in particular secondary PM2.5 and O3, have some level of contribution from other sources which makes direct comparison with model source contribution challenging. Model source attribution results suggest contribution to secondary pollutants from multiple sources even where primary pollutants indicate the presence of a single source. The National Exposure Research Laboratory (NERL) Computational Exposure Division (CED) develops and evaluates data, deci

  8. Single-photon sources based on single molecules in solids

    International Nuclear Information System (INIS)

    Moerner, W E

    2004-01-01

    Single molecules in suitable host crystals have been demonstrated to be useful single-photon emitters both at liquid-helium temperatures and at room temperature. The low-temperature source achieved controllable emission of single photons from a single terrylene molecule in p-terphenyl by an adiabatic rapid passage technique. In contrast with almost all other single-molecule systems, terrylene single molecules show extremely high photostability under continuous, high-intensity irradiation. A room-temperature source utilizing this material has been demonstrated, in which fast pumping into vibrational sidebands of the electronically excited state achieved efficient inversion of the emissive level. This source yielded a single-photon emission probability p(1) of 0.86 at a detected count rate near 300 000 photons s -1 , with very small probability of emission of more than one photon. Thus, single molecules in solids can be considered as contenders for applications of single-photon sources such as quantum key distribution

  9. Molecular spintronics using single-molecule magnets

    Science.gov (United States)

    Bogani, Lapo; Wernsdorfer, Wolfgang

    2008-03-01

    A revolution in electronics is in view, with the contemporary evolution of the two novel disciplines of spintronics and molecular electronics. A fundamental link between these two fields can be established using molecular magnetic materials and, in particular, single-molecule magnets. Here, we review the first progress in the resulting field, molecular spintronics, which will enable the manipulation of spin and charges in electronic devices containing one or more molecules. We discuss the advantages over more conventional materials, and the potential applications in information storage and processing. We also outline current challenges in the field, and propose convenient schemes to overcome them.

  10. Single photon sources with single semiconductor quantum dots

    Science.gov (United States)

    Shan, Guang-Cun; Yin, Zhang-Qi; Shek, Chan Hung; Huang, Wei

    2014-04-01

    In this contribution, we briefly recall the basic concepts of quantum optics and properties of semiconductor quantum dot (QD) which are necessary to the understanding of the physics of single-photon generation with single QDs. Firstly, we address the theory of quantum emitter-cavity system, the fluorescence and optical properties of semiconductor QDs, and the photon statistics as well as optical properties of the QDs. We then review the localization of single semiconductor QDs in quantum confined optical microcavity systems to achieve their overall optical properties and performances in terms of strong coupling regime, efficiency, directionality, and polarization control. Furthermore, we will discuss the recent progress on the fabrication of single photon sources, and various approaches for embedding single QDs into microcavities or photonic crystal nanocavities and show how to extend the wavelength range. We focus in particular on new generations of electrically driven QD single photon source leading to high repetition rates, strong coupling regime, and high collection efficiencies at elevated temperature operation. Besides, new developments of room temperature single photon emission in the strong coupling regime are reviewed. The generation of indistinguishable photons and remaining challenges for practical single-photon sources are also discussed.

  11. Highly efficient sources of single indistinguishable photons

    DEFF Research Database (Denmark)

    Gregersen, Niels

    2013-01-01

    be electrically driven. Several design strategies addressing these requirements have been proposed. In the cavity-based source, light emission is controlled using resonant cavity quantum electrodynamics effects, whereas in the waveguide-based source, broadband electric field screening effects are employed......Solid-state sources capable of emitting single photons on demand are of great interest in quantum information applications. Ideally, such a source should emit exactly one photon into the collection optics per trigger, the emitted photons should be indistinguishable and the source should...

  12. Molecular discriminators using single wall carbon nanotubes

    International Nuclear Information System (INIS)

    Bhattacharyya, Tamoghna; Dasgupta, Anjan Kr; Ray, Nihar Ranjan; Sarkar, Sabyasachi

    2012-01-01

    The interaction between single wall carbon nanotubes (SWNTs) and amphiphilic molecules has been studied in a solid phase. SWNTs are allowed to interact with different amphiphilic probes (e.g. lipids) in a narrow capillary interface. Contact between strong hydrophobic and amphiphilic interfaces leads to a molecular restructuring of the lipids at the interface. The geometry of the diffusion front and the rate and the extent of diffusion of the interface are dependent on the structure of the lipid at the interface. Lecithin having a linear tail showed greater mobility of the interface as compared to a branched tail lipid like dipalmitoyl phosphatidylcholine, indicating the hydrophobic interaction between single wall carbon nanotube core and the hydrophobic tail of the lipid. Solid phase interactions between SWNT and lipids can thus become a very simple but efficient means of discriminating amphiphilic molecules in general and lipids in particular. (paper)

  13. Single Photon Sources in Silicon Carbide

    International Nuclear Information System (INIS)

    Brett Johnson

    2014-01-01

    Single photon sources in semiconductors are highly sought after as they constitute the building blocks of a diverse range of emerging technologies such as integrated quantum information processing, quantum metrology and quantum photonics. In this presentation, we show the first observation of single photon emission from deep level defects in silicon carbide (SiC). The single photon emission is photo-stable at room temperature and surprisingly bright. This represents an exciting alternative to diamond color centers since SiC possesses well-established growth and device engineering protocols. The defect is assigned to the carbon vacancy-antisite pair which gives rise to the AB photoluminescence lines. We discuss its photo-physical properties and their fabrication via electron irradiation. Preliminary measurements on 3C SiC nano-structures will also be discussed. (author)

  14. Molecular environmental science and synchrotron radiation sources

    Energy Technology Data Exchange (ETDEWEB)

    Brown, G.E. Jr. [Stanford Univ., CA (United States)

    1995-12-31

    Molecular environmental science is a relatively new field but focuses on the chemical and physical forms of toxic and/or radioactive contaminants in soils, sediments, man-made waste forms, natural waters, and the atmosphere; their possible reactions with inorganic and organic compounds, plants, and organisms in the environment; and the molecular-level factors that control their toxicity, bioavailability, and transport. The chemical speciation of a contaminant is a major factor in determining its behavior in the environment, and synchrotron-based X-ray absorption fine structure (XAFS) spectroscopy is one of the spectroscopies of choice to quantitatively determine speciation of heavy metal contaminants in situ without selective extraction or other sample treatment. The use of high-flux insertion device beam lines at synchrotron sources and multi-element array detectors has permitted XAFS studies of metals such as Se and As in natural soils at concentration levels as low as 50 ppm. The X-ray absorption near edge structure of these metals is particularly useful in determining their oxidation state. Examples of such studies will be presented, and new insertion device beam lines under development at SSRL and the Advanced Photon Source for molecular environmental science applications will be discussed.

  15. Experimental thermodynamics of single molecular motor.

    Science.gov (United States)

    Toyabe, Shoichi; Muneyuki, Eiro

    2013-01-01

    Molecular motor is a nano-sized chemical engine that converts chemical free energy to mechanical motions. Hence, the energetics is as important as kinetics in order to understand its operation principle. We review experiments to evaluate the thermodynamic properties of a rotational F1-ATPase motor (F1-motor) at a single-molecule level. We show that the F1-motor achieves 100% thermo dynamic efficiency at the stalled state. Furthermore, the motor reduces the internal irreversible heat inside the motor to almost zero and achieves a highly-efficient free energy transduction close to 100% during rotations far from quasistatic process. We discuss the mechanism of how the F1-motor achieves such a high efficiency, which highlights the remarkable property of the nano-sized engine F1-motor.

  16. Charge transport in single photochromic molecular junctions

    Science.gov (United States)

    Kim, Youngsang; Pietsch, T.; Scheer, Elke; Hellmuth, T.; Pauly, F.; Sysoiev, D.; Huhn, T.; Exner, T.; Groth, U.; Steiner, U.; Erbe, A.

    2012-02-01

    Recently, photoswitchable molecules, i.e. diarylethene, gained significant interest due to their applicability in data storage media, as optical switches, and in novel logic circuits [1]. Diarylethene-derivative molecules are the most promising candidates to design electronic functional elements, because of their excellent thermal stability, high fatigue resistance, and negligible change upon switching [1]. Here, we present the preferential conductance of specifically designed sulfur-free diarylethene molecules [2] bridging the mechanically controlled break-junctions at low temperatures [3]. The molecular energy levels and electrode couplings are obtained by evaluating the current-voltage characteristics using the single-level model [4]. The charge transport mechanism of different types of diarylethene molecules is investigated, and the results are discussed within the framework of novel theoretical predictions. [4pt] [1] M. Del Valle etal., Nat Nanotechnol 2, 176 (2007) S. J. van der Molen etal., Nano. Lett. 9, 76 (2009).[0pt] [2] D. Sysoiev etal., Chem. Eur. J. 17, 6663 (2011).[0pt] [3] Y. Kim etal., Phys. Rev. Lett. 106, 196804 (2011).[0pt] [4] Y. Kim etal., Nano Lett. 11, 3734 (2011). L. Zotti etal., Small 6, 1529 (2010).

  17. Current Source Density Estimation for Single Neurons

    Directory of Open Access Journals (Sweden)

    Dorottya Cserpán

    2014-03-01

    Full Text Available Recent developments of multielectrode technology made it possible to measure the extracellular potential generated in the neural tissue with spatial precision on the order of tens of micrometers and on submillisecond time scale. Combining such measurements with imaging of single neurons within the studied tissue opens up new experimental possibilities for estimating distribution of current sources along a dendritic tree. In this work we show that if we are able to relate part of the recording of extracellular potential to a specific cell of known morphology we can estimate the spatiotemporal distribution of transmembrane currents along it. We present here an extension of the kernel CSD method (Potworowski et al., 2012 applicable in such case. We test it on several model neurons of progressively complicated morphologies from ball-and-stick to realistic, up to analysis of simulated neuron activity embedded in a substantial working network (Traub et al, 2005. We discuss the caveats and possibilities of this new approach.

  18. Distributed quantum computing with single photon sources

    International Nuclear Information System (INIS)

    Beige, A.; Kwek, L.C.

    2005-01-01

    Full text: Distributed quantum computing requires the ability to perform nonlocal gate operations between the distant nodes (stationary qubits) of a large network. To achieve this, it has been proposed to interconvert stationary qubits with flying qubits. In contrast to this, we show that distributed quantum computing only requires the ability to encode stationary qubits into flying qubits but not the conversion of flying qubits into stationary qubits. We describe a scheme for the realization of an eventually deterministic controlled phase gate by performing measurements on pairs of flying qubits. Our scheme could be implemented with a linear optics quantum computing setup including sources for the generation of single photons on demand, linear optics elements and photon detectors. In the presence of photon loss and finite detector efficiencies, the scheme could be used to build large cluster states for one way quantum computing with a high fidelity. (author)

  19. Sub-megahertz linewidth single photon source

    Directory of Open Access Journals (Sweden)

    Markus Rambach

    2016-12-01

    Full Text Available We report 100% duty cycle generation of sub-MHz single photon pairs at the rubidium D1 line using cavity-enhanced spontaneous parametric downconversion. The temporal intensity cross correlation function exhibits a bandwidth of 666±16 kHz for the single photons, an order of magnitude below the natural linewidth of the target transition. A half-wave plate inside our cavity helps to achieve triple resonance between pump, signal, and idler photon, reducing the bandwidth and simplifying the locking scheme. Additionally, stabilisation of the cavity to the pump frequency enables the 100% duty cycle. The quantum nature of the source is confirmed by the idler-triggered second-order autocorrelation function at τ=0 to be gs,s(2(0= 0.016±0.002 for a heralding rate of 5 kHz. The generated photons are well-suited for storage in quantum memory schemes with sub-natural linewidths, such as gradient echo memories.

  20. A source of translationally cold molecular beams

    Science.gov (United States)

    Sarkozy, Laszlo C.

    Currently the fields studying or using molecules with low kinetic energies are experiencing an unprecedented growth. Astronomers and chemists are interested in chemical reactions taking place at temperatures below or around 20 K, spectroscopists could make very precise measurements on slow molecules and molecular physicists could chart the potential energy surfaces more accurately. And the list continues. All of these experiments need slow molecules, with kinetic energies from around 10 cm-1 down to 0. Several designs of cold sources have already been made. The most interesting ones are presented. This work describes the design and the testing of a cold source based on the collisional cooling technique: the molecules of interest are cooled well below their freezing point by a precooled buffer gas. This way condensation is avoided. The source is a copper cell cooled to 4.2 K by an external liquid helium bath. The cell is filled with cold buffer gas (helium). The molecules of choice (ammonia) are injected through a narrow tube in the middle of the cell. The cold molecules leave the cell through a 1 millimeter hole. Two versions of pulsing techniques have been employed: a shutter blade which covers the source hole and opens it only for short moments, and a chopper that modulates the beam further downstream. Both produced pulse lengths around 1 millisecond. The source is tested in an experiment in which the emerging molecules are focused and detected. Time of flight technique is used to measure the kinetic energies. Two detectors have been employed: a microwave cavity to analyze the state of the molecules in the beam, and a mass spectrometer to measure the number density of the particles. The molecules coming out of the source hole are formed into a beam by an electrostatic quadrupole state selector. The quantum mechanical aspects and the elements of electrodynamics involved in the focusing are described. A computer simulation program is presented, which helped

  1. Tailoring single-photon and multiphoton probabilities of a single-photon on-demand source

    International Nuclear Information System (INIS)

    Migdall, A.L.; Branning, D.; Castelletto, S.

    2002-01-01

    As typically implemented, single-photon sources cannot be made to produce single photons with high probability, while simultaneously suppressing the probability of yielding two or more photons. Because of this, single-photon sources cannot really produce single photons on demand. We describe a multiplexed system that allows the probabilities of producing one and more photons to be adjusted independently, enabling a much better approximation of a source of single photons on demand

  2. Molecular electronics with single molecules in solid-state devices

    DEFF Research Database (Denmark)

    Moth-Poulsen, Kasper; Bjørnholm, Thomas

    2009-01-01

    The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule...

  3. Molecular beam epitaxy of InP single junction and InP/In0.53Ga0.47As monolithically integrated tandem solar cells using solid phosphorous source material

    International Nuclear Information System (INIS)

    Delaney, A.; Chin, K.; Street, S.; Newman, F.; Aguilar, L.; Ignatiev, A.; Monier, C.; Velela, M.; Freundlich, A.

    1998-01-01

    This work reports the first InP solar cells, InP/In 0.53 Ga 0.47 As tandem solar cells and InP tunnel junctions to be grown using a solid phosphorous source cracker cell in a molecular beam epitaxy system. High p-type doping achieved with this system allowed for the development of InP tunnel junctions. These junctions which allow for improved current matching in subsequent monolithically integrated tandem devices also do not absorb photons which can be utilized in the InGaAs structure. Photocurrent spectral responses compared favorably to devices previously grown in a chemical beam epitaxy system. High resolution x-ray scans demonstrated good lattice matching between constituent parts of the tandem cell. AM0 efficiencies of both InP and InP/InGaAs tandem cells are reported

  4. Low Complexity Bayesian Single Channel Source Separation

    DEFF Research Database (Denmark)

    Beierholm, Thomas; Pedersen, Brian Dam; Winther, Ole

    2004-01-01

    can be estimated quite precisely using ML-II, but the estimation is quite sensitive to the accuracy of the priors as opposed to the source separation quality for known mixing coefficients, which is quite insensitive to the accuracy of the priors. Finally, we discuss how to improve our approach while...

  5. Single-photon source engineering using a Modal Method

    DEFF Research Database (Denmark)

    Gregersen, Niels

    Solid-state sources of single indistinguishable photons are of great interest for quantum information applications. The semiconductor quantum dot embedded in a host material represents an attractive platform to realize such a single-photon source (SPS). A near-unity efficiency, defined as the num...... nanowire SPSs...

  6. Single channel blind source separation based on ICA feature extraction

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new technique is proposed to solve the blind source separation (BSS) given only a single channel observation. The basis functions and the density of the coefficients of source signals learned by ICA are used as the prior knowledge. Based on the learned prior information the learning rules of single channel BSS are presented by maximizing the joint log likelihood of the mixed sources to obtain source signals from single observation,in which the posterior density of the given measurements is maximized. The experimental results exhibit a successful separation performance for mixtures of speech and music signals.

  7. Equivalent properties of single event burnout induced by different sources

    International Nuclear Information System (INIS)

    Yang Shiyu; Cao Zhou; Da Daoan; Xue Yuxiong

    2009-01-01

    The experimental results of single event burnout induced by heavy ions and 252 Cf fission fragments in power MOSFET devices have been investigated. It is concluded that the characteristics of single event burnout induced by 252 Cf fission fragments is consistent to that in heavy ions. The power MOSFET in the 'turn-off' state is more susceptible to single event burnout than it is in the 'turn-on' state. The thresholds of the drain-source voltage for single event burnout induced by 173 MeV bromine ions and 252 Cf fission fragments are close to each other, and the burnout cross section is sensitive to variation of the drain-source voltage above the threshold of single event burnout. In addition, the current waveforms of single event burnouts induced by different sources are similar. Different power MOSFET devices may have different probabilities for the occurrence of single event burnout. (authors)

  8. Summit Petroleum Corporation Single Source Determination

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  9. Single Source Determination for General Dynamics

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  10. 27-Level DC–AC inverter with single energy source

    International Nuclear Information System (INIS)

    Tsang, K.M.; Chan, W.L.

    2012-01-01

    Highlights: ► This paper reports a novel 27-level DC–AC inverter using only single renewable energy source. ► The efficiency of the inverter is very high. The output waveform is almost sinusoidal. ► The cost is low as the number of power switches required is only 12. - Abstract: A novel design of multilevel DC–AC inverter using only single renewable energy source is presented in this paper. The proposed approach enables multilevel output to be realised by a few cascaded H-bridges and a single energy source. As an illustration, a 27-level inverter has been implemented based on three cascaded H-bridges with a single energy source and two capacitors. Using the proposed novel switching strategy, 27 levels can be realized and the two virtual energy sources can be well regulated. Experimental results are included to demonstrate the effectiveness of the proposed inverter.

  11. Controlling single-molecule junction conductance by molecular interactions

    Science.gov (United States)

    Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

    2015-01-01

    For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

  12. Methods for forming particles from single source precursors

    Science.gov (United States)

    Fox, Robert V [Idaho Falls, ID; Rodriguez, Rene G [Pocatello, ID; Pak, Joshua [Pocatello, ID

    2011-08-23

    Single source precursors are subjected to carbon dioxide to form particles of material. The carbon dioxide may be in a supercritical state. Single source precursors also may be subjected to supercritical fluids other than supercritical carbon dioxide to form particles of material. The methods may be used to form nanoparticles. In some embodiments, the methods are used to form chalcopyrite materials. Devices such as, for example, semiconductor devices may be fabricated that include such particles. Methods of forming semiconductor devices include subjecting single source precursors to carbon dioxide to form particles of semiconductor material, and establishing electrical contact between the particles and an electrode.

  13. Multispectral optical tweezers for molecular diagnostics of single biological cells

    Science.gov (United States)

    Butler, Corey; Fardad, Shima; Sincore, Alex; Vangheluwe, Marie; Baudelet, Matthieu; Richardson, Martin

    2012-03-01

    Optical trapping of single biological cells has become an established technique for controlling and studying fundamental behavior of single cells with their environment without having "many-body" interference. The development of such an instrument for optical diagnostics (including Raman and fluorescence for molecular diagnostics) via laser spectroscopy with either the "trapping" beam or secondary beams is still in progress. This paper shows the development of modular multi-spectral imaging optical tweezers combining Raman and Fluorescence diagnostics of biological cells.

  14. High brightness single photon sources based on photonic wires

    DEFF Research Database (Denmark)

    Claudon, J.; Bleuse, J.; Bazin, M.

    2009-01-01

    We present a novel single-photon-source based on the emission of a semiconductor quantum dot embedded in a single-mode photonic wire. This geometry ensures a very large coupling (> 95%) of the spontaneous emission to the guided mode. Numerical simulations show that a photon collection efficiency...

  15. Single Turnover at Molecular Polymerization Catalysts Reveals Spatiotemporally Resolved Reactions.

    Science.gov (United States)

    Easter, Quinn T; Blum, Suzanne A

    2017-10-23

    Multiple active individual molecular ruthenium catalysts have been pinpointed within growing polynorbornene, thereby revealing information on the reaction dynamics and location that is unavailable through traditional ensemble experiments. This is the first single-turnover imaging of a molecular catalyst by fluorescence microscopy and allows detection of individual monomer reactions at an industrially important molecular ruthenium ring-opening metathesis polymerization (ROMP) catalyst under synthetically relevant conditions (e.g. unmodified industrial catalyst, ambient pressure, condensed phase, ca. 0.03 m monomer). These results further establish the key fundamentals of this imaging technique for characterizing the reactivity and location of active molecular catalysts even when they are the minor components. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Multi-photon absorption limits to heralded single photon sources

    Science.gov (United States)

    Husko, Chad A.; Clark, Alex S.; Collins, Matthew J.; De Rossi, Alfredo; Combrié, Sylvain; Lehoucq, Gaëlle; Rey, Isabella H.; Krauss, Thomas F.; Xiong, Chunle; Eggleton, Benjamin J.

    2013-01-01

    Single photons are of paramount importance to future quantum technologies, including quantum communication and computation. Nonlinear photonic devices using parametric processes offer a straightforward route to generating photons, however additional nonlinear processes may come into play and interfere with these sources. Here we analyse spontaneous four-wave mixing (SFWM) sources in the presence of multi-photon processes. We conduct experiments in silicon and gallium indium phosphide photonic crystal waveguides which display inherently different nonlinear absorption processes, namely two-photon (TPA) and three-photon absorption (ThPA), respectively. We develop a novel model capturing these diverse effects which is in excellent quantitative agreement with measurements of brightness, coincidence-to-accidental ratio (CAR) and second-order correlation function g(2)(0), showing that TPA imposes an intrinsic limit on heralded single photon sources. We build on these observations to devise a new metric, the quantum utility (QMU), enabling further optimisation of single photon sources. PMID:24186400

  17. The chemistry of molecular anions in circumstellar sources

    Energy Technology Data Exchange (ETDEWEB)

    Agúndez, Marcelino [LUTH, Observatoire de Paris-Meudon, 5 Place Jules Janssen, 92190 Meudon (France); Cernicharo, José [Departamento de Astrofísica, CAB, CSIC-INTA, Ctra. de Torrejón a Ajalvir km 4, 28850 Madrid (Spain); Guélin, Michel [Institut de Radioastronomie Millimétrique, 300 rue de la Piscine, 38406 Saint Martin d' Héres (France)

    2015-01-22

    The detection of negatively charged molecules in the interstellar and circumstellar medium in the past four years has been one of the most impacting surprises in the area of molecular astrophysics. It has motivated the interest of astronomers, physicists, and chemists on the study of the spectroscopy, chemical kinetics, and prevalence of molecular anions in the different astronomical regions. Up to six different molecular anions have been discovered in space to date, the last one being the small ion CN{sup −}, which has been observed in the envelope of the carbon star IRC +10216 and which contrary to the other larger anions is not formed by electron attachment to CN, but through reactions of large carbon anions with nitrogen atoms. Here we briefly review the current status of our knowledge of the chemistry of molecular anions in space, with particular emphasis on the circumstellar source IRC +10216, which to date is the astronomical source harboring the largest variety of anions.

  18. Molecular electronics with single molecules in solid-state devices.

    Science.gov (United States)

    Moth-Poulsen, Kasper; Bjørnholm, Thomas

    2009-09-01

    The ultimate aim of molecular electronics is to understand and master single-molecule devices. Based on the latest results on electron transport in single molecules in solid-state devices, we focus here on new insights into the influence of metal electrodes on the energy spectrum of the molecule, and on how the electron transport properties of the molecule depend on the strength of the electronic coupling between it and the electrodes. A variety of phenomena are observed depending on whether this coupling is weak, intermediate or strong.

  19. Energy Harvesting Research: The Road from Single Source to Multisource.

    Science.gov (United States)

    Bai, Yang; Jantunen, Heli; Juuti, Jari

    2018-06-07

    Energy harvesting technology may be considered an ultimate solution to replace batteries and provide a long-term power supply for wireless sensor networks. Looking back into its research history, individual energy harvesters for the conversion of single energy sources into electricity are developed first, followed by hybrid counterparts designed for use with multiple energy sources. Very recently, the concept of a truly multisource energy harvester built from only a single piece of material as the energy conversion component is proposed. This review, from the aspect of materials and device configurations, explains in detail a wide scope to give an overview of energy harvesting research. It covers single-source devices including solar, thermal, kinetic and other types of energy harvesters, hybrid energy harvesting configurations for both single and multiple energy sources and single material, and multisource energy harvesters. It also includes the energy conversion principles of photovoltaic, electromagnetic, piezoelectric, triboelectric, electrostatic, electrostrictive, thermoelectric, pyroelectric, magnetostrictive, and dielectric devices. This is one of the most comprehensive reviews conducted to date, focusing on the entire energy harvesting research scene and providing a guide to seeking deeper and more specific research references and resources from every corner of the scientific community. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Protecting single-photon entanglement with practical entanglement source

    Science.gov (United States)

    Zhou, Lan; Ou-Yang, Yang; Wang, Lei; Sheng, Yu-Bo

    2017-06-01

    Single-photon entanglement (SPE) is important for quantum communication and quantum information processing. However, SPE is sensitive to photon loss. In this paper, we discuss a linear optical amplification protocol for protecting SPE. Different from the previous protocols, we exploit the practical spontaneous parametric down-conversion (SPDC) source to realize the amplification, for the ideal entanglement source is unavailable in current quantum technology. Moreover, we prove that the amplification using the entanglement generated from SPDC source as auxiliary is better than the amplification assisted with single photons. The reason is that the vacuum state from SPDC source will not affect the amplification, so that it can be eliminated automatically. This protocol may be useful in future long-distance quantum communications.

  1. Molecular electronics--resonant transport through single molecules.

    Science.gov (United States)

    Lörtscher, Emanuel; Riel, Heike

    2010-01-01

    The mechanically controllable break-junction technique (MCBJ) enables us to investigate charge transport through an individually contacted and addressed molecule in ultra-high vacuum (UHV) environment at variable temperature ranging from room temperature down to 4 K. Using a statistical measurement and analysis approach, we acquire current-voltage (I-V) characteristics during the repeated formation, manipulation, and breaking of a molecular junction. At low temperatures, voltages accessing the first molecular orbitals in resonance can be applied, providing spectroscopic information about the junction's energy landscape, in particular about the molecular level alignment in respect to the Fermi energy of the electrodes. Thereby, we can investigate the non-linear transport properties of various types of functional molecules and explore their potential use as functional building blocks for future nano-electronics. An example will be given by the reversible and controllable switching between two distinct conductive states of a single molecule. As a proof-of-principle for functional molecular devices, a single-molecule memory element will be demonstrated.

  2. Processing of transmission data from an uncollimated single photon source

    International Nuclear Information System (INIS)

    Dikaios, N.; Dinelle, K.; Spinks, T.; Nikita, K.; Thielemans, K.

    2006-01-01

    The EXACT 3D PET scanner uses a Cs-137 single photon rotating point source for the transmission scan. As the source is un-collimated, the transmission data are contaminated by scatter. It has been suggested that segmentation of the reconstructed image can restore the quantitative information in the image. We study here if the results can be further improved by the application of a scale factor for every transaxial plane

  3. Quantum Dot Platform for Single-Cell Molecular Profiling

    Science.gov (United States)

    Zrazhevskiy, Pavel S.

    In-depth understanding of the nature of cell physiology and ability to diagnose and control the progression of pathological processes heavily rely on untangling the complexity of intracellular molecular mechanisms and pathways. Therefore, comprehensive molecular profiling of individual cells within the context of their natural tissue or cell culture microenvironment is essential. In principle, this goal can be achieved by tagging each molecular target with a unique reporter probe and detecting its localization with high sensitivity at sub-cellular resolution, primarily via microscopy-based imaging. Yet, neither widely used conventional methods nor more advanced nanoparticle-based techniques have been able to address this task up to date. High multiplexing potential of fluorescent probes is heavily restrained by the inability to uniquely match probes with corresponding molecular targets. This issue is especially relevant for quantum dot probes---while simultaneous spectral imaging of up to 10 different probes is possible, only few can be used concurrently for staining with existing methods. To fully utilize multiplexing potential of quantum dots, it is necessary to design a new staining platform featuring unique assignment of each target to a corresponding quantum dot probe. This dissertation presents two complementary versatile approaches towards achieving comprehensive single-cell molecular profiling and describes engineering of quantum dot probes specifically tailored for each staining method. Analysis of expanded molecular profiles is achieved through augmenting parallel multiplexing capacity with performing several staining cycles on the same specimen in sequential manner. In contrast to other methods utilizing quantum dots or other nanoparticles, which often involve sophisticated probe synthesis, the platform technology presented here takes advantage of simple covalent bioconjugation and non-covalent self-assembly mechanisms for straightforward probe

  4. Piling up technology of goods irradiated by single plate source

    International Nuclear Information System (INIS)

    Xia Hezhou; Chen Yuxia; Cao Hongyun; Lin Yong; Zhou guoquan

    1999-01-01

    In the irradiation process of piling up goods in static state, four irradiation working sites and single plate source was adopted. The results showed that piling up in this way remarkably raised the irradiation quality of goods. The utilization rate of radioactive ray reached 22.27%

  5. Equitable Prices of Single-Source Drugs in Thailand.

    Science.gov (United States)

    Ngorsuraches, Surachat; Chaiyakan, Kanokkan

    2015-08-01

    In Thailand, total drug expenditure has grown rapidly. Recently, the Thai government has addressed the issue of drug pricing, but the prices of single-source drugs remain a major challenge. To examine equitable prices of single-source drugs in Thailand. A total of 98 single-source and high-expenditure drugs were examined. Unit prices from the Drug and Medical Supplies Information Center (DMSIC) and National Average Drug Acquisition Cost (NADAC) were used to represent drug prices at the provider level in Thailand and the U.S., respectively. Data for measuring drug affordability, e.g., dose and poverty line, were obtained from Micromedex online and the National Statistical Office (NSO). The U.S. drug prices were adjusted by the Human Development Index (HDI) to be equitable prices for Thailand. Purchasing Power Parity (PPP) was used to convert US currency into Thai baht. All prices in this study were based on the year 2012. Catastrophic, Impoverishment, and WHO/Health Action International (HAI) approaches were used to determine Thai citizens' ability to afford the study drugs. Finally, uncertainty analyses were conducted. From all study drugs, 55 single-source drugs were priced higher than their equitable prices, ranging from 0.38 to 422.36% higher. Among these, 28 items were antineoplastic drugs. The prices of drugs outside the National List of Essential Medicines (NLEM), as well as the country's newer drugs, tended to be higher than their calculated equitable prices. The majority of drugs in Thailand priced higher than equitable prices were unaffordable for most Thai citizens. The uncertainty analyses revealed that almost all results were relatively robust. Most single-source drug prices in Thailand were higher than their equitable prices, and were likely to be unaffordable to Thai citizens.

  6. A molecular quantum spin network controlled by a single qubit.

    Science.gov (United States)

    Schlipf, Lukas; Oeckinghaus, Thomas; Xu, Kebiao; Dasari, Durga Bhaktavatsala Rao; Zappe, Andrea; de Oliveira, Felipe Fávaro; Kern, Bastian; Azarkh, Mykhailo; Drescher, Malte; Ternes, Markus; Kern, Klaus; Wrachtrup, Jörg; Finkler, Amit

    2017-08-01

    Scalable quantum technologies require an unprecedented combination of precision and complexity for designing stable structures of well-controllable quantum systems on the nanoscale. It is a challenging task to find a suitable elementary building block, of which a quantum network can be comprised in a scalable way. We present the working principle of such a basic unit, engineered using molecular chemistry, whose collective control and readout are executed using a nitrogen vacancy (NV) center in diamond. The basic unit we investigate is a synthetic polyproline with electron spins localized on attached molecular side groups separated by a few nanometers. We demonstrate the collective readout and coherent manipulation of very few (≤ 6) of these S = 1/2 electronic spin systems and access their direct dipolar coupling tensor. Our results show that it is feasible to use spin-labeled peptides as a resource for a molecular qubit-based network, while at the same time providing simple optical readout of single quantum states through NV magnetometry. This work lays the foundation for building arbitrary quantum networks using well-established chemistry methods, which has many applications ranging from mapping distances in single molecules to quantum information processing.

  7. Preparation and coherent manipulation of pure quantum states of a single molecular ion

    Science.gov (United States)

    Chou, Chin-Wen; Kurz, Christoph; Hume, David B.; Plessow, Philipp N.; Leibrandt, David R.; Leibfried, Dietrich

    2017-05-01

    Laser cooling and trapping of atoms and atomic ions has led to advances including the observation of exotic phases of matter, the development of precision sensors and state-of-the-art atomic clocks. The same level of control in molecules could also lead to important developments such as controlled chemical reactions and sensitive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecules pose a challenge for controlling their quantum mechanical states. Here we use quantum-logic spectroscopy, which maps quantum information between two ion species, to prepare and non-destructively detect quantum mechanical states in molecular ions. We develop a general technique for optical pumping and preparation of the molecule into a pure initial state. This enables us to observe high-resolution spectra in a single ion (CaH+) and coherent phenomena such as Rabi flopping and Ramsey fringes. The protocol requires a single, far-off-resonant laser that is not specific to the molecule, so many other molecular ions, including polyatomic species, could be treated using the same methods in the same apparatus by changing the molecular source. Combined with the long interrogation times afforded by ion traps, a broad range of molecular ions could be studied with unprecedented control and precision. Our technique thus represents a critical step towards applications such as precision molecular spectroscopy, stringent tests of fundamental physics, quantum computing and precision control of molecular dynamics.

  8. A novel high-efficiency single-mode quantum dot single photon source

    DEFF Research Database (Denmark)

    Gerard, J.M.; Gregersen, Niels; Nielsen, Torben Roland

    2008-01-01

    We present a novel single-mode single photon source exploiting the emission of a semiconductor quantum dot (QD) located inside a photonic wire. Besides an excellent coupling (>95%) of QD spontaneous emission to the fundamental guided mode [1], we show that a single photon collection efficiency...... above 80% within a 0.5 numerical aperture can be achieved using a bottom Bragg mirror and a tapering of the nanowire tip. Because this photon collection strategy does not exploit the Purcell effect, it could also be efficiently applied to broadband single photon emitters such as F-centers in diamond....

  9. Molecular single photon double K-shell ionization

    International Nuclear Information System (INIS)

    Penent, F.; Nakano, M.; Tashiro, M.; Grozdanov, T.P.; Žitnik, M.; Carniato, S.; Selles, P.; Andric, L.; Lablanquie, P.; Palaudoux, J.; Shigemasa, E.; Iwayama, H.; Hikosaka, Y.; Soejima, K.; Suzuki, I.H.; Kouchi, N.; Ito, K.

    2014-01-01

    We have studied single photon double K-shell ionization of small molecules (N 2 , CO, C 2 H 2n (n = 1–3), …) and the Auger decay of the resulting double core hole (DCH) molecular ions thanks to multi-electron coincidence spectroscopy using a magnetic bottle time-of-flight spectrometer. The relative cross-sections for single-site (K −2 ) and two-site (K −1 K −1 ) double K-shell ionization with respect to single K-shell (K −1 ) ionization have been measured that gives important information on the mechanisms of single photon double ionization. The spectroscopy of two-site (K −1 K −1 ) DCH states in the C 2 H 2n (n = 1–3) series shows important chemical shifts due to a strong dependence on the C-C bond length. In addition, the complete cascade Auger decay following single site (K −2 ) ionization has been obtained

  10. Improving Single-Carbon-Nanotube-Electrode Contacts Using Molecular Electronics.

    Science.gov (United States)

    Krittayavathananon, Atiweena; Ngamchuea, Kamonwad; Li, Xiuting; Batchelor-McAuley, Christopher; Kätelhön, Enno; Chaisiwamongkhol, Korbua; Sawangphruk, Montree; Compton, Richard G

    2017-08-17

    We report the use of an electroactive species, acetaminophen, to modify the electrical connection between a carbon nanotube (CNT) and an electrode. By applying a potential across two electrodes, some of the CNTs in solution occasionally contact the electrified interface and bridge between two electrodes. By observing a single CNT contact between two microbands of an interdigitated Au electrode in the presence and absence of acetaminophen, the role of the molecular species at the electronic junction is revealed. As compared with the pure CNT, the current magnitude of the acetaminophen-modified CNTs significantly increases with the applied potentials, indicating that the molecule species improves the junction properties probably via redox shuttling.

  11. Manipulating localized molecular orbitals by single-atom contacts.

    Science.gov (United States)

    Wang, Weihua; Shi, Xingqiang; Lin, Chensheng; Zhang, Rui Qin; Minot, Christian; Van Hove, Michel A; Hong, Yuning; Tang, Ben Zhong; Lin, Nian

    2010-09-17

    We have fabricated atom-molecule contacts by attachment of single Cu atoms to terpyridine side groups of bis-terpyridine tetra-phenyl ethylene molecules on a Cu(111) surface. By means of scanning tunneling microscopy, spectroscopy, and density functional calculations, we have found that, due to the localization characteristics of molecular orbitals, the Cu-atom contact modifies the state localized at the terpyridine side group which is in contact with the Cu atom but does not affect the states localized at other parts of the molecule. These results illustrate the contact effects at individual orbitals and offer possibilities to manipulate orbital alignments within molecules.

  12. Stable single-photon source in the near infrared

    International Nuclear Information System (INIS)

    Gaebel, T; Popa, I; Gruber, A; Domhan, M; Jelezko, F; Wrachtrup, J

    2004-01-01

    Owing to their unsurpassed photostability, defects in solids may be ideal candidates for single-photon sources. Here we report on generation of single photons by optical excitation of a yet unexplored defect in diamond, the nickel-nitrogen complex (NE8) centre. The most striking feature of the defect is its emission bandwidth of 1.2 nm at room temperature. The emission wavelength of the defect is around 800 nm, which is suitable for telecom fibres. In addition, in this spectral region little background light from the diamond bulk material is detected. Consequently, a high contrast in antibunching measurements is achieved

  13. Ionization dual-zone static detector having single radioactive source

    International Nuclear Information System (INIS)

    Ried, L. Jr.; Wade, A.L.

    1977-01-01

    This ionization detector or combustion product detector includes a single radioactive source located in an ionization chamber, and the ionization chamber includes portions comprising a reference zone and a signal zone. Electrical circuitry connected to the reference and signal zones provides an output signal directly related to changes in voltages across the signal zone in relation to the amount of particulates of combustion present in the ionization chamber

  14. MICROORGANISMS: A MARVELOUS SOURCE OF SINGLE CELL PROTEINS

    Directory of Open Access Journals (Sweden)

    Agam Nangul

    2013-08-01

    Full Text Available The increasing global population living below the poverty line is driving the scientific community to search for non-conventional protein sources that can replace conventional expensive ones. Microbial proteins, or single-cell protein (SCP, represent a potential future nutrient source for human food and animal feed. These microbial proteins can be grown rapidly on substrates with minimum dependence on soil, water and climate conditions. They can be produced from algae, fungi and bacteria the chief sources of SCP. It is convenient to use microorganisms for production of SCP as they grow rapidly and have high protein content. Industrially, they can be produced from algal biomass, yeast, fungi. There are several other ways of getting SCP as well. Despite numerous advantages of SCP, they have disadvantages and toxic effects too, especially related to mycotoxins and bacterial toxins.

  15. Single molecular biology: coming of age in DNA replication.

    Science.gov (United States)

    Liu, Xiao-Jing; Lou, Hui-Qiang

    2017-09-20

    DNA replication is an essential process of the living organisms. To achieve precise and reliable replication, DNA polymerases play a central role in DNA synthesis. Previous investigations have shown that the average rates of DNA synthesis on the leading and lagging strands in a replisome must be similar to avoid the formation of significant gaps in the nascent strands. The underlying mechanism has been assumed to be coordination between leading- and lagging-strand polymerases. However, Kowalczykowski's lab members recently performed single molecule techniques in E. coli and showed the real-time behavior of a replisome. The leading- and lagging-strand polymerases function stochastically and independently. Furthermore, when a DNA polymerase is paused, the helicase slows down in a self-regulating fail-safe mechanism, akin to a ''dead-man's switch''. Based on the real-time single-molecular observation, the authors propose that leading- and lagging-strand polymerases synthesize DNA stochastically within a Gaussian distribution. Along with the development and application of single-molecule techniques, we will witness a new age of DNA replication and other biological researches.

  16. Localizing gravitational wave sources with single-baseline atom interferometers

    Science.gov (United States)

    Graham, Peter W.; Jung, Sunghoon

    2018-02-01

    Localizing sources on the sky is crucial for realizing the full potential of gravitational waves for astronomy, astrophysics, and cosmology. We show that the midfrequency band, roughly 0.03 to 10 Hz, has significant potential for angular localization. The angular location is measured through the changing Doppler shift as the detector orbits the Sun. This band maximizes the effect since these are the highest frequencies in which sources live for several months. Atom interferometer detectors can observe in the midfrequency band, and even with just a single baseline they can exploit this effect for sensitive angular localization. The single-baseline orbits around the Earth and the Sun, causing it to reorient and change position significantly during the lifetime of the source, and making it similar to having multiple baselines/detectors. For example, atomic detectors could predict the location of upcoming black hole or neutron star merger events with sufficient accuracy to allow optical and other electromagnetic telescopes to observe these events simultaneously. Thus, midband atomic detectors are complementary to other gravitational wave detectors and will help complete the observation of a broad range of the gravitational spectrum.

  17. Nonlinear and Nonsymmetric Single-Molecule Electronic Properties Towards Molecular Information Processing.

    Science.gov (United States)

    Tamaki, Takashi; Ogawa, Takuji

    2017-09-05

    This review highlights molecular design for nonlinear and nonsymmetric single-molecule electronic properties such as rectification, negative differential resistance, and switching, which are important components of future single-molecule information processing devices. Perspectives on integrated "molecular circuits" are also provided. Nonlinear and nonsymmetric single-molecule electronics can be designed by utilizing (1) asymmetric molecular cores, (2) asymmetric anchoring groups, (3) an asymmetric junction environment, and (4) asymmetric electrode materials. This review mainly focuses on the design of molecular cores.

  18. Spin models for the single molecular magnet Mn12-AC

    Science.gov (United States)

    Al-Saqer, Mohamad A.

    2005-11-01

    The single molecular magnet (SMM) Mn12-AC attracted the attention of scientists since the discovery of its magnetic hystereses which are accompanied by sudden jumps in magnetic moments at low temperature. Unlike conventional bulk magnets, hysteresis in SMMs is of molecular origin. This qualifies them as candidates for next generation of high density storage media where a molecule which is at most few nanometers in size can be used to store a bit of information. However, the jumps in these hystereses, due to spin tunneling, can lead to undesired loss of information. Mn12-AC molecule contains twelve magnetic ions antiferromagnetically coupled by exchanges leading to S = 10 ground state manifold. The magnetic ions are surrounded by ligands which isolate them magnetically from neighboring molecules. The lowest state of S = 9 manifold is believed to lie at about 40 K above the ground state. Therefore, at low temperatures, the molecule is considered as a single uncoupled moment of spin S = 10. Such model has been used widely to understand phenomena exhibited by the molecule at low temperatures including the tunneling of its spin, while a little attention has been paid for the multi-spin nature of the molecule. Using the 8-spin model, we demonstrate that in order to understand the phenomena of tunneling, a full spin description of the molecule is required. We utilized a calculation scheme where a fraction of energy levels are used in the calculations and the influence of levels having higher energy is neglected. From the dependence of tunnel splittings on the number of states include, we conclude that models based on restricting the number of energy levels (single-spin and 8-spin models) lead to unreliable results of tunnel splitting calculations. To attack the full 12-spin model, we employed the Davidson algorithm to calculated lowest energy levels produced by exchange interactions and single ion anisotropies. The model reproduces the anisotropy properties at low

  19. Failure of single electron descriptions of molecular orbital collision processes

    International Nuclear Information System (INIS)

    Elston, S.B.

    1978-01-01

    Inner-shell excitation occurring in low and moderate (keV range) energy collisions between light atomic and ionic systems is frequently describable in terms of molecular promotion mechanisms, which were extensively explored both theoretically and experimentally. The bulk of such studies have concentrated on processes understandable through the use of single- and independent-electron models. Nonetheless, it is possible to find cases of inner-shell excitation in relatively simple collision systems which involve nearly simultaneous multiple-electron transitions and transitions induced by inherently two-electron interactions. Evidence for these many- and nonindependent-electron phenomena in inner-shell excitation processes and the importance of considering such effects in the interpretation of collisionally induced excitation spectra is discussed. 13 references

  20. Molecular Etiology of Hereditary Single-Side Deafness

    Science.gov (United States)

    Kim, Shin Hye; Kim, Ah Reum; Choi, Hyun Seok; Kim, Min Young; Chun, Eun Hi; Oh, Seung-Ha; Choi, Byung Yoon

    2015-01-01

    Abstract Unilateral sensorineural hearing loss (USNHL)/single-side deafness (SSD) is a frequently encountered disability in children. The etiology of a substantial portion of USNHL/SSD still remains unknown, and genetic causes have not been clearly elucidated. In this study, the authors evaluated the heritability of USNHL/SSD. The authors sequentially recruited 50 unrelated children with SSD. For an etiologic diagnosis, we performed a rigorous review on the phenotypes of family members of all children and conducted, if necessary, molecular genetic tests including targeted exome sequencing of 129 deafness genes. Among the 50 SSD children cohort, the authors identify 4 (8%) unrelated SSD probands from 4 families (SH136, SB173, SB177, and SB199) with another hearing impaired family members. Notably, all 4 probands in our cohort with a familial history of SSD also have pigmentary abnormalities such as brown freckles or premature gray hair within first degree relatives, which may indicate that genes whose products are involved with pigmentary disorder could be candidates for heritable SSD. Indeed, SH136 and SB199 turned out to segregate a mutation in MITF and PAX3, respectively, leading to a molecular diagnosis of Waardenburg syndrome (WS). We report, for the first time in the literature, a significant heritability of pediatric SSD. There is a strong association between the heritability of USNHL/SSD and the pigmentary abnormality, shedding a new light on the understanding of the molecular basis of heritable USNHL/SSD. In case of children with congenital SSD, it would be mandatory to rigorously screen pigmentary abnormalities. WS should also be included in the differential diagnosis of children with USNHL/SSD, especially in a familial form. PMID:26512583

  1. Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

    Science.gov (United States)

    Nguyen, Giang D.; Tsai, Hsin-Zon; Omrani, Arash A.; Marangoni, Tomas; Wu, Meng; Rizzo, Daniel J.; Rodgers, Griffin F.; Cloke, Ryan R.; Durr, Rebecca A.; Sakai, Yuki; Liou, Franklin; Aikawa, Andrew S.; Chelikowsky, James R.; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.

    2017-11-01

    The rational bottom-up synthesis of atomically defined graphene nanoribbon (GNR) heterojunctions represents an enabling technology for the design of nanoscale electronic devices. Synthetic strategies used thus far have relied on the random copolymerization of two electronically distinct molecular precursors to yield GNR heterojunctions. Here we report the fabrication and electronic characterization of atomically precise GNR heterojunctions prepared through late-stage functionalization of chevron GNRs obtained from a single precursor. Post-growth excitation of fully cyclized GNRs induces cleavage of sacrificial carbonyl groups, resulting in atomically well-defined heterojunctions within a single GNR. The GNR heterojunction structure was characterized using bond-resolved scanning tunnelling microscopy, which enables chemical bond imaging at T = 4.5 K. Scanning tunnelling spectroscopy reveals that band alignment across the heterojunction interface yields a type II heterojunction, in agreement with first-principles calculations. GNR heterojunction band realignment proceeds over a distance less than 1 nm, leading to extremely large effective fields.

  2. Methods of forming single source precursors, methods of forming polymeric single source precursors, and single source precursors and intermediate products formed by such methods

    Science.gov (United States)

    Fox, Robert V.; Rodriguez, Rene G.; Pak, Joshua J.; Sun, Chivin; Margulieux, Kelsey R.; Holland, Andrew W.

    2012-12-04

    Methods of forming single source precursors (SSPs) include forming intermediate products having the empirical formula 1/2{L.sub.2N(.mu.-X).sub.2M'X.sub.2}.sub.2, and reacting MER with the intermediate products to form SSPs of the formula L.sub.2N(.mu.-ER).sub.2M'(ER).sub.2, wherein L is a Lewis base, M is a Group IA atom, N is a Group IB atom, M' is a Group IIIB atom, each E is a Group VIB atom, each X is a Group VIIA atom or a nitrate group, and each R group is an alkyl, aryl, vinyl, (per)fluoro alkyl, (per)fluoro aryl, silane, or carbamato group. Methods of forming polymeric or copolymeric SSPs include reacting at least one of HE.sup.1R.sup.1E.sup.1H and MER with one or more substances having the empirical formula L.sub.2N(.mu.-ER).sub.2M'(ER).sub.2 or L.sub.2N(.mu.-X).sub.2M'(X).sub.2 to form a polymeric or copolymeric SSP. New SSPs and intermediate products are formed by such methods.

  3. Methods of forming single source precursors, methods of forming polymeric single source precursors, and single source precursors formed by such methods

    Science.gov (United States)

    Fox, Robert V.; Rodriguez, Rene G.; Pak, Joshua J.; Sun, Chivin; Margulieux, Kelsey R.; Holland, Andrew W.

    2014-09-09

    Methods of forming single source precursors (SSPs) include forming intermediate products having the empirical formula 1/2{L.sub.2N(.mu.-X).sub.2M'X.sub.2}.sub.2, and reacting MER with the intermediate products to form SSPs of the formula L.sub.2N(.mu.-ER).sub.2M'(ER).sub.2, wherein L is a Lewis base, M is a Group IA atom, N is a Group IB atom, M' is a Group IIIB atom, each E is a Group VIB atom, each X is a Group VIIA atom or a nitrate group, and each R group is an alkyl, aryl, vinyl, (per)fluoro alkyl, (per)fluoro aryl, silane, or carbamato group. Methods of forming polymeric or copolymeric SSPs include reacting at least one of HE.sup.1R.sup.1E.sup.1H and MER with one or more substances having the empirical formula L.sub.2N(.mu.-ER).sub.2M'(ER).sub.2 or L.sub.2N(.mu.-X).sub.2M'(X).sub.2 to form a polymeric or copolymeric SSP. New SSPs and intermediate products are formed by such methods.

  4. Improvement of Source Number Estimation Method for Single Channel Signal.

    Directory of Open Access Journals (Sweden)

    Zhi Dong

    Full Text Available Source number estimation methods for single channel signal have been investigated and the improvements for each method are suggested in this work. Firstly, the single channel data is converted to multi-channel form by delay process. Then, algorithms used in the array signal processing, such as Gerschgorin's disk estimation (GDE and minimum description length (MDL, are introduced to estimate the source number of the received signal. The previous results have shown that the MDL based on information theoretic criteria (ITC obtains a superior performance than GDE at low SNR. However it has no ability to handle the signals containing colored noise. On the contrary, the GDE method can eliminate the influence of colored noise. Nevertheless, its performance at low SNR is not satisfactory. In order to solve these problems and contradictions, the work makes remarkable improvements on these two methods on account of the above consideration. A diagonal loading technique is employed to ameliorate the MDL method and a jackknife technique is referenced to optimize the data covariance matrix in order to improve the performance of the GDE method. The results of simulation have illustrated that the performance of original methods have been promoted largely.

  5. Molecular dynamics simulations of single siloxane dendrimers: Molecular structure and intramolecular mobility of terminal groups

    Science.gov (United States)

    Kurbatov, A. O.; Balabaev, N. K.; Mazo, M. A.; Kramarenko, E. Yu.

    2018-01-01

    Molecular dynamics simulations of two types of isolated siloxane dendrimers of various generations (from the 2nd to the 8th) have been performed for temperatures ranging from 150 K to 600 K. The first type of dendrimer molecules has short spacers consisting of a single oxygen atom. In the dendrimers of the second type, spacers are longer and comprised of two oxygen atoms separated by a single silicon atom. A comparative analysis of molecular macroscopic parameters such as the gyration radius and the shape factor as well as atom distributions within dendrimer interior has been performed for varying generation number, temperature, and spacer length. It has been found that the short-spacer dendrimers of the 7th and 8th generations have a stressed central part with elongated bonds and deformed valence angles. Investigation of the time evolution of radial displacements of the terminal Si atoms has shown that a fraction of the Si groups have a reduced mobility. Therefore, rather long time trajectories (of the order of tens of nanoseconds) are required to study dendrimer intramolecular dynamics.

  6. Polymorphic transitions in single crystals: A new molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1981-12-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock.

  7. Polymorphic transitions in single crystals: A new molecular dynamics method

    International Nuclear Information System (INIS)

    Parrinello, M.; Rahman, A.

    1981-01-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock

  8. Diffracted X-ray tracking: new system for single molecular detection with X-rays

    CERN Document Server

    Sasaki, Y C; Adachi, S; Suzuki, Y; Yagi, N

    2001-01-01

    We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements.

  9. Diffracted X-ray tracking: new system for single molecular detection with X-rays

    International Nuclear Information System (INIS)

    Sasaki, Y.C.; Okumura, Y.; Adachi, S.; Suzuki, Y.; Yagi, N.

    2001-01-01

    We propose a new X-ray methodology for direct observations of the behaviors of single molecular units in real time and real space. This new system, which we call Diffracted X-ray Tracking (DXT), monitors the Brownian motions of a single molecular unit by observations of X-ray diffracted spots from a nanocrystal, tightly bound to the individual single molecular unit in bio-systems. DXT does not determine any translational movements, but only orientational movements

  10. Single bunch transfer system for the National Synchrotron Light Source

    International Nuclear Information System (INIS)

    Sheehan, J.; Singh, O.; Rambo, W.

    1983-01-01

    The accelerator system at the National Synchrotron Light Source consists of an S-band 85 MeV linac and three synchrotron rings. The electron beam from the linac is accelerated by the booster ring to 600 MeV and transferred to one of the two storage rings. The smaller of the two rings operates between 300 and 800 MeV emtting photons in the vacuum ultraviolet (VUV), while the larger storage ring operates up to 2.5 GeV and emits photons in the x-ray spectrum. A system is described for loading the storage rings by filling a single-phase space bunch in the booster ring and transferring it at the end of each booster cycle into a selected bucket in one of the storage rings. By controlling the timing of the transfer on successive transfer cycles, many fill patterns may be obtained

  11. Uncharted constellations asterisms, single-source and rebrands

    CERN Document Server

    Barentine, John C

    2016-01-01

    This book compiles an array of interesting constellations that fell by the wayside before the IAU established the modern canon of constellations. That decision left out lesser known ones whose history is nevertheless interesting, but at last author John Barentine is giving them their due. This book is a companion to "The Alternate Constellations", highlighting the more obscure configurations.  The 16 constellations found in this volume fall into one or more of three broad categories: asterims, such as the Big Dipper in Ursa Major; single-sourced constellations introduced on surviving charts by a cartographer perhaps currying the favor of sponsors; and re-brands, new figures meant to displace existing constellations, often for an ideological reason. All of them reveal something unique about the development of humanity's map of the sky. .

  12. Technology development for a single-photon source

    International Nuclear Information System (INIS)

    Enzmann, Roland

    2011-01-01

    The growth of InAs-quantum dots on GaAs-substrate is established concerning low quantum dot densities (ca. 1 pro μm 2 ) and high densities (> 100 pro μm 2 ). However it is not possible to reach the telecommunication wavelength regime around 1.55 μm with InAs-quantum dots on GaAs-substrate. In contrast to this, InP based materials, in general, provide the emission wavelength of 1.55 μm. But the effort to fabricate InAs nanostructures on InP based material system by molecular beam epitaxy does not lead to quantum dots but in general to quantum dashes, which arise in high surface densities. To enable the growth of InAs-quantum dots based on InP several detailed growth studies on to InP-substrate lattice matched matrix material Al x Ga y In 1-x-y As were performed. Thereby the influence of growth rate, growth temperature, InAs coverage and the indium content on the growth surface have been investigated. InAs has been deposited on a thin indiumfree ''sublayer''. The corresponding growth studies showed that a 0.6 nm thick GaSb sublayer is the best choice. Using this technique quantum dots with surface densities from 1 to 150 per μm 2 could be realized. To make low quantum dot densities also on layers containing much aluminium possible, the Al x Ga y In 1-x-y As alloy was grown in the digital alloy growth mode, that is to say the pseudo binaries Al 0,48 In 0,52 As and Ga 0,47 In 0,53 As are grown by the second. By varying the bandgap of the matrix material, viz. by varying the aluminum content, single quantum dots emitting in the range from 1100 nm to 1560 nm could be realized. This way as well the optical O-band (1.3 μm) with an aluminum content of 13% as the optical C-band (1.55 μm) with an aluminum content of 4% could be realized. Another possibility to tailor the emission wavelength of quantum dots are so called stacked dots. In the process two layer of quantum dots, separated with a thin spacer layer, were deposited upon each other. By this way a redshift of

  13. Dose performance and image quality: Dual source CT versus single source CT in cardiac CT angiography

    International Nuclear Information System (INIS)

    Wang Min; Qi Hengtao; Wang Ximing; Wang Tao; Chen, Jiu-Hong; Liu Cheng

    2009-01-01

    Objective: To evaluate dose performance and image quality of 64-slice dual source CT (DSCT) in comparison to 64-slice single source CT (SSCT) in cardiac CT angiography (CTA). Methods: 100 patients examined by DSCT and 60 patients scanned by SSCT were included in this study. Objective indices such as image noise, contrast-to-noise ratio and signal-to-noise ratio were analyzed. Subjective image quality was assessed by two cardiovascular radiologists in consensus using a four-point scale (1 = excellent to 4 = not acceptable). Estimation of effective dose was performed on the basis of dose length product (DLP). Results: At low heart rates ( 0.05), but, at high heart rates (>70 bpm), DSCT provided robust image quality (P 70 bpm), DSCT is able to provide robust diagnostic image quality at doses far below that of SSCT.

  14. Temporal resolution and motion artifacts in single-source and dual-source cardiac CT

    International Nuclear Information System (INIS)

    Schöndube, Harald; Allmendinger, Thomas; Stierstorfer, Karl; Bruder, Herbert; Flohr, Thomas

    2013-01-01

    Purpose: The temporal resolution of a given image in cardiac computed tomography (CT) has so far mostly been determined from the amount of CT data employed for the reconstruction of that image. The purpose of this paper is to examine the applicability of such measures to the newly introduced modality of dual-source CT as well as to methods aiming to provide improved temporal resolution by means of an advanced image reconstruction algorithm. Methods: To provide a solid base for the examinations described in this paper, an extensive review of temporal resolution in conventional single-source CT is given first. Two different measures for assessing temporal resolution with respect to the amount of data involved are introduced, namely, either taking the full width at half maximum of the respective data weighting function (FWHM-TR) or the total width of the weighting function (total TR) as a base of the assessment. Image reconstruction using both a direct fan-beam filtered backprojection with Parker weighting as well as using a parallel-beam rebinning step are considered. The theory of assessing temporal resolution by means of the data involved is then extended to dual-source CT. Finally, three different advanced iterative reconstruction methods that all use the same input data are compared with respect to the resulting motion artifact level. For brevity and simplicity, the examinations are limited to two-dimensional data acquisition and reconstruction. However, all results and conclusions presented in this paper are also directly applicable to both circular and helical cone-beam CT. Results: While the concept of total TR can directly be applied to dual-source CT, the definition of the FWHM of a weighting function needs to be slightly extended to be applicable to this modality. The three different advanced iterative reconstruction methods examined in this paper result in significantly different images with respect to their motion artifact level, despite exactly the same

  15. Temporal resolution and motion artifacts in single-source and dual-source cardiac CT.

    Science.gov (United States)

    Schöndube, Harald; Allmendinger, Thomas; Stierstorfer, Karl; Bruder, Herbert; Flohr, Thomas

    2013-03-01

    The temporal resolution of a given image in cardiac computed tomography (CT) has so far mostly been determined from the amount of CT data employed for the reconstruction of that image. The purpose of this paper is to examine the applicability of such measures to the newly introduced modality of dual-source CT as well as to methods aiming to provide improved temporal resolution by means of an advanced image reconstruction algorithm. To provide a solid base for the examinations described in this paper, an extensive review of temporal resolution in conventional single-source CT is given first. Two different measures for assessing temporal resolution with respect to the amount of data involved are introduced, namely, either taking the full width at half maximum of the respective data weighting function (FWHM-TR) or the total width of the weighting function (total TR) as a base of the assessment. Image reconstruction using both a direct fan-beam filtered backprojection with Parker weighting as well as using a parallel-beam rebinning step are considered. The theory of assessing temporal resolution by means of the data involved is then extended to dual-source CT. Finally, three different advanced iterative reconstruction methods that all use the same input data are compared with respect to the resulting motion artifact level. For brevity and simplicity, the examinations are limited to two-dimensional data acquisition and reconstruction. However, all results and conclusions presented in this paper are also directly applicable to both circular and helical cone-beam CT. While the concept of total TR can directly be applied to dual-source CT, the definition of the FWHM of a weighting function needs to be slightly extended to be applicable to this modality. The three different advanced iterative reconstruction methods examined in this paper result in significantly different images with respect to their motion artifact level, despite exactly the same amount of data being used

  16. Practical Application of Aptamer-Based Biosensors in Detection of Low Molecular Weight Pollutants in Water Sources

    Directory of Open Access Journals (Sweden)

    Wei Zhang

    2018-02-01

    Full Text Available Water pollution has become one of the leading causes of human health problems. Low molecular weight pollutants, even at trace concentrations in water sources, have aroused global attention due to their toxicity after long-time exposure. There is an increased demand for appropriate methods to detect these pollutants in aquatic systems. Aptamers, single-stranded DNA or RNA, have high affinity and specificity to each of their target molecule, similar to antigen-antibody interaction. Aptamers can be selected using a method called Systematic Evolution of Ligands by EXponential enrichment (SELEX. Recent years we have witnessed great progress in developing aptamer selection and aptamer-based sensors for low molecular weight pollutants in water sources, such as tap water, seawater, lake water, river water, as well as wastewater and its effluents. This review provides an overview of aptamer-based methods as a novel approach for detecting low molecular weight pollutants in water sources.

  17. Single-Photon Source for Quantum Information Based on Single Dye Molecule Fluorescence in Liquid Crystal Host

    International Nuclear Information System (INIS)

    Lukishova, S.G.; Knox, R.P.; Freivald, P.; McNamara, A.; Boyd, R.W.; Stroud, Jr. C.R.; Schmid, A.W.; Marshall, K.L.

    2006-01-01

    This paper describes a new application for liquid crystals: quantum information technology. A deterministically polarized single-photon source that efficiently produces photons exhibiting antibunching is a pivotal hardware element in absolutely secure quantum communication. Planar-aligned nematic liquid crystal hosts deterministically align the single dye molecules which produce deterministically polarized single (antibunched) photons. In addition, 1-D photonic bandgap cholesteric liquid crystals will increase single-photon source efficiency. The experiments and challenges in the observation of deterministically polarized fluorescence from single dye molecules in planar-aligned glassy nematic-liquid-crystal oligomer as well as photon antibunching in glassy cholesteric oligomer are described for the first time

  18. Molecular evolution in court: analysis of a large hepatitis C virus outbreak from an evolving source.

    Science.gov (United States)

    González-Candelas, Fernando; Bracho, María Alma; Wróbel, Borys; Moya, Andrés

    2013-07-19

    Molecular phylogenetic analyses are used increasingly in the epidemiological investigation of outbreaks and transmission cases involving rapidly evolving RNA viruses. Here, we present the results of such an analysis that contributed to the conviction of an anesthetist as being responsible for the infection of 275 of his patients with hepatitis C virus. We obtained sequences of the NS5B and E1-E2 regions in the viral genome for 322 patients suspected to have been infected by the doctor, and for 44 local, unrelated controls. The analysis of 4,184 cloned sequences of the E1-E2 region allowed us to exclude 47 patients from the outbreak. A subset of patients had known dates of infection. We used these data to calibrate a relaxed molecular clock and to determine a rough estimate of the time of infection for each patient. A similar analysis led to an estimate for the time of infection of the source. The date turned out to be 10 years before the detection of the outbreak. The number of patients infected was small at first, but it increased substantially in the months before the detection of the outbreak. We have developed a procedure to integrate molecular phylogenetic reconstructions of rapidly evolving viral populations into a forensic setting adequate for molecular epidemiological analysis of outbreaks and transmission events. We applied this procedure to a large outbreak of hepatitis C virus caused by a single source and the results obtained played a key role in the trial that led to the conviction of the suspected source.

  19. High brightness fiber laser pump sources based on single emitters and multiple single emitters

    Science.gov (United States)

    Scheller, Torsten; Wagner, Lars; Wolf, Jürgen; Bonati, Guido; Dörfel, Falk; Gabler, Thomas

    2008-02-01

    Driven by the potential of the fiber laser market, the development of high brightness pump sources has been pushed during the last years. The main approaches to reach the targets of this market had been the direct coupling of single emitters (SE) on the one hand and the beam shaping of bars and stacks on the other hand, which often causes higher cost per watt. Meanwhile the power of single emitters with 100μm emitter size for direct coupling increased dramatically, which also pushed a new generation of wide stripe emitters or multi emitters (ME) of up to 1000μm emitter size respectively "minibars" with apertures of 3 to 5mm. The advantage of this emitter type compared to traditional bars is it's scalability to power levels of 40W to 60W combined with a small aperture which gives advantages when coupling into a fiber. We show concepts using this multiple single emitters for fiber coupled systems of 25W up to 40W out of a 100μm fiber NA 0.22 with a reasonable optical efficiency. Taking into account a further efficiency optimization and an increase in power of these devices in the near future, the EUR/W ratio pushed by the fiber laser manufacturer will further decrease. Results will be shown as well for higher power pump sources. Additional state of the art tapered fiber bundles for photonic crystal fibers are used to combine 7 (19) pump sources to output powers of 100W (370W) out of a 130μm (250μm) fiber NA 0.6 with nominal 20W per port. Improving those TFB's in the near future and utilizing 40W per pump leg, an output power of even 750W out of 250μm fiber NA 0.6 will be possible. Combined Counter- and Co-Propagated pumping of the fiber will then lead to the first 1kW fiber laser oscillator.

  20. Photoacoustic thermal flowmetry with a single light source

    Science.gov (United States)

    Liu, Wei; Lan, Bangxin; Hu, Leo; Chen, Ruimin; Zhou, Qifa; Yao, Junjie

    2017-09-01

    We report a photoacoustic thermal flowmetry based on optical-resolution photoacoustic microscopy (OR-PAM) using a single laser source for both thermal tagging and photoacoustic excitation. When an optically absorbing medium is flowing across the optical focal zone of OR-PAM, a small volume of the medium within the optical focus is repeatedly illuminated and heated by a train of laser pulses with a high repetition rate. The average temperature of the heated volume at each laser pulse is indicated by the photoacoustic signal excited by the same laser pulse due to the well-established linear relationship between the Grueneisen coefficient and the local temperature. The thermal dynamics of the heated medium volume, which are closely related to the flow speed, can therefore be measured from the time course of the detected photoacoustic signals. Here, we have developed a lumped mathematical model to describe the time course of the photoacoustic signals as a function of the medium's flow speed. We conclude that the rising time constant of the photoacoustic signals is linearly dependent on the flow speed. Thus, the flow speed can be quantified by fitting the measured photoacoustic signals using the derived mathematical model. We first performed proof-of-concept experiments using defibrinated bovine blood flowing in a plastic tube. The experiment results have demonstrated that the proposed method has high accuracy (˜±6%) and a wide range of measurable flow speeds. We further validated the method by measuring the blood flow speeds of the microvasculature in a mouse ear in vivo.

  1. Molecular marker analysis as a guide to the sources of fine organic aerosols

    International Nuclear Information System (INIS)

    Rogge, W.F.; Cass, G.R.; Hildemann, L.M.; Simoneit, B.R.T.

    1992-07-01

    The molecular composition of fine particulate (D p ≥ 2 μm) organic aerosol emissions from the most important sources in the Los Angeles area has been determined. Likewise, ambient concentration patterns for more than 80 single organic compounds have been measured at four urban sites (West Los Angeles, Downtown Los Angeles, Pasadena, and Rubidoux) and at one remote offshore site (San Nicolas Island). It has been found that cholesterol serves as a marker compound for emissions from charbroilers and other meat cooking operations. Vehicular exhaust being emitted from diesel and gasoline powered engines can be traced in the Los Angeles atmosphere using fossil petroleum marker compounds such as steranes and pentacyclic triterpanes (e.g., hopanes). Biogenic fine particle emission sources such as plant fragments abraded from leaf surfaces by wind and weather can be traced in the urban atmosphere. Using distinct and specific source organic tracers or assemblages of organic compounds characteristic for the sources considered it is possible to estimate the influence of different source types at any urban site where atmospheric data are available

  2. Molecular electronics: the single molecule switch and transistor

    NARCIS (Netherlands)

    Sotthewes, Kai; Geskin, Victor; Heimbuch, Rene; Kumar, Avijit; Zandvliet, Henricus J.W.

    2014-01-01

    In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected

  3. A tight-binding model of the transmission probability through a molecular junction; a single molecule vs. a molecular layer

    International Nuclear Information System (INIS)

    Landau, A.; Nitzan, A.

    2006-01-01

    Full Text: Molecular electronics, one of the major fields of the current effort in nano-science, may be de ed as the study of electronic behaviors, devices and applications that depend on the properties of matter at the molecular scale. If the miniaturization trend of microelectronic devices is to continue, elements such as transistors and contacts will soon shrink to single molecules. The promise of these new technological breakthroughs has been major driving force in this ld. Moreover, the consideration of molecular systems as electronic devices has raised new fundamental questions. In particular, while traditional quantum chemistry deals with electronically closed systems, we now face problems involving molecular systems that are open to their electronic environment, moreover, function in far from equilibrium situations. A generic molecular junction is made of two electrodes connected by a molecular spacer that takes the form of a molecular chain of varying length or a molecular layer of varying thickness. We use a simple nearest-neighbors tight-biding model with the non-equilibrium Green's function (NEGF) method to investigate and compare between a self-assembled monolayer (SAM), finite molecular layer (FML), and single molecule (SM) chemisorption to a surface of a metal substrate. In addition, we examine the difference in the transmission probability through a SAM, FML and SM sandwiched between two metallic electrodes. Dramatic differences are observed between the SM, FML and SAM density of electronic states and transmission functions. In addition, we analyze the effects of changing different physical parameters such as molecule-substrate interaction, molecule-molecule interactions, etc; interesting effects that pertain to the conduction properties of single molecules and molecular layers are observed. Intriguing results are attained when we investigate the commensurability of the SAM with the metallic surface

  4. Simultaneous optical coherence tomography and lipofuscin autofluorescence imaging of the retina with a single broadband light source at 480nm

    OpenAIRE

    Jiang, Minshan; Liu, Tan; Liu, Xiaojing; Jiao, Shuliang

    2014-01-01

    We accomplished spectral domain optical coherence tomography and auto-fluorescence microscopy for imaging the retina with a single broadband light source centered at 480 nm. This technique is able to provide simultaneous structural imaging and lipofuscin molecular contrast of the retina. Since the two imaging modalities are provided by the same group of photons, their images are intrinsically registered. To test the capabilities of the technique we periodically imaged the retinas of the same ...

  5. Ultrafast electrical control of a resonantly driven single photon source

    International Nuclear Information System (INIS)

    Cao, Y.; Bennett, A. J.; Ellis, D. J. P.; Shields, A. J.; Farrer, I.; Ritchie, D. A.

    2014-01-01

    We demonstrate generation of a pulsed stream of electrically triggered single photons in resonance fluorescence, by applying high frequency electrical pulses to a single quantum dot in a p-i-n diode under resonant laser excitation. Single photon emission was verified, with the probability of multiple photon emission reduced to 2.8%. We show that despite the presence of charge noise in the emission spectrum of the dot, resonant excitation acts as a “filter” to generate narrow bandwidth photons

  6. Conformational Smear Characterization and Binning of Single-Molecule Conductance Measurements for Enhanced Molecular Recognition.

    Science.gov (United States)

    Korshoj, Lee E; Afsari, Sepideh; Chatterjee, Anushree; Nagpal, Prashant

    2017-11-01

    Electronic conduction or charge transport through single molecules depends primarily on molecular structure and anchoring groups and forms the basis for a wide range of studies from molecular electronics to DNA sequencing. Several high-throughput nanoelectronic methods such as mechanical break junctions, nanopores, conductive atomic force microscopy, scanning tunneling break junctions, and static nanoscale electrodes are often used for measuring single-molecule conductance. In these measurements, "smearing" due to conformational changes and other entropic factors leads to large variances in the observed molecular conductance, especially in individual measurements. Here, we show a method for characterizing smear in single-molecule conductance measurements and demonstrate how binning measurements according to smear can significantly enhance the use of individual conductance measurements for molecular recognition. Using quantum point contact measurements on single nucleotides within DNA macromolecules, we demonstrate that the distance over which molecular junctions are maintained is a measure of smear, and the resulting variance in unbiased single measurements depends on this smear parameter. Our ability to identify individual DNA nucleotides at 20× coverage increases from 81.3% accuracy without smear analysis to 93.9% with smear characterization and binning (SCRIB). Furthermore, merely 7 conductance measurements (7× coverage) are needed to achieve 97.8% accuracy for DNA nucleotide recognition when only low molecular smear measurements are used, which represents a significant improvement over contemporary sequencing methods. These results have important implications in a broad range of molecular electronics applications from designing robust molecular switches to nanoelectronic DNA sequencing.

  7. Sensitivity of molecular marker-based CMB models to biomass burning source profiles

    Science.gov (United States)

    Sheesley, Rebecca J.; Schauer, James J.; Zheng, Mei; Wang, Bo

    To assess the contribution of sources to fine particulate organic carbon (OC) at four sites in North Carolina, USA, a molecular marker chemical mass balance model (MM-CMB) was used to quantify seasonal contributions for 2 years. The biomass burning contribution at these sites was found to be 30-50% of the annual OC concentration. In order to provide a better understanding of the uncertainty in MM-CMB model results, a biomass burning profile sensitivity test was performed on the 18 seasonal composites. The results using reconstructed emission profiles based on published profiles compared well, while model results using a single source test profile resulted in biomass burning contributions that were more variable. The biomass burning contribution calculated using an average regional profile of fireplace emissions from five southeastern tree species also compared well with an average profile of open burning of pine-dominated forest from Georgia. The standard deviation of the results using different source profiles was a little over 30% of the annual average biomass contributions. Because the biomass burning contribution accounted for 30-50% of the OC at these sites, the choice of profile also impacted the motor vehicle source attribution due to the common emission of elemental carbon and polycyclic aromatic hydrocarbons. The total mobile organic carbon contribution was less effected by the biomass burning profile than the relative contributions from gasoline and diesel engines.

  8. Investigation on a Novel Discontinuous Pulse-Width Modulation Algorithm for Single-phase Voltage Source Rectifier

    DEFF Research Database (Denmark)

    Qu, Hao; Yang, Xijun; Guo, Yougui

    2014-01-01

    Single-phase voltage source converter (VSC) is an important power electronic converter (PEC), including single-phase voltage source inverter (VSI), single-phase voltage source rectifier (VSR), single-phase active power filter (APF) and single-phase grid-connection inverter (GCI). Single-phase VSC...

  9. Nanofabrication of Plasmonic Circuits Containing Single Photon Sources

    DEFF Research Database (Denmark)

    Siampour, Hamidreza; Kumar, Shailesh; Bozhevolnyi, Sergey I.

    2017-01-01

    Nanofabrication of photonic components based on dielectric loaded surface plasmon polariton waveguides (DLSPPWs) excited by single nitrogen vacancy (NV) centers in nanodiamonds is demonstrated. DLSPPW circuits are built around NV containing nanodiamonds, which are certified to be single-photon...... emitters, using electron-beam lithography of hydrogen silsesquioxane (HSQ) resist on silver-coated silicon substrates. A propagation length of 20 ± 5 μm for the NV single-photon emission is measured with DLSPPWs. A 5-fold enhancement in the total decay rate, and 58% coupling efficiency to the DLSPPW mode...

  10. Molecular tips for scanning tunneling microscopy: intermolecular electron tunneling for single-molecule recognition and electronics.

    Science.gov (United States)

    Nishino, Tomoaki

    2014-01-01

    This paper reviews the development of molecular tips for scanning tunneling microscopy (STM). Molecular tips offer many advantages: first is their ability to perform chemically selective imaging because of chemical interactions between the sample and the molecular tip, thus improving a major drawback of conventional STM. Rational design of the molecular tip allows sophisticated chemical recognition; e.g., chiral recognition and selective visualization of atomic defects in carbon nanotubes. Another advantage is that they provide a unique method to quantify electron transfer between single molecules. Understanding such electron transfer is mandatory for the realization of molecular electronics.

  11. Manipulation and control of a single molecular rotor on Au (111) surface

    International Nuclear Information System (INIS)

    Hai-Gang, Zhang; Jin-Hai, Mao; Qi, Liu; Nan, Jiang; Hai-Tao, Zhou; Hai-Ming, Guo; Dong-Xia, Shi; Hong-Jun, Gao

    2010-01-01

    Three different methods are used to manipulate and control phthalocyanine based single molecular rotors on Au (111) surface: (1) changing the molecular structure to alter the rotation potential; (2) using the tunnelling current of the scanning tunnelling microscope (STM) to change the thermal equilibrium of the molecular rotor; (3) artificial manipulation of the molecular rotor to switch the rotation on or off by an STM tip. Furthermore, a molecular 'gear wheel' is successfully achieved with two neighbouring molecules. (cross-disciplinary physics and related areas of science and technology)

  12. Comparison of single-ion molecular dynamics in common solvents

    Science.gov (United States)

    Muralidharan, A.; Pratt, L. R.; Chaudhari, M. I.; Rempe, S. B.

    2018-06-01

    Laying a basis for molecularly specific theory for the mobilities of ions in solutions of practical interest, we report a broad survey of velocity autocorrelation functions (VACFs) of Li+ and PF6- ions in water, ethylene carbonate, propylene carbonate, and acetonitrile solutions. We extract the memory function, γ(t), which characterizes the random forces governing the mobilities of ions. We provide comparisons controlling for the effects of electrolyte concentration and ion-pairing, van der Waals attractive interactions, and solvent molecular characteristics. For the heavier ion (PF6-), velocity relaxations are all similar: negative tail relaxations for the VACF and a clear second relaxation for γ (t ), observed previously also for other molecular ions and with n-pentanol as the solvent. For the light Li+ ion, short time-scale oscillatory behavior masks simple, longer time-scale relaxation of γ (t ). But the corresponding analysis of the solventberg Li+(H2O)4 does conform to the standard picture set by all the PF6- results.

  13. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim

    2016-01-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard

  14. Identifying Molecular Targets For PTSD Treatment Using Single Prolonged Stress

    Science.gov (United States)

    2014-10-01

    Post - traumatic stress disorder ( PTSD ) is a chronic, debilitating psychiatric disorder that can...SPS animals. Post - traumatic stress disorder ( PTSD ) is associated with neurocognitive impairments that have been attributed to functional deficits...and resilience. 2. KEYWORDS Post - traumatic stress disorder , Single Prolonged Stress , Neurobiological Mechanisms 5 3. ACCOMPLISHMENTS

  15. Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

    OpenAIRE

    Hyeon, Changbong

    2010-01-01

    In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

  16. Electrochemistry of single molecules and biomolecules, molecular scale nanostructures, and low-dimensional systems

    DEFF Research Database (Denmark)

    Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Zinkicheva, Tamara T.

    2018-01-01

    Electrochemistry at ultra-small scales, where even the single molecule or biomolecule can be characterized and manipulated, is on the way to a consolidated status. At the same time molecular electrochemistry is expanding into other areas of sophisticated nano- and molecular scale systems includin...... molecular scale metal and semiconductor nanoparticles (NPs) and other nanostructures, e.g. nanotubes, “nanoflowers” etc.. The new structures offer both new electronic properties and highly confined novel charge transfer environments....

  17. Group III nitride-arsenide long wavelength lasers grown by elemental source molecular beam epitaxy

    International Nuclear Information System (INIS)

    Coldren, C. W.; Spruytte, S. G.; Harris, J. S.; Larson, M. C.

    2000-01-01

    Elemental source molecular beam epitaxy was used to grow InGaNAs quantum well samples, edge-emitting laser diodes, and vertical-cavity laser diodes on GaAs substrates. The quantum well samples exhibited an as-grown room temperature photoluminescence peak beyond 1310 nm which both increased dramatically in intensity and blueshifted with thermal annealing. Edge emitting laser diodes had threshold current densities as low as 450 and 750 A/cm 2 for single and triple quantum well active regions, respectively, and emitted light at 1220-1250 nm. The vertical cavity laser diodes emitted light at 1200 nm and had threshold current densities of 3 kA/cm 2 and efficiencies of 0.066 W/A. (c) 2000 American Vacuum Society

  18. Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals

    International Nuclear Information System (INIS)

    Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S.; Ravelo, Ramon

    2000-01-01

    We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the direction form intersecting stacking faults by slippage along {111} close-packed planes at sufficiently high shock strengths. We find even more interesting behavior of shocks propagating in other low-index directions: for the case, an elastic precursor separates the shock front from the slipped (plastic) region. Shock waves along the direction generate a leading solitary wave train, followed (at sufficiently high shock speeds) by an elastic precursor, and then a region of complex plastic deformation. (c) 2000 The American Physical Society

  19. Deterministic and Storable Single-Photon Source Based on a Quantum Memory

    International Nuclear Information System (INIS)

    Chen Shuai; Chen, Y.-A.; Strassel, Thorsten; Zhao Bo; Yuan Zhensheng; Pan Jianwei; Schmiedmayer, Joerg

    2006-01-01

    A single-photon source is realized with a cold atomic ensemble ( 87 Rb atoms). A single excitation, written in an atomic quantum memory by Raman scattering of a laser pulse, is retrieved deterministically as a single photon at a predetermined time. It is shown that the production rate of single photons can be enhanced considerably by a feedback circuit while the single-photon quality is conserved. Such a single-photon source is well suited for future large-scale realization of quantum communication and linear optical quantum computation

  20. Multisample matrix-assisted laser desorption source for molecular beams of neutral peptides

    International Nuclear Information System (INIS)

    Lupulescu, C.; Abd El Rahim, M.; Antoine, R.; Barbaire, M.; Broyer, M.; Dagany, X.; Maurelli, J.; Rayane, D.; Dugourd, Ph.

    2006-01-01

    We developed and tested a multisample laser desorption source for producing stable molecular beams of neutral peptides. Our apparatus is based on matrix-assisted laser desorption technique. The source consists of 96 different targets which may be scanned by a software control procedure. Examples of molecular beams of neutral peptides are presented, as well as the influence of the different source parameters on the jet

  1. Deterministic Single-Photon Source for Distributed Quantum Networking

    International Nuclear Information System (INIS)

    Kuhn, Axel; Hennrich, Markus; Rempe, Gerhard

    2002-01-01

    A sequence of single photons is emitted on demand from a single three-level atom strongly coupled to a high-finesse optical cavity. The photons are generated by an adiabatically driven stimulated Raman transition between two atomic ground states, with the vacuum field of the cavity stimulating one branch of the transition, and laser pulses deterministically driving the other branch. This process is unitary and therefore intrinsically reversible, which is essential for quantum communication and networking, and the photons should be appropriate for all-optical quantum information processing

  2. Photonic wires and trumpets for ultrabright single photon sources

    DEFF Research Database (Denmark)

    Gérard, Jean-Michel; Claudon, Julien; Bleuse, Joël

    2013-01-01

    as to tailor their radiation diagram in the far-field. We highlight the novel “photonic trumpet” geometry, which provides a clean Gaussian beam, and is much less sensitive to fabrication imperfections than the more common needle-like taper geometry. S4Ps based on a single QD in a PW with integrated bottom...

  3. Spatially single-mode source of bright squeezed vacuum

    OpenAIRE

    Pérez, A. M.; Iskhakov, T. Sh.; Sharapova, P.; Lemieux, S.; Tikhonova, O. V.; Chekhova, M. V.; Leuchs, G.

    2014-01-01

    Bright squeezed vacuum, a macroscopic nonclassical state of light, can be obtained at the output of a strongly pumped non-seeded traveling-wave optical parametric amplifier (OPA). By constructing the OPA of two consecutive crystals separated by a large distance we make the squeezed vacuum spatially single-mode without a significant decrease in the brightness or squeezing.

  4. Molecular beam epitaxy of single crystal colossal magnetoresistive material

    International Nuclear Information System (INIS)

    Eckstein, J.N.; Bozovic, I.; Rzchowski, M.; O'Donnell, J.; Hinaus, B.; Onellion, M.

    1996-01-01

    The authors have grown films of (LaSr)MnO 3 (LSMO) and (LaCa)MnO 3 (LCMO) using atomic layer-by-layer molecular beam epitaxy (ALL-MBE). Depending on growth conditions, substrate lattice constant and the exact cation stoichiometry, the films are either pseudomorphic or strain relaxed. The pseudomorphic films show atomically flat surfaces, with a unit cell terrace structure that is a replica of that observed on the slightly vicinal substrates, while the strain relaxed films show bumpy surfaces correlated with a dislocation network. All films show tetragonal structure and exhibit anisotropic magnetoresistance, with a low field response, (1/R)(dR/dH) as large as 5 T -1

  5. Novel single photon sources for new generation of quantum communications

    Science.gov (United States)

    2017-06-13

    including the time for reviewing instructions, searching existing    data sources, gathering and maintaining the data needed, and completing and...and enable absolutely secured information transfer between distant nodes – key prerequisite for quantum cryptography. Experiment : the experimental... format showing authors, title, journal, issue, pages, and date, for each category list the following: a) papers published in peer-reviewed journals

  6. 76 FR 31964 - Announcement of the Award of Nine Single-Source Expansion Supplement Grants

    Science.gov (United States)

    2011-06-02

    ... the Award of Nine Single-Source Expansion Supplement Grants AGENCY: Office of Refugee Resettlement, ACF, HHS. ACTION: Notice to announce the award of nine single-source expansion supplement grants to.... Maintaining Funding Level of Matching Grant Program (a) Maintaining Funding Level--Subject to the availability...

  7. Molecular characterization of bacteriophages for microbial source tracking in Korea.

    Science.gov (United States)

    Lee, Jung Eun; Lim, Mi Young; Kim, Sei Yoon; Lee, Sunghee; Lee, Heetae; Oh, Hyun-Myung; Hur, Hor-Gil; Ko, Gwangpyo

    2009-11-01

    We investigated coliphages from various fecal sources, including humans and animals, for microbial source tracking in South Korea. Both somatic and F+-specific coliphages were isolated from 43 fecal samples from farms, wild animal habitats, and human wastewater plants. Somatic coliphages were more prevalent and abundant than F+ coliphages in all of the tested fecal samples. We further characterized 311 F+ coliphage isolates using RNase sensitivity assays, PCR and reverse transcription-PCR, and nucleic acid sequencing. Phylogenetic analyses were performed based on the partial nucleic acid sequences of 311 F+ coliphages from various sources. F+ RNA coliphages were most prevalent among geese (95%) and were least prevalent in cows (5%). Among the genogroups of F+ RNA coliphages, most F+ coliphages isolated from animal fecal sources belonged to either group I or group IV, and most from human wastewater sources were in group II or III. Some of the group I coliphages were present in both human and animal source samples. F+ RNA coliphages isolated from various sources were divided into two main clusters. All F+ RNA coliphages isolated from human wastewater were grouped with Qbeta-like phages, while phages isolated from most animal sources were grouped with MS2-like phages. UniFrac significance statistical analyses revealed significant differences between human and animal bacteriophages. In the principal coordinate analysis (PCoA), F+ RNA coliphages isolated from human waste were distinctively separate from those isolated from other animal sources. However, F+ DNA coliphages were not significantly different or separate in the PCoA. These results demonstrate that proper analysis of F+ RNA coliphages can effectively distinguish fecal sources.

  8. MOCVD of hexagonal boron nitride thin films on Si(100) using new single source precursors

    CERN Document Server

    Boo, J H; Yu, K S; Kim, Y S; Kim, Y S; Park, J T

    1999-01-01

    We have been carried out the growth of hexagonal boron nitride (h-BN) thin films on Si(100) substrates by low pressure metal-organic chemical vapor deposition (LPMOCVD) method using triethylborane tert-butylamine complex (TEBTBA), Et sub 3 BNH sub 2 ( sup t Bu), and triethylborane isopropylamine complex (TEBIPA), Et sub 3 BNH sub 2 ( sup t Pr) as a new single molecular precursors in the temperature range of 850 approx 1000 .deg. C. polycrystalline, crack-free h-BN film was successfully grown on Si(100) substrate at 850 .deg. C using TEBTBA. This growth temperature is very lower than those in previous reports. Carbon-rich polycrystalline BN was also obtained at 900 .deg. C from TEBIPA. With increasing substrate temperature to 1000 .deg. C, however, BC sub 4 N-like species are strongly formed along with h-BN and the BN films obtained from both TEBTBA and TEBIPA but almost polycrystalline. To our best knowledge, this is the first report of the growth of h-BN films formed with the new single source precursors of ...

  9. A singly charged ion source for radioactive 11C ion acceleration

    Science.gov (United States)

    Katagiri, K.; Noda, A.; Nagatsu, K.; Nakao, M.; Hojo, S.; Muramatsu, M.; Suzuki, K.; Wakui, T.; Noda, K.

    2016-02-01

    A new singly charged ion source using electron impact ionization has been developed to realize an isotope separation on-line system for simultaneous positron emission tomography imaging and heavy-ion cancer therapy using radioactive 11C ion beams. Low-energy electron beams are used in the electron impact ion source to produce singly charged ions. Ionization efficiency was calculated in order to decide the geometric parameters of the ion source and to determine the required electron emission current for obtaining high ionization efficiency. Based on these considerations, the singly charged ion source was designed and fabricated. In testing, the fabricated ion source was found to have favorable performance as a singly charged ion source.

  10. Microcavity single virus detection and sizing with molecular sensitivity

    Science.gov (United States)

    Dantham, V. R.; Holler, S.; Kolchenko, V.; Wan, Z.; Arnold, S.

    2013-02-01

    We report the label-free detection and sizing of the smallest individual RNA virus, MS2 by a spherical microcavity. Mass of this virus is ~6 ag and produces a theoretical resonance shift ~0.25 fm upon adsorbing an individual virus at the equator of the bare microcavity, which is well below the r.m.s background noise of 2 fm. However, detection was accomplished with ease (S/N = 8, Q = 4x105) using a single dipole stimulated plasmonic-nanoshell as a microcavity wavelength shift enhancer. Analytical expressions based on the "reactive sensing principle" are developed to extract the radius of the virus from the measured signals. Estimated limit of detection for these experiments was ~0.4 ag or 240 kDa below the size of all known viruses, largest globular and elongated proteins [Phosphofructokinase (345 kDa) and Fibrinogen (390 kDa), respectively].

  11. Single-cell technologies in molecular marine studies

    KAUST Repository

    Kodzius, Rimantas

    2015-01-24

    Middle Eastern countries are experiencing a renaissance, with heavy investment in both in infrastructure and science. King Abdullah University of Science and Technology (KAUST) is a new and modern university in Saudi Arabia. At the Computational Bioscience Research Center (CBRC) we are working on exploring the Red Sea and beyond, collaborating with Japanese and other research centers. We are using the environment to collect and analyze the microorganisms present. The platform being established at CBRC allows to process samples in a pipeline. The pipeline components consist of sample collection, processing and sequencing, following the in silico analysis, determining the gene functions, identifying the organisms. The genomes of microorganisms of interest are targeted modified by genome editing technology such as CRISPR and desired properties are selected by single cell instrumentation. The final output is to identify valuable microorganisms with production of bio-energy, nutrients, the food and fine chemicals.

  12. Effect of Chain Conformation on the Single-Molecule Melting Force in Polymer Single Crystals: Steered Molecular Dynamics Simulations Study.

    Science.gov (United States)

    Feng, Wei; Wang, Zhigang; Zhang, Wenke

    2017-02-28

    Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.

  13. Northeast Hub Partners and United Salts Single Source Determination

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  14. Single Source Determination for Coors/TriGen

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  15. Single-source gamma radiation procedures for improved calibration and measurements in porous media

    International Nuclear Information System (INIS)

    Oostrom, M.; Hofstee, C.; Dane, H.; Lenhard, R.J.

    1998-01-01

    When dual-energy gamma radiation systems are employed for measurements in porous media, count rates from both sources are often used to compute parameter values. However, for several applications, the count rates of just one source are insufficient. These applications include the determination of volumetric liquid content values in two-liquid systems and salt concentration values in water-saturated porous media. Single-energy gamma radiation procedures for three applications are described in this paper. Through an error analysis, single-source procedures are shown to reduce the probable error in the determinations considerably. Example calculations and simple column experiments were conducted for each application to compare the performance of the new single-source and standard dual-source methods. In all cases, the single-source methods provided more reliable data than the traditional dual-source methods. In addition, a single-source calibration procedure is proposed to determine incident count rates indirectly. This procedure, which requires packing under saturated conditions, can be used in all single- and dual-source applications and yields accurate porosity and dry bulk density values

  16. Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.

    Science.gov (United States)

    Stock, Philipp; Utzig, Thomas; Valtiner, Markus

    2017-02-08

    In all realms of soft matter research a fundamental understanding of the structure/property relationships based on molecular interactions is crucial for developing a framework for the targeted design of soft materials. However, a molecular picture is often difficult to ascertain and yet essential for understanding the many different competing interactions at play, including entropies and cooperativities, hydration effects, and the enormous design space of soft matter. Here, we characterized for the first time the interaction between single hydrophobic molecules quantitatively using atomic force microscopy, and demonstrated that single molecular hydrophobic interaction free energies are dominated by the area of the smallest interacting hydrophobe. The interaction free energy amounts to 3-4 kT per hydrophobic unit. Also, we find that the transition state of the hydrophobic interactions is located at 3 Å with respect to the ground state, based on Bell-Evans theory. Our results provide a new path for understanding the nature of hydrophobic interactions at the single molecular scale. Our approach enables us to systematically vary hydrophobic and any other interaction type by utilizing peptide chemistry providing a strategic advancement to unravel molecular surface and soft matter interactions at the single molecular scale.

  17. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources.

    Science.gov (United States)

    Tang, M X; Zhang, Y Y; E, J C; Luo, S N

    2018-05-01

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic-plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

  18. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources

    Energy Technology Data Exchange (ETDEWEB)

    Tang, M. X.; Zhang, Y. Y.; E, J. C.; Luo, S. N.

    2018-04-24

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

  19. Nested Penning Trap as a Source of Singly Charged Ions

    International Nuclear Information System (INIS)

    Ordonez, C.A.

    2003-01-01

    In the work reported, the possibility of using a nested Penning trap as a high purity source of low-charge-state ions is studied. For the configuration considered, a relatively dense ion plasma is confined by a three-dimensional electric potential well. The three-dimensional well is produced by the electric field generated by both the trap electrodes and a trapped electron plasma. The ion and electron plasmas are each considered to have Maxwellian velocity distributions. However, it is shown that the electron plasma must have a temperature that is higher than that of the ion plasma when the ions have low charge states. The work reported includes a self-consistent prediction of a possible plasma equilibrium

  20. Molecular Epidemiologic Source Tracking of Orally Transmitted Chagas Disease, Venezuela

    Science.gov (United States)

    Segovia, Maikell; Martínez, Clara E.; Messenger, Louisa A.; Nessi, Anaibeth; Londoño, Juan C.; Espinosa, Raul; Martínez, Cinda; Alfredo, Mijares; Bonfante-Cabarcas, Rafael; Lewis, Michael D.; de Noya, Belkisyolé A.; Miles, Michael A.; Llewellyn, Martin S.

    2013-01-01

    Oral outbreaks of Chagas disease are increasingly reported in Latin America. The transitory presence of Trypanosoma cruzi parasites within contaminated foods, and the rapid consumption of those foods, precludes precise identification of outbreak origin. We report source attribution for 2 peri-urban oral outbreaks of Chagas disease in Venezuela via high resolution microsatellite typing. PMID:23768982

  1. Dye shift: a neglected source of genotyping error in molecular ecology.

    Science.gov (United States)

    Sutton, Jolene T; Robertson, Bruce C; Jamieson, Ian G

    2011-05-01

    Molecular ecologists must be vigilant in detecting and accounting for genotyping error, yet potential errors stemming from dye-induced mobility shift (dye shift) may be frequently neglected and largely unknown to researchers who employ 3-primer systems with automated genotyping. When left uncorrected, dye shift can lead to mis-scoring alleles and even to falsely calling new alleles if different dyes are used to genotype the same locus in subsequent reactions. When we used four different fluorophore labels from a standard dye set to genotype the same set of loci, differences in the resulting size estimates for a single allele ranged from 2.07 bp to 3.68 bp. The strongest effects were associated with the fluorophore PET, and relative degree of dye shift was inversely related to locus size. We found little evidence in the literature that dye shift is regularly accounted for in 3-primer studies, despite knowledge of this phenomenon existing for over a decade. However, we did find some references to erroneous standard correction factors for the same set of dyes that we tested. We thus reiterate the need for strict quality control when attempting to reduce possible sources of genotyping error, and in cases where different dyes are applied to a single locus, perhaps mistakenly, we strongly discourage researchers from assuming generic correction patterns. © 2011 Blackwell Publishing Ltd.

  2. Pumping requirements and options for molecular beam epitaxy and gas source molecular beam epitaxy/chemical beam epitaxy

    International Nuclear Information System (INIS)

    McCollum, M.J.; Plano, M.A.; Haase, M.A.; Robbins, V.M.; Jackson, S.L.; Cheng, K.Y.; Stillman, G.E.

    1989-01-01

    This paper discusses the use of gas sources in growth by MBE as a result of current interest in growth of InP/InGaAsP/InGaAs lattice matched to InP. For gas flows greater than a few sccm, pumping speed requirements dictate the use of turbomolecular or diffusion pumps. GaAs samples with high p-type mobilities have been grown with diffusion pumped molecular beam epitaxial system. According to the authors, this demonstration of the inherent cleanliness of a properly designed diffusion pumping system indicates that a diffusion pump is an excellent inexpensive and reliable choice for growth by molecular beam epitaxy and gas source molecular beam epitaxy/chemical beam epitaxy

  3. Creation and recovery of a W(111) single atom gas field ion source

    International Nuclear Information System (INIS)

    Pitters, Jason L.; Urban, Radovan; Wolkow, Robert A.

    2012-01-01

    Tungsten single atom tips have been prepared from a single crystal W(111) oriented wire using the chemical assisted field evaporation and etching method. Etching to a single atom tip occurs through a symmetric structure and leads to a predictable last atom unlike etching with polycrystalline tips. The single atom tip formation procedure is shown in an atom by atom removal process. Rebuilds of single atom tips occur on the same crystalline axis as the original tip such that ion emission emanates along a fixed direction for all tip rebuilds. This preparation method could be utilized and developed to prepare single atom tips for ion source development.

  4. High-quality asynchronous heralded single-photon source at telecom wavelength

    International Nuclear Information System (INIS)

    Fasel, Sylvain; Alibart, Olivier; Tanzilli, Sebastien; Baldi, Pascal; Beveratos, Alexios; Gisin, Nicolas; Zbinden, Hugo

    2004-01-01

    We report on the experimental realization and characterization of an asynchronous heralded single-photon source based on spontaneous parametric down-conversion. Photons at 1550 nm are heralded as being inside a single-mode fibre with more than 60% probability, and the multi-photon emission probability is reduced by a factor of up to more than 500 compared to Poissonian light sources. These figures of merit, together with the choice of telecom wavelength for the heralded photons, are compatible with practical applications needing very efficient and robust single-photon sources

  5. Single-photon sources for quantum technologies - Results of the joint research project SIQUTE

    DEFF Research Database (Denmark)

    Kück, S.; López, M.; Rodiek, B.

    2017-01-01

    In this presentation, the results of the joint research project “Single-Photon Sources for Quantum Technologies” (SIQUTE) [1] will be presented. The focus will be on the development of absolutely characterized single-photon sources, on the realization of an efficient waveguide-based single-photon......-photon source at the telecom wavelengths of 1.3 µm and 1.55 µm, on the implementation of the quantum-enhanced resolution in confocal fluorescence microscopy and on the development of a detector for very low photon fluxes...

  6. Optimization of Uranium Molecular Deposition for Alpha-Counting Sources

    Energy Technology Data Exchange (ETDEWEB)

    Monzo, Ellen [Univ. of Minnesota, Duluth, MN (United States); Parsons-Moss, Tashi [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Genetti, Victoria [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Knight, Kimberly [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-12-12

    Method development for molecular deposition of uranium onto aluminum 1100 plates was conducted with custom plating cells at Lawrence Livermore National Laboratory. The method development focused primarily on variation of electrode type, which was expected to directly influence plated sample homogeneity. Solid disc platinum and mesh platinum anodes were compared and data revealed that solid disc platinum anodes produced more homogenous uranium oxide films. However, the activity distribution also depended on the orientation of the platinum electrode relative to the aluminum cathode, starting current, and material composition of the plating cell. Experiments demonstrated these variables were difficult to control under the conditions available. Variation of plating parameters among a series of ten deposited plates yielded variations up to 30% in deposition efficiency. Teflon particles were observed on samples plated in Teflon cells, which poses a problem for alpha activity measurements of the plates. Preliminary electropolishing and chemical polishing studies were also conducted on the aluminum 1100 cathode plates.

  7. Cleavage and formation of molecular dinitrogen in a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine.

    Science.gov (United States)

    Miyazaki, Takamasa; Tanaka, Hiromasa; Tanabe, Yoshiaki; Yuki, Masahiro; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki

    2014-10-20

    The N≡N bond of molecular dinitrogen bridging two molybdenum atoms in the pentamethylcyclopentadienyl molybdenum complexes that bear ferrocenyldiphosphine as an auxiliary ligand is homolytically cleaved under visible light irradiation at room temperature to afford two molar molybdenum nitride complexes. Conversely, the bridging molecular dinitrogen is reformed by the oxidation of the molybdenum nitride complex at room temperature. This result provides a successful example of the cleavage and formation of molecular dinitrogen induced by a pair of two different external stimuli using a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine under ambient conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Time-domain single-source integral equations for analyzing scattering from homogeneous penetrable objects

    KAUST Repository

    Valdé s, Felipe; Andriulli, Francesco P.; Bagci, Hakan; Michielssen, Eric

    2013-01-01

    Single-source time-domain electric-and magnetic-field integral equations for analyzing scattering from homogeneous penetrable objects are presented. Their temporal discretization is effected by using shifted piecewise polynomial temporal basis

  9. Synthesis of anisotropic CdS nanostructures via a single-source route

    CSIR Research Space (South Africa)

    Rajasekhar Pullabhotla, VSR

    2011-02-01

    Full Text Available A cadmium tetrahydroisoquinoline dithiocarbamate (DTC) complex has been used as single-source precursor for the synthesis of highly faceted hexadecylamine (HDA) capped CdS nanoparticles. Hexagonal and close to cubic shaped particles with distinct...

  10. Single-source mechanical loading system produces biaxial stresses in cylinders

    Science.gov (United States)

    Flower, J. F.; Stafford, R. L.

    1967-01-01

    Single-source mechanical loading system proportions axial-to-hoop tension loads applied to cylindrical specimens. The system consists of hydraulic, pneumatic, and lever arrangements which produce biaxial loading ratios.

  11. Room-Temperature Single-Photon Source for Secure Quantum Communication

    Data.gov (United States)

    National Aeronautics and Space Administration — We are asking for four years of support for PhD student Justin Winkler's work on a research project entitled "Room temperature single photon source for secure...

  12. Pteros: fast and easy to use open-source C++ library for molecular analysis.

    Science.gov (United States)

    Yesylevskyy, Semen O

    2012-07-15

    An open-source Pteros library for molecular modeling and analysis of molecular dynamics trajectories for C++ programming language is introduced. Pteros provides a number of routine analysis operations ranging from reading and writing trajectory files and geometry transformations to structural alignment and computation of nonbonded interaction energies. The library features asynchronous trajectory reading and parallel execution of several analysis routines, which greatly simplifies development of computationally intensive trajectory analysis algorithms. Pteros programming interface is very simple and intuitive while the source code is well documented and easily extendible. Pteros is available for free under open-source Artistic License from http://sourceforge.net/projects/pteros/. Copyright © 2012 Wiley Periodicals, Inc.

  13. Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations.

    Science.gov (United States)

    Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume

    2018-01-16

    With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading

  14. Entangling quantum-logic gate operated with an ultrabright semiconductor single-photon source.

    Science.gov (United States)

    Gazzano, O; Almeida, M P; Nowak, A K; Portalupi, S L; Lemaître, A; Sagnes, I; White, A G; Senellart, P

    2013-06-21

    We demonstrate the unambiguous entangling operation of a photonic quantum-logic gate driven by an ultrabright solid-state single-photon source. Indistinguishable single photons emitted by a single semiconductor quantum dot in a micropillar optical cavity are used as target and control qubits. For a source brightness of 0.56 photons per pulse, the measured truth table has an overlap with the ideal case of 68.4±0.5%, increasing to 73.0±1.6% for a source brightness of 0.17 photons per pulse. The gate is entangling: At a source brightness of 0.48, the Bell-state fidelity is above the entangling threshold of 50% and reaches 71.0±3.6% for a source brightness of 0.15.

  15. An Oblivious O(1)-Approximation for Single Source Buy-at-Bulk

    KAUST Repository

    Goel, Ashish; Post, Ian

    2009-01-01

    We consider the single-source (or single-sink) buy-at-bulk problem with an unknown concave cost function. We want to route a set of demands along a graph to or from a designated root node, and the cost of routing x units of flow along an edge

  16. Single particle and molecular assembly analysis of polyribosomes by single- and double-tilt cryo electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Myasnikov, Alexander G. [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France); Afonina, Zhanna A. [Institute of Protein Research, Russian Academy of Sciences, 142290 Pushchino, Moscow Region (Russian Federation); Klaholz, Bruno P., E-mail: klaholz@igbmc.fr [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France)

    2013-03-15

    Cryo electron tomography (cryo-ET) can provide cellular and molecular structural information on various biological samples. However, the detailed interpretation of tomograms reconstructed from single-tilt data tends to suffer from low signal-to-noise ratio and artefacts caused by some systematically missing angular views. While these can be overcome by sub-tomogram averaging, they remain limiting for the analysis of unique structures. Double-tilt ET can improve the tomogram quality by acquiring a second tilt series after an in-plane rotation, but its usage is not widespread yet because it is considered technically demanding and it is rarely used under cryo conditions. Here we show that double-tilt cryo-ET improves the quality of 3D reconstructions so significantly that even single particle analysis can be envisaged despite of the intrinsically low image contrast obtained from frozen-hydrated specimens. This is illustrated by the analysis of eukaryotic polyribosomes in which individual ribosomes were reconstructed using single-tilt, partial and full double-tilt geometries. The improved tomograms favour the faster convergence of iterative sub-tomogram averaging and allow a better 3D classification using multivariate statistical analysis. Our study of single particles and molecular assemblies within polysomes illustrates that the dual-axis approach is particularly useful for cryo applications of ET, both for unique objects and for structures that can be classified and averaged. - Highlights: ► Double-tilt cryo-ET improves 3D reconstructions thus making single particle analysis possible. ► Dual-axis cryo-ET data favour a faster convergence of iterative sub-tomogram averaging. ► Individual ribosomes were reconstructed from single-tilt, partial/ full double-tilt geometries. ► Double-tilt cryo-ET facilitates analysis of larger molecular assemblies such as in cell sections. ► Dual-axis cryo-ET is applicable to unique objects and to structures that can be

  17. Tuning electron transport through a single molecular junction by bridge modification

    International Nuclear Information System (INIS)

    Li, Xiao-Fei; Qiu, Qi; Luo, Yi

    2014-01-01

    The possibility of controlling electron transport in a single molecular junction represents the ultimate goal of molecular electronics. Here, we report that the modification of bridging group makes it possible to improve the performance and obtain new functions in a single cross-conjugated molecular junction, designed from a recently synthesized bipolar molecule bithiophene naphthalene diimide. Our first principles results show that the bipolar characteristic remains after the molecule was modified and sandwiched between two metal electrodes. Rectifying is the intrinsic characteristic of the molecular junction and its performance can be enhanced by replacing the saturated bridging group with an unsaturated group. A further improvement of the rectifying and a robust negative differential resistance (NDR) behavior can be achieved by the modification of unsaturated bridge. It is revealed that the modification can induce a deviation angle about 4° between the donor and the acceptor π-conjugations, making it possible to enhance the communication between the two π systems. Meanwhile, the low energy frontier orbitals of the junction can move close to the Fermi level and encounter in energy at certain biases, thus a transport channel with a considerable transmission can be formed near the Fermi level only at a narrow bias regime, resulting in the improvement of rectifying and the robust NDR behavior. This finding could be useful for the design of single molecular devices.

  18. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-01-01

    potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical

  19. Modeling and Design of High-Efficiency Single-Photon Sources

    DEFF Research Database (Denmark)

    Gregersen, Niels; Nielsen, Per Kær; Mørk, Jesper

    2013-01-01

    be electrically driven. Several design strategies addressing these requirements have been proposed. In the cavity-based source, light emission is controlled using resonant cavity quantum electrodynamics effects, whereas in the waveguide-based source, broadband electric field screening effects are employed......Solid-state sources capable of emitting single photons on demand are of great interest in quantum information applications. Ideally, such a source should emit exactly one photon into the collection optics per trigger, the emitted photons should be indistinguishable, and the source should...

  20. Design and simulation of ion optics for ion sources for production of singly charged ions

    Science.gov (United States)

    Zelenak, A.; Bogomolov, S. L.

    2004-05-01

    During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments.

  1. Design and simulation of ion optics for ion sources for production of singly charged ions

    International Nuclear Information System (INIS)

    Zelenak, A.; Bogomolov, S.L.

    2004-01-01

    During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments

  2. Microjet burners for molecular-beam sources and combustion studies

    Science.gov (United States)

    Groeger, Wolfgang; Fenn, John B.

    1988-09-01

    A novel microjet burner is described in which combustion is stabilized by a hot wall. The scale is so small that the entire burner flow can be passed through a nozzle only 0.2 mm or less in diameter into an evacuated chamber to form a supersonic free jet with expansion so rapid that all collisional processes in the jet gas are frozen in a microsecond or less. This burner can be used to provide high-temperature source gas for free jet expansion to produce intense beams of internally hot molecules. A more immediate use would seem to be in the analysis of combustion products and perhaps intermediates by various kinds of spectroscopies without some of the perturbation effects encountered in probe sampling of flames and other types of combustion devices. As an example of the latter application of this new tool, we present infrared emission spectra for jet gas obtained from the combustion of oxygen-hydrocarbon mixtures both fuel-rich and fuel-lean operation. In addition, we show results obtained by mass spectrometric analysis of the combustion products.

  3. GaN Schottky diodes with single-crystal aluminum barriers grown by plasma-assisted molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Tseng, H. Y.; Yang, W. C.; Lee, P. Y.; Lin, C. W.; Cheng, Kai-Yuan; Hsieh, K. C.; Cheng, K. Y., E-mail: kycheng@ee.nthu.edu.tw [Department of Electrical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan (China); Hsu, C.-H. [Division of Scientific Research, National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China)

    2016-08-22

    GaN-based Schottky barrier diodes (SBDs) with single-crystal Al barriers grown by plasma-assisted molecular beam epitaxy are fabricated. Examined using in-situ reflection high-energy electron diffractions, ex-situ high-resolution x-ray diffractions, and high-resolution transmission electron microscopy, it is determined that epitaxial Al grows with its [111] axis coincident with the [0001] axis of the GaN substrate without rotation. In fabricated SBDs, a 0.2 V barrier height enhancement and 2 orders of magnitude reduction in leakage current are observed in single crystal Al/GaN SBDs compared to conventional thermal deposited Al/GaN SBDs. The strain induced piezoelectric field is determined to be the major source of the observed device performance enhancements.

  4. A calderón-preconditioned single source combined field integral equation for analyzing scattering from homogeneous penetrable objects

    KAUST Repository

    Valdé s, Felipe; Andriulli, Francesco P.; Bagci, Hakan; Michielssen, Eric

    2011-01-01

    A new regularized single source equation for analyzing scattering from homogeneous penetrable objects is presented. The proposed equation is a linear combination of a Calderón-preconditioned single source electric field integral equation and a

  5. Research Update: Molecular electronics: The single-molecule switch and transistor

    Directory of Open Access Journals (Sweden)

    Kai Sotthewes

    2014-01-01

    Full Text Available In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected to macroscopic leads and how the transport properties of the molecule can be measured. Based on this knowledge we have realized two single-molecule devices: a molecular switch and a molecular transistor. The switch can be opened and closed at will by carefully adjusting the separation between the electrical contacts and the voltage drop across the contacts. This single-molecular switch operates in a broad temperature range from cryogenic temperatures all the way up to room temperature. Via mechanical gating, i.e., compressing or stretching of the octanethiol molecule, by varying the contact's interspace, we are able to systematically adjust the conductance of the electrode-octanethiol-electrode junction. This two-terminal single-molecule transistor is very robust, but the amplification factor is rather limited.

  6. Possibility designing half-wave and full-wave molecular rectifiers by using single benzene molecule

    Science.gov (United States)

    Abbas, Mohammed A.; Hanoon, Falah H.; Al-Badry, Lafy F.

    2018-02-01

    This work focused on possibility designing half-wave and full-wave molecular rectifiers by using single and two benzene rings, respectively. The benzene rings were threaded by a magnetic flux that changes over time. The quantum interference effect was considered as the basic idea in the rectification action, the para and meta configurations were investigated. All the calculations are performed by using steady-state theoretical model, which is based on the time-dependent Hamiltonian model. The electrical conductance and the electric current are considered as DC output signals of half-wave and full-wave molecular rectifiers. The finding in this work opens up the exciting potential to use these molecular rectifiers in molecular electronics.

  7. Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

    Science.gov (United States)

    Vitali, Lucia; Fabris, Stefano; Conte, Adriano Mosca; Brink, Susan; Ruben, Mario; Baroni, Stefano; Kern, Klaus

    2008-10-01

    The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure and the large spin magnetic moment of the metal center. The 4f electron states are not perturbed by the adsorption while a strong molecular/metal interaction can induce the suppression of the minor spin contribution delocalized over the molecular ligands. The calculations show that the inherent spin magnetic moment of the molecule is only weakly affected by the interaction with the surface and suggest that the SMM character might be preserved.

  8. Hybrid GaAs/AlGaAs Nanowire—Quantum dot System for Single Photon Sources

    DEFF Research Database (Denmark)

    Cirlin, G.; Reznik, R.; Shtrom, I.

    2018-01-01

    III–V nanowires, or a combination of the nanowires with quantum dots, are promising building blocks for future optoelectronic devices, in particular, single-photon emitters, lasers and photodetectors. In this work we present results of molecular beam epitaxial growth of combined nanostructures...

  9. Single-channel source separation using non-negative matrix factorization

    DEFF Research Database (Denmark)

    Schmidt, Mikkel Nørgaard

    -determined and its solution relies on making appropriate assumptions concerning the sources. This dissertation is concerned with model-based probabilistic single-channel source separation based on non-negative matrix factorization, and consists of two parts: i) three introductory chapters and ii) five published...... papers. The first part introduces the single-channel source separation problem as well as non-negative matrix factorization and provides a comprehensive review of existing approaches, applications, and practical algorithms. This serves to provide context for the second part, the published papers......, in which a number of methods for single-channel source separation based on non-negative matrix factorization are presented. In the papers, the methods are applied to separating audio signals such as speech and musical instruments and separating different types of tissue in chemical shift imaging....

  10. Demonstration of acoustic source localization in air using single pixel compressive imaging

    Science.gov (United States)

    Rogers, Jeffrey S.; Rohde, Charles A.; Guild, Matthew D.; Naify, Christina J.; Martin, Theodore P.; Orris, Gregory J.

    2017-12-01

    Acoustic source localization often relies on large sensor arrays that can be electronically complex and have large data storage requirements to process element level data. Recently, the concept of a single-pixel-imager has garnered interest in the electromagnetics literature due to its ability to form high quality images with a single receiver paired with shaped aperture screens that allow for the collection of spatially orthogonal measurements. Here, we present a method for creating an acoustic analog to the single-pixel-imager found in electromagnetics for the purpose of source localization. Additionally, diffraction is considered to account for screen openings comparable to the acoustic wavelength. A diffraction model is presented and incorporated into the single pixel framework. In this paper, we explore the possibility of applying single pixel localization to acoustic measurements. The method is experimentally validated with laboratory measurements made in an air waveguide.

  11. Post-processing with linear optics for improving the quality of single-photon sources

    International Nuclear Information System (INIS)

    Berry, Dominic W; Scheel, Stefan; Myers, Casey R; Sanders, Barry C; Knight, Peter L; Laflamme, Raymond

    2004-01-01

    Triggered single-photon sources produce the vacuum state with non-negligible probability, but produce a much smaller multiphoton component. It is therefore reasonable to approximate the output of these photon sources as a mixture of the vacuum and single-photon states. We show that it is impossible to increase the probability for a single photon using linear optics and photodetection on fewer than four modes. This impossibility is due to the incoherence of the inputs; if the inputs were pure-state superpositions, it would be possible to obtain a perfect single-photon output. In the more general case, a chain of beam splitters can be used to increase the probability for a single photon, but at the expense of adding an additional multiphoton component. This improvement is robust against detector inefficiencies, but is degraded by distinguishable photons, dark counts or multiphoton components in the input

  12. Molecular and negative ion production by a standard electron cyclotron resonance ion source

    Energy Technology Data Exchange (ETDEWEB)

    Racz, R. [Institute of Nuclear Research (ATOMKI), Bem ter 18/c, H-4026 Debrecen (Hungary); University of Debrecen, Egyetem ter 1, H-4010 Debrecen (Hungary); Biri, S.; Juhasz, Z.; Sulik, B. [Institute of Nuclear Research (ATOMKI), Bem ter 18/c, H-4026 Debrecen (Hungary); Palinkas, J. [University of Debrecen, Egyetem ter 1, H-4010 Debrecen (Hungary)

    2012-02-15

    Molecular and negative ion beams, usually produced in special ion sources, play an increasingly important role in fundamental and applied atomic physics. The ATOMKI-ECRIS is a standard ECR ion source, designed to provide highly charged ion (HCI) plasmas and beams. In the present work, H{sup -}, O{sup -}, OH{sup -}, O{sub 2}{sup -}, C{sup -}, C{sub 60}{sup -} negative ions and H{sub 2}{sup +}, H{sub 3}{sup +}, OH{sup +}, H{sub 2}O{sup +}, H{sub 3}O{sup +}, O{sub 2}{sup +} positive molecular ions were generated in this HCI-ECRIS. Without any major modification in the source and without any commonly applied tricks (such as usage of cesium or magnetic filter), negative ion beams of several {mu}A and positive molecular ion beams in the mA range were successfully obtained.

  13. A single-source photon source model of a linear accelerator for Monte Carlo dose calculation.

    Science.gov (United States)

    Nwankwo, Obioma; Glatting, Gerhard; Wenz, Frederik; Fleckenstein, Jens

    2017-01-01

    To introduce a new method of deriving a virtual source model (VSM) of a linear accelerator photon beam from a phase space file (PSF) for Monte Carlo (MC) dose calculation. A PSF of a 6 MV photon beam was generated by simulating the interactions of primary electrons with the relevant geometries of a Synergy linear accelerator (Elekta AB, Stockholm, Sweden) and recording the particles that reach a plane 16 cm downstream the electron source. Probability distribution functions (PDFs) for particle positions and energies were derived from the analysis of the PSF. These PDFs were implemented in the VSM using inverse transform sampling. To model particle directions, the phase space plane was divided into a regular square grid. Each element of the grid corresponds to an area of 1 mm2 in the phase space plane. The average direction cosines, Pearson correlation coefficient (PCC) between photon energies and their direction cosines, as well as the PCC between the direction cosines were calculated for each grid element. Weighted polynomial surfaces were then fitted to these 2D data. The weights are used to correct for heteroscedasticity across the phase space bins. The directions of the particles created by the VSM were calculated from these fitted functions. The VSM was validated against the PSF by comparing the doses calculated by the two methods for different square field sizes. The comparisons were performed with profile and gamma analyses. The doses calculated with the PSF and VSM agree to within 3% /1 mm (>95% pixel pass rate) for the evaluated fields. A new method of deriving a virtual photon source model of a linear accelerator from a PSF file for MC dose calculation was developed. Validation results show that the doses calculated with the VSM and the PSF agree to within 3% /1 mm.

  14. A single-source photon source model of a linear accelerator for Monte Carlo dose calculation.

    Directory of Open Access Journals (Sweden)

    Obioma Nwankwo

    Full Text Available To introduce a new method of deriving a virtual source model (VSM of a linear accelerator photon beam from a phase space file (PSF for Monte Carlo (MC dose calculation.A PSF of a 6 MV photon beam was generated by simulating the interactions of primary electrons with the relevant geometries of a Synergy linear accelerator (Elekta AB, Stockholm, Sweden and recording the particles that reach a plane 16 cm downstream the electron source. Probability distribution functions (PDFs for particle positions and energies were derived from the analysis of the PSF. These PDFs were implemented in the VSM using inverse transform sampling. To model particle directions, the phase space plane was divided into a regular square grid. Each element of the grid corresponds to an area of 1 mm2 in the phase space plane. The average direction cosines, Pearson correlation coefficient (PCC between photon energies and their direction cosines, as well as the PCC between the direction cosines were calculated for each grid element. Weighted polynomial surfaces were then fitted to these 2D data. The weights are used to correct for heteroscedasticity across the phase space bins. The directions of the particles created by the VSM were calculated from these fitted functions. The VSM was validated against the PSF by comparing the doses calculated by the two methods for different square field sizes. The comparisons were performed with profile and gamma analyses.The doses calculated with the PSF and VSM agree to within 3% /1 mm (>95% pixel pass rate for the evaluated fields.A new method of deriving a virtual photon source model of a linear accelerator from a PSF file for MC dose calculation was developed. Validation results show that the doses calculated with the VSM and the PSF agree to within 3% /1 mm.

  15. Molecular investigation of evaporation of biodroplets containing single-strand DNA on graphene surface.

    Science.gov (United States)

    Akbari, Fahimeh; Foroutan, Masumeh

    2018-02-14

    In this study, the water droplet behaviour of four different types of single-strand DNA with homogeneous base sequence on a graphene substrate during evaporation of the droplet was investigated using molecular dynamics (MD) simulation. The simulation results indicated that the evaporation depended on the DNA sequence. The observed changes can be divided into four parts: (i) vaporization mode, (ii) evaporation flux, (iii) mechanism of single-strand placement on the surface, and (iv) consideration of remaining single strands after evaporation. Our simulation observations indicated different evaporation modes for thymine biodroplets as compared to those for other biodroplets. The evaporation of the thymine biodroplets occurred with an increase in the contact angle, while that of the other biodroplets occur in a constant contact angle mode. Moreover, thymine biodroplets generate the lowest contact line compared to other single strands, and it is always placed far away from the centre of the droplets during evaporation. Investigating variations in the evaporation flux shows that thymine has the highest evaporation flux and guanine has the lowest. Moreover, during initial evaporation, the flux of evaporation increases at the triple point of the biodroplets containing thymine single strands, while it decreases in the other biodroplets. The following observation was obtained from the study of the placement of single strands on the substrate: guanine and thymine interacted slower than other single strands during evaporation with graphene, adenine single strand had a higher folding during evaporation, and guanine single strand showed the lowest end-to-end distance. The investigation of single-strand DNA after evaporation shows that adenine produces the most stable structure at the end of evaporation. In addition, cytosine is the most stretched single-strand DNA due to its lack of internal π-π stacking and hydrogen bonding. Therefore, cytosine single strand is more

  16. Variable contact gap single-molecule conductance determination for a series of conjugated molecular bridges

    DEFF Research Database (Denmark)

    Haiss, W.; Wang, Christian; Jitchati, R.

    2008-01-01

    It is now becoming clear that the characteristics of the whole junction are important in determining the conductance of single molecules bound between two metal contacts. This paper shows through measurements on a series of seven conjugated molecular bridges that contact separation is an importan...... that conductance increases rather dramatically at higher tilt angle away from the normal for conformationally rigid molecular wires and that this increase in conductance arises from increased electronic coupling between the molecular bridge and the gold contacts.......It is now becoming clear that the characteristics of the whole junction are important in determining the conductance of single molecules bound between two metal contacts. This paper shows through measurements on a series of seven conjugated molecular bridges that contact separation is an important......-distance curves and knowledge of the terminal to terminal length of the molecular wire. The contact gap separation dependence is interpreted as arising from tilting of these molecules in the junction and this model is underpinned by ab initio transport computations. In this respect we make the general observation...

  17. Molecular analysis of single oocyst of Eimeria by whole genome amplification (WGA) based nested PCR.

    Science.gov (United States)

    Wang, Yunzhou; Tao, Geru; Cui, Yujuan; Lv, Qiyao; Xie, Li; Li, Yuan; Suo, Xun; Qin, Yinghe; Xiao, Lihua; Liu, Xianyong

    2014-09-01

    PCR-based molecular tools are widely used for the identification and characterization of protozoa. Here we report the molecular analysis of Eimeria species using combined methods of whole genome amplification (WGA) and nested PCR. Single oocyst of Eimeria stiedai or Eimeriamedia was directly used for random amplification of the genomic DNA with either primer extension preamplification (PEP) or multiple displacement amplification (MDA), and then the WGA product was used as template in nested PCR with species-specific primers for ITS-1, 18S rDNA and 23S rDNA of E. stiedai and E. media. WGA-based PCR was successful for the amplification of these genes from single oocyst. For the species identification of single oocyst isolated from mixed E. stiedai or E. media, the results from WGA-based PCR were exactly in accordance with those from morphological identification, suggesting the availability of this method in molecular analysis of eimerian parasites at the single oocyst level. WGA-based PCR method can also be applied for the identification and genetic characterization of other protists. Copyright © 2014 Elsevier Inc. All rights reserved.

  18. Nanoscale heterostructures with molecular-scale single-crystal metal wires.

    Science.gov (United States)

    Kundu, Paromita; Halder, Aditi; Viswanath, B; Kundu, Dipan; Ramanath, Ganpati; Ravishankar, N

    2010-01-13

    Creating nanoscale heterostructures with molecular-scale (synthesis of nanoscale heterostructures with single-crystal molecular-scale Au nanowires attached to different nanostructure substrates. Our method involves the formation of Au nanoparticle seeds by the reduction of rocksalt AuCl nanocubes heterogeneously nucleated on the substrates and subsequent nanowire growth by oriented attachment of Au nanoparticles from the solution phase. Nanoscale heterostructures fabricated by such site-specific nucleation and growth are attractive for many applications including nanoelectronic device wiring, catalysis, and sensing.

  19. Propagation characteristics of audible noise generated by single corona source under positive DC voltage

    Directory of Open Access Journals (Sweden)

    Xuebao Li

    2017-10-01

    Full Text Available The directivity and lateral profile of corona-generated audible noise (AN from a single corona source are measured through experiments carried out in the semi-anechoic laboratory. The experimental results show that the waveform of corona-generated AN consists of a series of random sound pressure pulses whose pulse amplitudes decrease with the increase of measurement distance. A single corona source can be regarded as a non-directional AN source, and the A-weighted SPL (sound pressure level decreases 6 dB(A as doubling the measurement distance. Then, qualitative explanations for the rationality of treating the single corona source as a point source are given on the basis of the Ingard’s theory for sound generation in corona discharge. Furthermore, we take into consideration of the ground reflection and the air attenuation to reconstruct the propagation features of AN from the single corona source. The calculated results agree with the measurement well, which validates the propagation model. Finally, the influence of the ground reflection on the SPL is presented in the paper.

  20. Sourcing for Quality: Cooperating with a Single Supplier or Developing Two Competing Suppliers?

    Directory of Open Access Journals (Sweden)

    Jingxian Chen

    2016-01-01

    Full Text Available Supplier efforts regarding product quality are an important issue in outsourcing and play a critical role in a manufacturer’s choice of sourcing strategy. Consider a manufacturer that wants to outsource the manufacturing of two substitute products to external suppliers. This paper studies the strategic interactions under two sourcing strategies: single and dual sourcing. A four-stage noncooperative game model is established to describe each member’s decisions. We further propose four decision scenarios: single sourcing with and without manufacturer quality investment sharing and dual sourcing when suppliers cooperate or do not cooperate on quality decisions. By the backward induction approach, we obtain analytical equilibrium solutions for each decision scenario. By comparing each pair of equilibrium profiles, we find that an appropriate proportion of quality investment sharing by the manufacturer can enable a cooperating strategy with a single supplier to be the dominant strategy. When the manufacturer does not want to share or does not want to share a relatively large portion of its supplier’s quality investment, it will always prefer to develop two competing suppliers when the cost of dual sourcing is sufficiently low. However, dual sourcing can be extremely risky for the manufacturer because the suppliers could provide a relatively low product quality level by cooperating on the quality decision to extract the manufacturer’s profit.

  1. A Comprehensive Experiment for Molecular Biology: Determination of Single Nucleotide Polymorphism in Human REV3 Gene Using PCR-RFLP

    Science.gov (United States)

    Zhang, Xu; Shao, Meng; Gao, Lu; Zhao, Yuanyuan; Sun, Zixuan; Zhou, Liping; Yan, Yongmin; Shao, Qixiang; Xu, Wenrong; Qian, Hui

    2017-01-01

    Laboratory exercise is helpful for medical students to understand the basic principles of molecular biology and to learn about the practical applications of molecular biology. We have designed a lab course on molecular biology about the determination of single nucleotide polymorphism (SNP) in human REV3 gene, the product of which is a subunit of…

  2. Calibrate the aerial surveying instrument by the limited surface source and the single point source that replace the unlimited surface source

    CERN Document Server

    Lu Cun Heng

    1999-01-01

    It is described that the calculating formula and surveying result is found on the basis of the stacking principle of gamma ray and the feature of hexagonal surface source when the limited surface source replaces the unlimited surface source to calibrate the aerial survey instrument on the ground, and that it is found in the light of the exchanged principle of the gamma ray when the single point source replaces the unlimited surface source to calibrate aerial surveying instrument in the air. Meanwhile through the theoretical analysis, the receiving rate of the crystal bottom and side surfaces is calculated when aerial surveying instrument receives gamma ray. The mathematical expression of the gamma ray decaying following height according to the Jinge function regularity is got. According to this regularity, the absorbing coefficient that air absorbs the gamma ray and the detective efficiency coefficient of the crystal is calculated based on the ground and air measuring value of the bottom surface receiving cou...

  3. Single-cell transcriptomics uncovers distinct molecular signatures of stem cells in chronic myeloid leukemia.

    Science.gov (United States)

    Giustacchini, Alice; Thongjuea, Supat; Barkas, Nikolaos; Woll, Petter S; Povinelli, Benjamin J; Booth, Christopher A G; Sopp, Paul; Norfo, Ruggiero; Rodriguez-Meira, Alba; Ashley, Neil; Jamieson, Lauren; Vyas, Paresh; Anderson, Kristina; Segerstolpe, Åsa; Qian, Hong; Olsson-Strömberg, Ulla; Mustjoki, Satu; Sandberg, Rickard; Jacobsen, Sten Eirik W; Mead, Adam J

    2017-06-01

    Recent advances in single-cell transcriptomics are ideally placed to unravel intratumoral heterogeneity and selective resistance of cancer stem cell (SC) subpopulations to molecularly targeted cancer therapies. However, current single-cell RNA-sequencing approaches lack the sensitivity required to reliably detect somatic mutations. We developed a method that combines high-sensitivity mutation detection with whole-transcriptome analysis of the same single cell. We applied this technique to analyze more than 2,000 SCs from patients with chronic myeloid leukemia (CML) throughout the disease course, revealing heterogeneity of CML-SCs, including the identification of a subgroup of CML-SCs with a distinct molecular signature that selectively persisted during prolonged therapy. Analysis of nonleukemic SCs from patients with CML also provided new insights into cell-extrinsic disruption of hematopoiesis in CML associated with clinical outcome. Furthermore, we used this single-cell approach to identify a blast-crisis-specific SC population, which was also present in a subclone of CML-SCs during the chronic phase in a patient who subsequently developed blast crisis. This approach, which might be broadly applied to any malignancy, illustrates how single-cell analysis can identify subpopulations of therapy-resistant SCs that are not apparent through cell-population analysis.

  4. Determination of photoionization cross-sections of different organic molecules using gas chromatography coupled to single-photon ionization (SPI) time-of-flight mass spectrometry (TOF-MS) with an electron-beam-pumped rare gas excimer light source (EBEL): influence of molecular structure and analytical implications.

    Science.gov (United States)

    Eschner, Markus S; Zimmermann, Ralf

    2011-07-01

    This work describes a fast and reliable method for determination of photoionization cross-sections (PICS) by means of gas chromatography (GC) coupled to single-photon ionization mass spectrometry (SPI-MS). Photoionization efficiency (PIE) data for 69 substances was obtained at a photon energy of 9.8 ± 0.4 eV using an innovative electron-beam-pumped rare gas excimer light source (EBEL) filled with argon. The investigated analytes comprise 12 alkylbenzenes as well as 11 other substituted benzenes, 23 n-alkanes, ten polyaromatic hydrocarbons, seven aromatic heterocycles, and six polyaromatic heterocycles. Absolute PICS for each substance at 9.8 eV are calculated from the relative photoionization efficiencies of the compounds with respect to benzene, whose photoionization cross-section data is well known. Furthermore, a direct correlation between the type of benzene substituents and their absolute PICS is presented and discussed in depth. Finally, comparison of previously measured photoionization cross-sections for 20 substances shows good agreement with the data of the present work.

  5. Cross correlations of quantum key distribution based on single-photon sources

    International Nuclear Information System (INIS)

    Dong Shuangli; Wang Xiaobo; Zhang Guofeng; Sun Jianhu; Zhang Fang; Xiao Liantuan; Jia Suotang

    2009-01-01

    We theoretically analyze the second-order correlation function in a quantum key distribution system with real single-photon sources. Based on single-event photon statistics, the influence of the modification caused by an eavesdropper's intervention and the effects of background signals on the cross correlations between authorized partners are presented. On this basis, we have shown a secure range of correlation against the intercept-resend attacks.

  6. Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

    International Nuclear Information System (INIS)

    Martin, F.; Riera, A.; Yaez, M.

    1986-01-01

    In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s 2 ) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail

  7. Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F.; Riera, A.; Yaez, M.

    1986-12-01

    In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s/sup 2/) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail.

  8. A highly efficient single-photon source based on a quantum dot in a photonic nanowire

    DEFF Research Database (Denmark)

    Claudon, Julien; Bleuse, Joel; Malik, Nitin Singh

    2010-01-01

    –4 or a semiconductor quantum dot5–7. Achieving a high extraction efficiency has long been recognized as a major issue, and both classical solutions8 and cavity quantum electrodynamics effects have been applied1,9–12. We adopt a different approach, based on an InAs quantum dot embedded in a GaAs photonic nanowire......The development of efficient solid-state sources of single photons is a major challenge in the context of quantum communication,optical quantum information processing and metrology1. Such a source must enable the implementation of a stable, single-photon emitter, like a colour centre in diamond2...

  9. Bright quantum dot single photon source based on a low Q defect cavity

    DEFF Research Database (Denmark)

    Maier, Sebastian; Gold, Peter; Forchel, A.

    2014-01-01

    The quasi-planar single photon source presented in this paper shows an extraction efficiency of 42% without complex photonic resonator geometries or lithography steps as well as a high purity with a g2(0) value of 0.023.......The quasi-planar single photon source presented in this paper shows an extraction efficiency of 42% without complex photonic resonator geometries or lithography steps as well as a high purity with a g2(0) value of 0.023....

  10. Quantum Tunneling of Magnetization in Single Molecular Magnets Coupled to Ferromagnetic Reservoirs

    OpenAIRE

    Misiorny, Maciej; Barnas, Józef

    2006-01-01

    The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization (QTM). The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction with tunneling electrons is shown to affect the spin reversal due to QTM. ...

  11. Magnetic Switching of a Single Molecular Magnet due to Spin-Polarized Current

    OpenAIRE

    Misiorny, Maciej; Barnas, Józef

    2006-01-01

    Magnetic switching of a single molecular magnet (SMM) due to spin-polarized current flowing between ferromagnetic metallic electrodes is investigated theoretically. Magnetic moments of the electrodes are assumed to be collinear and parallel to the magnetic easy axis of the molecule. Electrons tunneling through a barrier between magnetic leads are coupled to the SMM via exchange interaction. The current flowing through the system as well as the spin relaxation times of the SMM are calculated f...

  12. Pumping $ac$ Josephson current in the Single Molecular Magnets by spin nutation

    OpenAIRE

    Abdollahipour, B.; Abouie, J.; Rostami, A. A.

    2012-01-01

    We demonstrate that an {\\it ac} Josephson current is pumped through the Single Molecular Magnets (SMM) by the spin nutation. The spin nutation is generated by applying a time dependent magnetic field to the SMM. We obtain the flowing charge current through the junction by working in the tunneling limit and employing Green's function technique. At the resonance conditions some discontinuities and divergencies are appeared in the normal and Josephson currents, respectively. Such discontinuities...

  13. Molecular imaging and optical diagnosis from single molecule to human body

    International Nuclear Information System (INIS)

    Tamura, Mamoru

    2006-01-01

    The combination of molecular biology and optelectronics has given rise to open a new field, bio-photonics, in the 21st century. In this review, recent advances in several in vitro and in vivo single-molecule detection methods for animals are discussed. The possible applications of optical diagnosis are also included, which are optical mammography, diffuse optical tomography and fluorescence endoscopy. The potential of the light use of in diagnosis is emphasized. (author)

  14. Deuteron NMR resolved mesogen vs. crosslinker molecular order and reorientational exchange in liquid single crystal elastomers

    Czech Academy of Sciences Publication Activity Database

    Milavec, J.; Domenici, V.; Zupančič, B.; Rešetič, A.; Bubnov, Alexej; Zalar, B.

    2016-01-01

    Roč. 18, č. 5 (2016), s. 4071-4077 ISSN 1463-9076 R&D Projects: GA ČR GA15-02843S; GA MŠk(CZ) LD14007 Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid single crystal elastomer * NMR * liquid crystal * molecular order * monomers Subject RIV: JJ - Other Materials Impact factor: 4.123, year: 2016

  15. Online molecular image repository and analysis system: A multicenter collaborative open-source infrastructure for molecular imaging research and application.

    Science.gov (United States)

    Rahman, Mahabubur; Watabe, Hiroshi

    2018-05-01

    Molecular imaging serves as an important tool for researchers and clinicians to visualize and investigate complex biochemical phenomena using specialized instruments; these instruments are either used individually or in combination with targeted imaging agents to obtain images related to specific diseases with high sensitivity, specificity, and signal-to-noise ratios. However, molecular imaging, which is a multidisciplinary research field, faces several challenges, including the integration of imaging informatics with bioinformatics and medical informatics, requirement of reliable and robust image analysis algorithms, effective quality control of imaging facilities, and those related to individualized disease mapping, data sharing, software architecture, and knowledge management. As a cost-effective and open-source approach to address these challenges related to molecular imaging, we develop a flexible, transparent, and secure infrastructure, named MIRA, which stands for Molecular Imaging Repository and Analysis, primarily using the Python programming language, and a MySQL relational database system deployed on a Linux server. MIRA is designed with a centralized image archiving infrastructure and information database so that a multicenter collaborative informatics platform can be built. The capability of dealing with metadata, image file format normalization, and storing and viewing different types of documents and multimedia files make MIRA considerably flexible. With features like logging, auditing, commenting, sharing, and searching, MIRA is useful as an Electronic Laboratory Notebook for effective knowledge management. In addition, the centralized approach for MIRA facilitates on-the-fly access to all its features remotely through any web browser. Furthermore, the open-source approach provides the opportunity for sustainable continued development. MIRA offers an infrastructure that can be used as cross-boundary collaborative MI research platform for the rapid

  16. Atomic and molecular spectroscopy with optical-frequency-comb-referenced IR coherent sources

    International Nuclear Information System (INIS)

    Cancio, P.; Bartalini, S.; De Rosa, M.; Giusfredi, G.; Mazzotti, D.; Maddaloni, P.; Vitiello, M. S.; De Natale, P.

    2013-01-01

    We provide a review of progress in the development of metrological-grade measurements in atomic and molecular systems through the extension, in the mid-infrared and far-infrared range, of optical frequency combs (OFCs) and the introduction of new techniques and highly coherent sources. (authors)

  17. A single source microwave photonic filter using a novel single-mode fiber to multimode fiber coupling technique.

    Science.gov (United States)

    Chang, John; Fok, Mable P; Meister, James; Prucnal, Paul R

    2013-03-11

    In this paper we present a fully tunable and reconfigurable single-laser multi-tap microwave photonic FIR filter that utilizes a special SM-to-MM combiner to sum the taps. The filter requires only a single laser source for all the taps and a passive component, a SM-to-MM combiner, for incoherent summing of signal. The SM-to-MM combiner does not produce optical interference during signal merging and is phase-insensitive. We experimentally demonstrate an eight-tap filter with both positive and negative programmable coefficients with excellent correspondence between predicted and measured values. The magnitude response shows a clean and accurate function across the entire bandwidth, and proves successful operation of the FIR filter using a SM-to-MM combiner.

  18. Surface characterization of III-V MOCVD films from heterocyclic single-source precursors; Oberflaechencharakterisierung von III-V MOCVD-Filmen aus heterozyklischen Single Source Precursoren

    Energy Technology Data Exchange (ETDEWEB)

    Seemayer, Andreas

    2009-07-13

    In the present thesis the sublimation and evaporation properties of heterocyclic gallium and antimony containing single-source precursors as well as the chemical composition and morphology of the films fabricated from this were studied. The single-source precursors available by a new synthesis route were characterized concerning their evaporation properties and the obtained films studied surface-physically. By this way the process parameters were optimized and the applicability of the single-source precursors in HV-MOCVD processes studied. By evaporation experiments in the UHV it could be shown that thereby lighter ligands like ethyl- and methyl-groups lead to a lower contamination of the reaction space with carbon containing molecules. Furthermore it was expected that the 6-rings synthetized with short ligands exhibit a high stability. This however could not be confirmed. By unwanted parasitary reactions in the gaseous phase respectively dissociative sublimation in the gaseous phase a deposition of GaSb with these precursors was not possible. The 4-ring stabilized with tertiary-butyl and ethyl-groups caused in the evaporation the largest contamination of the gaseous phase, becauselonger-chain hydrocarbons exhibil only a bad pump cross section. By parasitary reactions originating elementary antimony is detectable in the gaseous phase. The films were studied concerning their chemical composition and their transport- respectively storage-conditioned surface contamination. Furthermore it has become clear that not only a purely synthetized precursor substance but also the reactor design is deciding for a successful deposition and a high film quality. First by successive optimization of the evaporation geometry it was possible to reduce the roughness of the produced GaSb films down to about 10 nm-30 nm.

  19. A new approach to the method of source-sink potentials for molecular conduction

    Energy Technology Data Exchange (ETDEWEB)

    Pickup, Barry T., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Fowler, Patrick W., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Borg, Martha [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom); Sciriha, Irene [Department of Mathematics, University of Malta, Msida (Malta)

    2015-11-21

    We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction through conjugated molecular structures in a form that avoids singularities. This enables derivation of new results for families of molecular devices in terms of eigenvectors and eigenvalues of the adjacency matrix of the molecular graph. In particular, we define the transmission of electrons through individual molecular orbitals (MO) and through MO shells. We make explicit the behaviour of the total current and individual MO and shell currents at molecular eigenvalues. A rich variety of behaviour is found. A SSP device has specific insulation or conduction at an eigenvalue of the molecular graph (a root of the characteristic polynomial) according to the multiplicities of that value in the spectra of four defined device polynomials. Conduction near eigenvalues is dominated by the transmission curves of nearby shells. A shell may be inert or active. An inert shell does not conduct at any energy, not even at its own eigenvalue. Conduction may occur at the eigenvalue of an inert shell, but is then carried entirely by other shells. If a shell is active, it carries all conduction at its own eigenvalue. For bipartite molecular graphs (alternant molecules), orbital conduction properties are governed by a pairing theorem. Inertness of shells for families such as chains and rings is predicted by selection rules based on node counting and degeneracy.

  20. Three-Level Z-Source Inverters Using a Single LC Impedance Network

    DEFF Research Database (Denmark)

    Loh, Poh Chiang; Lim, Sok Wei; Gao, Feng

    2007-01-01

    two LC impedance networks and two isolated dc sources, which can significantly increase the overall system cost and require a more complex modulator for balancing the network inductive voltage boosting. Offering a number of less costly alternatives, this letter presents the design and control of two...... three-level Z-source inverters, whose output voltage can be stepped down or up using only a single LC impedance network connected between the dc input source and either a neutral-point-clamped (NPC) or dc-link cascaded inverter circuitry. Through careful design of their modulation scheme, both inverters...

  1. Molecular Epidemiology of Group A Rotaviruses in Water Sources and Selected Raw Vegetables in Southern Africa

    Science.gov (United States)

    van Zyl, W. B.; Page, N. A.; Grabow, W. O. K.; Steele, A. D.; Taylor, M. B.

    2006-01-01

    Group A rotaviruses (RVs) are the most important cause of acute viral gastroenteritis in infants and young children. In this study raw and treated drinking water supplies at plants in two geographic areas, as well as selected irrigation water and corresponding raw vegetables in three regions of southern Africa, were screened for the presence of RVs using molecular techniques. Group A RVs were detected in 11.8% of partially treated and 1.7% of finally treated drinking water samples and in 14% of irrigation water samples and 1.7% of corresponding raw vegetable samples. Type-specific reverse transcriptase-PCR and sequence analysis revealed the presence of multiple types (G1, G2, G8, and G9) in irrigation water and single types (G1 or G3) in raw and treated drinking water. Group A RVs detected in all samples consisted of mixed P types (P[4], P[6], P[8], and P[9]), with P[6] predominating. The detection of types G8, G9, and P[6] reflects the emergence of these types in clinical infections. The similarity of environmental types to those in patients with clinical RV infections confirms the value of wastewater screening as a tool for assessing RVs circulating in communities, with the benefit of detecting types that cause both clinical and subclinical infections. The results provide new information on RV types in water and related environments and identify the potential risk of waterborne transmission. In addition, the presence of RVs in drinking water underlines shortcomings in quality specifications. These data provide valuable information regarding the prevalence of RVs in environmental sources, with important implications for vaccine development. PMID:16820443

  2. Estimating single molecule conductance from spontaneous evolution of a molecular contact

    Science.gov (United States)

    Gil, M.; Malinowski, T.; Iazykov, M.; Klein, H. R.

    2018-03-01

    We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction operated at room temperature in the liquid. We record the conductance through the metal/molecules/metal nanocontact while keeping the metallic electrodes at a fixed distance. Taking advantage of thermal diffusion and electromigration, we let the contact naturally explore the more stable configurations around a chosen conductance value. The conductance of a single molecule is estimated from a statistical analysis of raw conductance and conductance standard deviation data for molecular contacts containing up to 14 molecules. The single molecule conductance values are interpreted as time-averaged conductance of an ensemble of conformers at thermal equilibrium.

  3. Recent Advances for High-Efficiency Sources of Single Photons Based on Photonic Nanowires

    DEFF Research Database (Denmark)

    Gerard, J. M.; Claudon, J.; Munsch, M.

    2012-01-01

    Photonic nanowires have recently been used to tailor the spontaneous emission of embedded quantum dots, and to develop record efficiency single-photon sources. We will present recent developments in this field mainly 1) the observation of a strong inhibition of the spontaneous emission of quantum...

  4. A high-efficiency electrically-pumped single-photon source based on a photonics nanowire

    DEFF Research Database (Denmark)

    Gregersen, Niels; Nielsen, Torben Roland; Mørk, Jesper

    An electrically-pumped single-photon source design with a predicted efficiency of 89% is proposed. The design is based on a quantum dot embedded in a photonic nanowire with tailored ends and optimized contact electrodes. Unlike cavity-based approaches, the photonic nanowire features broadband...

  5. High-efficiency single-photon source: The photonic wire geometry

    DEFF Research Database (Denmark)

    Claudon, J.; Bazin, Maela; Malik, Nitin S.

    2009-01-01

    We present a single-photon-source design based on the emission of a quantum dot embedded in a semiconductor (GaAs) nanowire. The nanowire ends are engineered (efficient metallic mirror and tip taper) to reach a predicted record-high collection efficiency of 90% with a realistic design. Preliminar...

  6. 77 FR 59931 - Single Source Program Expansion Supplement Award to Area Health Education Centers (AHEC) Program...

    Science.gov (United States)

    2012-10-01

    ... Program Expansion Supplement Award to Area Health Education Centers (AHEC) Program Grantee; Exception to... Competition--Single Source Program Expansion Supplement Award to Area Health Education Centers (AHEC) Program... supplement award to the University of Guam School of Nursing, an Area Health Education Center (AHEC) Program...

  7. Resource allocation for two source-destination pairs sharing a single relay with a buffer

    KAUST Repository

    Zafar, Ammar; Shaqfeh, Mohammad; Alouini, Mohamed-Slim; Alnuweiri, Hussein M.

    2014-01-01

    In this paper, we obtain the optimal resource allocation scheme in order to maximize the achievable rate region in a dual-hop system that consists of two independent source-destination pairs sharing a single half-duplex relay. The relay decodes

  8. Controlling light emission from single-photon sources using photonic nanowires

    DEFF Research Database (Denmark)

    Gregersen, Niels; Chen, Yuntian; Mørk, Jesper

    2012-01-01

    The photonic nanowire has recently emerged as an promising alternative to microcavity-based single-photon source designs. In this simple structure, a geometrical effect ensures a strong coupling between an embedded emitter and the optical mode of interest and a combination of tapers and mirrors a...

  9. 75 FR 25271 - Office of Refugee Resettlement; Urgent Single Source Grant to Survivors of Torture International...

    Science.gov (United States)

    2010-05-07

    ... DEPARTMENT OF HEALTH AND HUMAN SERVICES Administration for Children and Families Office of Refugee Resettlement; Urgent Single Source Grant to Survivors of Torture International (SOTI) AGENCY: Office of Refugee... effects of torture. (2) Social and legal services for victims of torture. (3) Research and training for...

  10. Efficient fiber-coupled single-photon sources based on quantum dots

    DEFF Research Database (Denmark)

    Daveau, Raphaël Sura

    refrigeration with coupled quantum wells. Many photonic quantum information processing applications would benet from a highbrightness, ber-coupled source of triggered single photons. This thesis presents a study of such sources based on quantum dots coupled to unidirectional photonic-crystal waveguide devices.......6 %. This latter method opens a promising future for increasing the eciency and reliability of planar chip-based single-photon sources. Refrigeration of a solid-state system with light has potential applications for cooling small-scale electronic and photonic circuits. We show theoretically that two coupled...... semiconductor quantum wells are ecient cooling media because they support long-lived indirect electron-hole pairs. These pairs can be thermally excited to distinct higher-energy states with faster radiative recombination, thereby creating an ecient escape channel to remove thermal energy from the system. From...

  11. mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets.

    Science.gov (United States)

    Dalke, Andrew; Hert, Jérôme; Kramer, Christian

    2018-05-29

    Matched molecular pair analysis (MMPA) enables the automated and systematic compilation of medicinal chemistry rules from compound/property data sets. Here we present mmpdb, an open-source matched molecular pair (MMP) platform to create, compile, store, retrieve, and use MMP rules. mmpdb is suitable for the large data sets typically found in pharmaceutical and agrochemical companies and provides new algorithms for fragment canonicalization and stereochemistry handling. The platform is written in Python and based on the RDKit toolkit. It is freely available from https://github.com/rdkit/mmpdb .

  12. Identification of the sources of primary organic aerosols at urban schools: A molecular marker approach

    International Nuclear Information System (INIS)

    Crilley, Leigh R.; Qadir, Raeed M.; Ayoko, Godwin A.; Schnelle-Kreis, Jürgen; Abbaszade, Gülcin; Orasche, Jürgen; Zimmermann, Ralf; Morawska, Lidia

    2014-01-01

    Children are particularly susceptible to air pollution and schools are examples of urban microenvironments that can account for a large portion of children's exposure to airborne particles. Thus this paper aimed to determine the sources of primary airborne particles that children are exposed to at school by analyzing selected organic molecular markers at 11 urban schools in Brisbane, Australia. Positive matrix factorization analysis identified four sources at the schools: vehicle emissions, biomass burning, meat cooking and plant wax emissions accounting for 45%, 29%, 16% and 7%, of the organic carbon respectively. Biomass burning peaked in winter due to prescribed burning of bushland around Brisbane. Overall, the results indicated that both local (traffic) and regional (biomass burning) sources of primary organic aerosols influence the levels of ambient particles that children are exposed at the schools. These results have implications for potential control strategies for mitigating exposure at schools. - Highlights: • Selected organic molecular markers at 11 urban schools were analyzed. • Four sources of primary organic aerosols were identified by PMF at the schools. • Both local and regional sources were found to influence exposure at the schools. • The results have implications for mitigation of children's exposure at schools. - The identification of the most important sources of primary organic aerosols at urban schools has implications for control strategies for mitigating children's exposure at schools

  13. DNA detection and single nucleotide mutation identification using SERS for molecular diagnostics and global health

    Science.gov (United States)

    Ngo, Hoan T.; Gandra, Naveen; Fales, Andrew M.; Taylor, Steve M.; Vo-Dinh, Tuan

    2017-02-01

    Nucleic acid-based molecular diagnostics at the point-of-care (POC) and in resource-limited settings is still a challenge. We present a sensitive yet simple DNA detection method with single nucleotide polymorphism (SNP) identification capability. The detection scheme involves sandwich hybridization of magnetic beads conjugated with capture probes, target sequences, and ultrabright surface-enhanced Raman Scattering (SERS) nanorattles conjugated with reporter probes. Upon hybridization, the sandwich probes are concentrated at the detection focus controlled by a magnetic system for SERS measurements. The ultrabright SERS nanorattles, consisting of a core and a shell with resonance Raman reporters loaded in the gap space between the core and the shell, serve as SERS tags for ultrasensitive signal detection. Specific DNA sequences of the malaria parasite Plasmodium falciparum and dengue virus 1 (DENV1) were used as the model marker system. Detection limit of approximately 100 attomoles was achieved. Single nucleotide polymorphism (SNP) discrimination of wild type malaria DNA and mutant malaria DNA, which confers resistance to artemisinin drugs, was also demonstrated. The results demonstrate the molecular diagnostic potential of the nanorattle-based method to both detect and genotype infectious pathogens. The method's simplicity makes it a suitable candidate for molecular diagnosis at the POC and in resource-limited settings.

  14. Simultaneous optical coherence tomography and lipofuscin autofluorescence imaging of the retina with a single broadband light source at 480nm.

    Science.gov (United States)

    Jiang, Minshan; Liu, Tan; Liu, Xiaojing; Jiao, Shuliang

    2014-12-01

    We accomplished spectral domain optical coherence tomography and auto-fluorescence microscopy for imaging the retina with a single broadband light source centered at 480 nm. This technique is able to provide simultaneous structural imaging and lipofuscin molecular contrast of the retina. Since the two imaging modalities are provided by the same group of photons, their images are intrinsically registered. To test the capabilities of the technique we periodically imaged the retinas of the same rats for four weeks. The images successfully demonstrated lipofuscin accumulation in the retinal pigment epithelium with aging. The experimental results showed that the dual-modal imaging system can be a potentially powerful tool in the study of age-related degenerative retinal diseases.

  15. Computational exploration of single-protein mechanics by steered molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sotomayor, Marcos [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio (United States)

    2015-12-31

    Hair cell mechanotransduction happens in tens of microseconds, involves forces of a few picoNewtons, and is mediated by nanometer-scale molecular conformational changes. As proteins involved in this process become identified and their high resolution structures become available, multiple tools are being used to explore their “single-molecule responses” to force. Optical tweezers and atomic force microscopy offer exquisite force and extension resolution, but cannot reach the high loading rates expected for high frequency auditory stimuli. Molecular dynamics (MD) simulations can reach these fast time scales, and also provide a unique view of the molecular events underlying protein mechanics, but its predictions must be experimentally verified. Thus a combination of simulations and experiments might be appropriate to study the molecular mechanics of hearing. Here I review the basics of MD simulations and the different methods used to apply force and study protein mechanics in silico. Simulations of tip link proteins are used to illustrate the advantages and limitations of this method.

  16. The Influence of Single Nucleotide Polymorphism Microarray-Based Molecular Karyotype on Preimplantation Embryonic Development Potential.

    Directory of Open Access Journals (Sweden)

    Gang Li

    Full Text Available In order to investigate the influence of the molecular karyotype based on single nucleotide polymorphism (SNP microarray on embryonic development potential in preimplantation genetic diagnosis (PGD, we retrospectively analyzed the clinical data generated by PGD using embryos retrieved from parents with chromosome rearrangements in our center. In total, 929 embryos from 119 couples had exact diagnosis and development status. The blastocyst formation rate of balanced molecular karyotype embryos was 56.6% (276/488, which was significantly higher than that of genetic imbalanced embryos 24.5% (108/441 (P35 respectively. Blastocyst formation rates of male and female embryos were 44.5% (183/411 and 38.8% (201/518 respectively, with no significant difference between them (P>0.05. The rates of balanced molecular karyotype embryos vary from groups of embryos with different cell numbers at 68 hours after insemination. The blastocyst formation rate of embryos with 6-8 cells (48.1% was significantly higher than that of embryos with 8 cells (42.9% (P8 cells, embryos with 6-8 blastomeres have higher rate of balanced molecular karyotype and blastocyst formation.

  17. Single amino acid substitution in important hemoglobinopathies does not disturb molecular function and biological process

    Directory of Open Access Journals (Sweden)

    Viroj Wiwanitkit

    2008-06-01

    Full Text Available Viroj WiwanitkitDepartment of Laboratory Medicine, Faculty of Medicine, Chulalongkorn University, Bangkok, ThailandAbstract: Hemoglobin is an important protein found in the red cells of many animals. In humans, the hemoglobin is mainly distributed in the red blood cell. Single amino acid substitution is the main pathogenesis of most hemoglobin disorders. Here, the author used a new gene ontology technology to predict the molecular function and biological process of four important hemoglobin disorders with single substitution. The four studied important abnormal hemoglobins (Hb with single substitution included Hb S, Hb E, Hb C, and Hb J-Baltimore. Using the GoFigure server, the molecular function and biological process in normal and abnormal hemoglobins was predicted. Compared with normal hemoglobin, all studied abnormal hemoglobins had the same function and biological process. This indicated that the overall function of oxygen transportation is not disturbed in the studied hemoglobin disorders. Clinical findings of oxygen depletion in abnormal hemoglobin should therefore be due to the other processes rather than genomics, proteomics, and expression levels.Keywords: hemoglobin, amino acid, substitution, function

  18. Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques.

    Science.gov (United States)

    Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M; Prates, Luciana L; Yu, Peiqiang

    2017-08-05

    The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HED N/OM ), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. On-demand generation of background-free single photons from a solid-state source

    Science.gov (United States)

    Schweickert, Lucas; Jöns, Klaus D.; Zeuner, Katharina D.; Covre da Silva, Saimon Filipe; Huang, Huiying; Lettner, Thomas; Reindl, Marcus; Zichi, Julien; Trotta, Rinaldo; Rastelli, Armando; Zwiller, Val

    2018-02-01

    True on-demand high-repetition-rate single-photon sources are highly sought after for quantum information processing applications. However, any coherently driven two-level quantum system suffers from a finite re-excitation probability under pulsed excitation, causing undesirable multi-photon emission. Here, we present a solid-state source of on-demand single photons yielding a raw second-order coherence of g(2 )(0 )=(7.5 ±1.6 )×10-5 without any background subtraction or data processing. To this date, this is the lowest value of g(2 )(0 ) reported for any single-photon source even compared to the previously reported best background subtracted values. We achieve this result on GaAs/AlGaAs quantum dots embedded in a low-Q planar cavity by employing (i) a two-photon excitation process and (ii) a filtering and detection setup featuring two superconducting single-photon detectors with ultralow dark-count rates of (0.0056 ±0.0007 ) s-1 and (0.017 ±0.001 ) s-1, respectively. Re-excitation processes are dramatically suppressed by (i), while (ii) removes false coincidences resulting in a negligibly low noise floor.

  20. Interaction of molecular oxygen with single wall nanotubes: Role of surfactant contamination

    International Nuclear Information System (INIS)

    Larciprete, R.; Goldoni, A.; Lizzit, S.

    2003-01-01

    The interaction of molecular oxygen with single wall nanotubes in the form of a commercial bucky paper was investigated by high resolution photoemission spectroscopy. Sodium contamination was found in the sample, which was completely removed only after prolonged heating at 1250 K. The C 1s core level spectrum measured on the sample annealed to 1020 K dramatically changed upon exposure to molecular oxygen. On the contrary, when exposing the Na-free SWNTs to several KL of O 2 , the sample remained oxygen free and no modification in the C 1s core level was observed. Therefore the observed sensitivity of the sample to O 2 was due to a Na mediated oxidation, determining a charge transfer from the C tubes to the Na-O complex

  1. Time-domain single-source integral equations for analyzing scattering from homogeneous penetrable objects

    KAUST Repository

    Valdés, Felipe

    2013-03-01

    Single-source time-domain electric-and magnetic-field integral equations for analyzing scattering from homogeneous penetrable objects are presented. Their temporal discretization is effected by using shifted piecewise polynomial temporal basis functions and a collocation testing procedure, thus allowing for a marching-on-in-time (MOT) solution scheme. Unlike dual-source formulations, single-source equations involve space-time domain operator products, for which spatial discretization techniques developed for standalone operators do not apply. Here, the spatial discretization of the single-source time-domain integral equations is achieved by using the high-order divergence-conforming basis functions developed by Graglia alongside the high-order divergence-and quasi curl-conforming (DQCC) basis functions of Valdés The combination of these two sets allows for a well-conditioned mapping from div-to curl-conforming function spaces that fully respects the space-mapping properties of the space-time operators involved. Numerical results corroborate the fact that the proposed procedure guarantees accuracy and stability of the MOT scheme. © 2012 IEEE.

  2. Near-infrared sources in the molecular cloud G35.2-0.74

    International Nuclear Information System (INIS)

    Tapia, M.; Roth, M.; Persi, P.; Ferrari-Toniolo, M.

    1985-01-01

    Near-infrared (1-4 μm) observations of the molecular cloud G35.2-0.74 reveal the presence of four infrared sources in the vicinity of two previously reported centres of recent star formation. The northern part of G35.2-0.74 contains three point sources which are interpreted as highly obscured stars. Irs 1 coincides with H 2 O and OH maser sources and seems to be a very young early-type star. The southern part of G35.2-0.74 shows a diffuse 2.2-μm source with a flux distribution in the short-wavelength region compatible with free-free emission and a large excess at lambda > or approx. 3 μm attributed to warm dust mixed with the gas. These data are consistent with a fully developed HII region. (author)

  3. Source-sink interaction: a century old concept under the light of modern molecular systems biology.

    Science.gov (United States)

    Chang, Tian-Gen; Zhu, Xin-Guang; Raines, Christine

    2017-07-20

    Many approaches to engineer source strength have been proposed to enhance crop yield potential. However, a well-co-ordinated source-sink relationship is required finally to realize the promised increase in crop yield potential in the farmer's field. Source-sink interaction has been intensively studied for decades, and a vast amount of knowledge about the interaction in different crops and under different environments has been accumulated. In this review, we first introduce the basic concepts of source, sink and their interactions, then summarize current understanding of how source and sink can be manipulated through both environmental control and genetic manipulations. We show that the source-sink interaction underlies the diverse responses of crops to the same perturbations and argue that development of a molecular systems model of source-sink interaction is required towards a rational manipulation of the source-sink relationship for increased yield. We finally discuss both bottom-up and top-down routes to develop such a model and emphasize that a community effort is needed for development of this model. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  4. The Atomic, Molecular and Optical Science instrument at the Linac Coherent Light Source

    Energy Technology Data Exchange (ETDEWEB)

    Ferguson, Ken R. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Department of Applied Physics, Stanford University, 348 Via Pueblo, Stanford, CA 94305 (United States); Bucher, Maximilian; Bozek, John D.; Carron, Sebastian; Castagna, Jean-Charles [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Coffee, Ryan [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Pulse Institute, Stanford University and SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Curiel, G. Ivan; Holmes, Michael; Krzywinski, Jacek; Messerschmidt, Marc; Minitti, Michael; Mitra, Ankush; Moeller, Stefan; Noonan, Peter; Osipov, Timur; Schorb, Sebastian; Swiggers, Michele; Wallace, Alexander; Yin, Jing [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Bostedt, Christoph, E-mail: bostedt@slac.stanford.edu [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Pulse Institute, Stanford University and SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States)

    2015-04-17

    A description of the Atomic, Molecular and Optical Sciences (AMO) instrument at the Linac Coherent Light Source is presented. Recent scientific highlights illustrate the imaging, time-resolved spectroscopy and high-power density capabilities of the AMO instrument. The Atomic, Molecular and Optical Science (AMO) instrument at the Linac Coherent Light Source (LCLS) provides a tight soft X-ray focus into one of three experimental endstations. The flexible instrument design is optimized for studying a wide variety of phenomena requiring peak intensity. There is a suite of spectrometers and two photon area detectors available. An optional mirror-based split-and-delay unit can be used for X-ray pump–probe experiments. Recent scientific highlights illustrate the imaging, time-resolved spectroscopy and high-power density capabilities of the AMO instrument.

  5. The Advanced Light Source: A new tool for research in atomic and molecular physics

    International Nuclear Information System (INIS)

    Schlachter, F.; Robinson, A.

    1991-04-01

    The Advanced Light Source at the Lawrence Berkeley Laboratory will be the world's brightest synchrotron radiation source in the extreme ultraviolet and soft x-ray regions of the spectrum when it begins operation in 1993. It will be available as a national user facility to researchers in a broad range of disciplines, including materials science, atomic and molecular physics, chemistry, biology, imaging, and technology. The high brightness of the ALS will be particularly well suited to high-resolution studies of tenuous targets, such as excited atoms, ions, and clusters. 13 figs., 4 tabs

  6. Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers

    OpenAIRE

    Taïbi, Khaled; Campo, Antonio D. del; Vilagrosa Carmona, Alberto; Bellés, José M.; López-Gresa, María Pilar; Pla, Davinia; Calvete, Juan J.; López-Nicolás, José M.; Mulet, José M.

    2017-01-01

    Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine) seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of pre...

  7. Dye molecules as single-photon sources and large optical nonlinearities on a chip

    International Nuclear Information System (INIS)

    Hwang, J; Hinds, E A

    2011-01-01

    We point out that individual organic dye molecules, deposited close to optical waveguides on a photonic chip, can act as single-photon sources. A thin silicon nitride strip waveguide is expected to collect 28% of the photons from a single dibenzoterrylene molecule. These molecules can also provide large, localized optical nonlinearities, which are enough to discriminate between one photon or two through a differential phase shift of 2 0 per photon. This new atom-photon interface may be used as a resource for processing quantum information.

  8. [Prediction of the molecular response to pertubations from single cell measurements].

    Science.gov (United States)

    Remacle, Françoise; Levine, Raphael D

    2014-12-01

    The response of protein signalization networks to perturbations is analysed from single cell measurements. This experimental approach allows characterizing the fluctuations in protein expression levels from cell to cell. The analysis is based on an information theoretic approach grounded in thermodynamics leading to a quantitative version of Le Chatelier principle which allows to predict the molecular response. Two systems are investigated: human macrophages subjected to lipopolysaccharide challenge, analogous to the immune response against Gram-negative bacteria and the response of the proteins involved in the mTOR signalizing network of GBM cancer cells to changes in partial oxygen pressure. © 2014 médecine/sciences – Inserm.

  9. In Vitro Selection of a Single-Stranded DNA Molecular Recognition Element Specific for Bromacil

    Directory of Open Access Journals (Sweden)

    Ryan M. Williams

    2014-01-01

    Full Text Available Bromacil is a widely used herbicide that is known to contaminate environmental systems. Due to the hazards it presents and inefficient detection methods, it is necessary to create a rapid and efficient sensing device. Towards this end, we have utilized a stringent in vitro selection method to identify single-stranded DNA molecular recognition elements (MRE specific for bromacil. We have identified one MRE with high affinity (Kd=9.6 nM and specificity for bromacil compared to negative targets of selection and other pesticides. The selected ssDNA MRE will be useful as the sensing element in a field-deployable bromacil detection device.

  10. Molecular dynamics simulation of AFM studies of a single polymer chain

    International Nuclear Information System (INIS)

    Wang Wenhai; Kistler, Kurt A.; Sadeghipour, Keya; Baran, George

    2008-01-01

    Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks

  11. Molecular dynamics simulation of AFM studies of a single polymer chain

    Energy Technology Data Exchange (ETDEWEB)

    Wang Wenhai [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Kistler, Kurt A. [Department of Chemistry, Temple University, 1901 N. 13th Street, Philadelphia, PA 19122 (United States); Sadeghipour, Keya [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Baran, George [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States)], E-mail: grbaran@temple.edu

    2008-11-24

    Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks.

  12. Quantum tunneling of magnetization in single molecular magnets coupled to ferromagnetic reservoirs

    Science.gov (United States)

    Misiorny, M.; Barnas, J.

    2007-04-01

    The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization. The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction of SMM and electrons in the leads is shown to affect the spin reversal due to quantum tunneling of magnetization. It is shown that the switching is associated with transfer of a certain charge between the leads.

  13. Gearbox Fault Diagnosis in a Wind Turbine Using Single Sensor Based Blind Source Separation

    Directory of Open Access Journals (Sweden)

    Yuning Qian

    2016-01-01

    Full Text Available This paper presents a single sensor based blind source separation approach, namely, the wavelet-assisted stationary subspace analysis (WSSA, for gearbox fault diagnosis in a wind turbine. Continuous wavelet transform (CWT is used as a preprocessing tool to decompose a single sensor measurement data into a set of wavelet coefficients to meet the multidimensional requirement of the stationary subspace analysis (SSA. The SSA is a blind source separation technique that can separate the multidimensional signals into stationary and nonstationary source components without the need for independency and prior information of the source signals. After that, the separated nonstationary source component with the maximum kurtosis value is analyzed by the enveloping spectral analysis to identify potential fault-related characteristic frequencies. Case studies performed on a wind turbine gearbox test system verify the effectiveness of the WSSA approach and indicate that it outperforms independent component analysis (ICA and empirical mode decomposition (EMD, as well as the spectral-kurtosis-based enveloping, for wind turbine gearbox fault diagnosis.

  14. Highly efficient electron gun with a single-atom electron source

    International Nuclear Information System (INIS)

    Ishikawa, Tsuyoshi; Urata, Tomohiro; Cho, Boklae; Rokuta, Eiji; Oshima, Chuhei; Terui, Yoshinori; Saito, Hidekazu; Yonezawa, Akira; Tsong, Tien T.

    2007-01-01

    The authors have demonstrated highly collimated electron-beam emission from a practical electron gun with a single-atom electron source; ∼80% of the total emission current entered the electron optics. This ratio was two or three orders of magnitude higher than those of the conventional electron sources such as a cold field emission gun and a Zr/O/W Schottky gun. At the pressure of less than 1x10 -9 Pa, the authors observed stable emission of 20 nA, which generates the specimen current of 5 pA required for scanning electron microscopes

  15. Interference with a quantum dot single-photon source and a laser at telecom wavelength

    Energy Technology Data Exchange (ETDEWEB)

    Felle, M. [Toshiba Research Europe Limited, Cambridge Research Laboratory, 208 Cambridge Science Park, Milton Road, Cambridge CB4 0GZ (United Kingdom); Centre for Advanced Photonics and Electronics, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0FA (United Kingdom); Huwer, J., E-mail: jan.huwer@crl.toshiba.co.uk; Stevenson, R. M.; Skiba-Szymanska, J.; Ward, M. B.; Shields, A. J. [Toshiba Research Europe Limited, Cambridge Research Laboratory, 208 Cambridge Science Park, Milton Road, Cambridge CB4 0GZ (United Kingdom); Farrer, I.; Ritchie, D. A. [Cavendish Laboratory, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Penty, R. V. [Centre for Advanced Photonics and Electronics, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0FA (United Kingdom)

    2015-09-28

    The interference of photons emitted by dissimilar sources is an essential requirement for a wide range of photonic quantum information applications. Many of these applications are in quantum communications and need to operate at standard telecommunication wavelengths to minimize the impact of photon losses and be compatible with existing infrastructure. Here, we demonstrate for the first time the quantum interference of telecom-wavelength photons from an InAs/GaAs quantum dot single-photon source and a laser; an important step towards such applications. The results are in good agreement with a theoretical model, indicating a high degree of indistinguishability for the interfering photons.

  16. Interference with a quantum dot single-photon source and a laser at telecom wavelength

    International Nuclear Information System (INIS)

    Felle, M.; Huwer, J.; Stevenson, R. M.; Skiba-Szymanska, J.; Ward, M. B.; Shields, A. J.; Farrer, I.; Ritchie, D. A.; Penty, R. V.

    2015-01-01

    The interference of photons emitted by dissimilar sources is an essential requirement for a wide range of photonic quantum information applications. Many of these applications are in quantum communications and need to operate at standard telecommunication wavelengths to minimize the impact of photon losses and be compatible with existing infrastructure. Here, we demonstrate for the first time the quantum interference of telecom-wavelength photons from an InAs/GaAs quantum dot single-photon source and a laser; an important step towards such applications. The results are in good agreement with a theoretical model, indicating a high degree of indistinguishability for the interfering photons

  17. Moving source localization with a single hydrophone using multipath time delays in the deep ocean.

    Science.gov (United States)

    Duan, Rui; Yang, Kunde; Ma, Yuanliang; Yang, Qiulong; Li, Hui

    2014-08-01

    Localizing a source of radial movement at moderate range using a single hydrophone can be achieved in the reliable acoustic path by tracking the time delays between the direct and surface-reflected arrivals (D-SR time delays). The problem is defined as a joint estimation of the depth, initial range, and speed of the source, which are the state parameters for the extended Kalman filter (EKF). The D-SR time delays extracted from the autocorrelation functions are the measurements for the EKF. Experimental results using pseudorandom signals show that accurate localization results are achieved by offline iteration of the EKF.

  18. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)

    2016-08-08

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  19. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Science.gov (United States)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-08-01

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

  20. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    International Nuclear Information System (INIS)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-01-01

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  1. Innovative molecular-based fluorescent nanoparticles for multicolor single particle tracking in cells

    International Nuclear Information System (INIS)

    Daniel, Jonathan; Blanchard-Desce, Mireille; Godin, Antoine G; Palayret, Matthieu; Lounis, Brahim; Cognet, Laurent

    2016-01-01

    Based on an original molecular-based design, we present bright and photostable fluorescent organic nanoparticles (FONs) showing excellent colloidal stability in various aqueous environments. Complementary near-infrared emitting and green emitting FONs were prepared using a simple, fast and robust protocol. Both types of FONs could be simultaneously imaged at the single-particle level in solution as well as in biological environments using a monochromatic excitation and a dual-color fluorescence microscope. No evidence of acute cytotoxicity was found upon incubation of live cells with mixed solutions of FONs, and both types of nanoparticles were found internalized in the cells where their motion could be simultaneously tracked at video-rate up to minutes. These fluorescent organic nanoparticles open a novel non-toxic alternative to existing nanoparticles for imaging biological structures, compatible with live-cell experiments and specially fitted for multicolor single particle tracking. (paper)

  2. p-type ZnO films with solid-source phosphorus doping by molecular-beam epitaxy

    International Nuclear Information System (INIS)

    Xiu, F.X.; Yang, Z.; Mandalapu, L.J.; Liu, J.L.; Beyermann, W. P.

    2006-01-01

    Phosphorus-doped p-type ZnO films were grown on r-plane sapphire substrates using molecular-beam epitaxy with a solid-source GaP effusion cell. X-ray diffraction spectra and reflection high-energy electron diffraction patterns indicate that high-quality single crystalline (1120) ZnO films were obtained. Hall and resistivity measurements show that the phosphorus-doped ZnO films have high hole concentrations and low resistivities at room temperature. Photoluminescence (PL) measurements at 8 K reveal a dominant acceptor-bound exciton emission with an energy of 3.317 eV. The acceptor energy level of the phosphorus dopant is estimated to be 0.18 eV above the valence band from PL spectra, which is also consistent with the temperature dependence of PL measurements

  3. Soft X-Ray Microscopy and Spectroscopy at the Molecular Environmental Science Beamline at the Advanced Light Source

    Energy Technology Data Exchange (ETDEWEB)

    Bluhm, Hendrik; Andersson, Klas J.; Araki, Tohru; Benzerara, Karim; Brown, Gordon E.; Dynes, Jay J.; Ghosal, Sutapa; Gilles, Mary K.; Hansen, Hans C.; Hemminger, J. C.; Hitchcock, Adam P.; Ketteler, Guido; Kilcoyne, Arthur L.; Kneedler, Eric M.; Lawrence, John R.; Leppard, Gary G.; Majzlam, Juraj; Mun, B. S.; Myneni, Satish C.; Nilsson, Anders R.; Ogasawara, Hirohito; Ogletree, D. F.; Pecher, Klaus H.; Salmeron, Miquel B.; Shuh, David K.; Tonner, Brian; Tyliszczak, Tolek; Warwick, Tony; Yoon, T. H.

    2006-02-01

    We present examples of the application of synchrotron-based spectroscopies and microscopies to environmentally-relevant samples. The experiments were performed at the Molecular Environmental Science beamline (11.0.2) at the Advanced Light Source, Lawrence Berkeley National Laboratory. Examples range from the study of water monolayers on Pt(111) single crystal surfaces using X-ray emission spectroscopy and the examination of alkali halide solution/water vapor interfaces using ambient pressure photoemission spectroscopy, to the investigation of actinides, river-water biofilms, Al-containing colloids and mineral-bacteria suspensions using scanning transmission X-ray spectromicroscopy. The results of our experiments show that spectroscopy and microscopy in the soft X-ray energy range are excellent tools for the investigation of environmentally relevant samples under realistic conditions, i.e. with water or water vapor present at ambient temperature.

  4. DBD plasma source operated in single-filamentary mode for therapeutic use in dermatology

    Energy Technology Data Exchange (ETDEWEB)

    Rajasekaran, Priyadarshini; Mertmann, Philipp; Bibinov, Nikita; Awakowicz, Peter [Institute for Electrical Engineering and Plasma Technology, Ruhr-Universitaet Bochum, Universitaetsstr. 150, 44801 Bochum (Germany); Wandke, Dirk [CINOGY GmbH, Max-Naeder-Str. 15, 37114 Duderstadt (Germany); Vioel, Wolfgang, E-mail: rajasekaran@aept.rub.d, E-mail: mertmann@aept.rub.d, E-mail: Nikita.Bibinov@rub.d, E-mail: dirk.wandke@cinogy.co, E-mail: vioel@hawk-hhg.d, E-mail: awakowicz@aept.rub.d [University of Applied Sciences and Arts, Faculty of Natural Sciences and Technology, Von-Ossietzky-Str. 99, 37085 Goettingen (Germany)

    2009-11-21

    Our dielectric barrier discharge (DBD) plasma source for bio-medical application comprises a copper electrode covered with ceramic. Objects of high capacitance such as the human body can be used as the opposite electrode. In this study, the DBD source is operated in single-filamentary mode using an aluminium spike as the opposite electrode, to imitate the conditions when the discharge is ignited on a raised point, such as hair, during therapeutic use on the human body. The single-filamentary discharge thus obtained is characterized using optical emission spectroscopy, numerical simulation, voltage-current measurements and microphotography. For characterization of the discharge, averaged plasma parameters such as electron distribution function and electron density are determined. Fluxes of nitric oxide (NO), ozone (O{sub 3}) and photons reaching the treated surface are simulated. The calculated fluxes are finally compared with corresponding fluxes used in different bio-medical applications.

  5. A hybrid algorithm for stochastic single-source capacitated facility location problem with service level requirements

    Directory of Open Access Journals (Sweden)

    Hosseinali Salemi

    2016-04-01

    Full Text Available Facility location models are observed in many diverse areas such as communication networks, transportation, and distribution systems planning. They play significant role in supply chain and operations management and are one of the main well-known topics in strategic agenda of contemporary manufacturing and service companies accompanied by long-lasting effects. We define a new approach for solving stochastic single source capacitated facility location problem (SSSCFLP. Customers with stochastic demand are assigned to set of capacitated facilities that are selected to serve them. It is demonstrated that problem can be transformed to deterministic Single Source Capacitated Facility Location Problem (SSCFLP for Poisson demand distribution. A hybrid algorithm which combines Lagrangian heuristic with adjusted mixture of Ant colony and Genetic optimization is proposed to find lower and upper bounds for this problem. Computational results of various instances with distinct properties indicate that proposed solving approach is efficient.

  6. Calibrate the aerial surveying instrument by the limited surface source and the single point source that replace the unlimited surface source

    International Nuclear Information System (INIS)

    Lu Cunheng

    1999-01-01

    It is described that the calculating formula and surveying result is found on the basis of the stacking principle of gamma ray and the feature of hexagonal surface source when the limited surface source replaces the unlimited surface source to calibrate the aerial survey instrument on the ground, and that it is found in the light of the exchanged principle of the gamma ray when the single point source replaces the unlimited surface source to calibrate aerial surveying instrument in the air. Meanwhile through the theoretical analysis, the receiving rate of the crystal bottom and side surfaces is calculated when aerial surveying instrument receives gamma ray. The mathematical expression of the gamma ray decaying following height according to the Jinge function regularity is got. According to this regularity, the absorbing coefficient that air absorbs the gamma ray and the detective efficiency coefficient of the crystal is calculated based on the ground and air measuring value of the bottom surface receiving count rate (derived from total receiving count rate of the bottom and side surface). Finally, according to the measuring value, it is proved that imitating the change of total receiving gamma ray exposure rate of the bottom and side surfaces with this regularity in a certain high area is feasible

  7. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 CHCD 3 , using [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] scrambles the D-label into all possible positions of the propene, as shown by isotopic perturbation of equilibrium measurements for the agostic interaction. Periodic DFT calculations show a low barrier to H/D exchange (10.9 kcal mol -1 , PBE-D3 level), and GIPAW chemical shift calculations guide the assignment of the experimental data. When synthesized using solution routes a bis-propene complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene) 2 ][BAr F 4 ] , is formed. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(butene)][BAr F 4 ] ( x = 1) is characterized as having 2-butene bound as the cis -isomer and a single Rh···H 3 C agostic interaction. In the solid-state two low-energy fluxional processes are proposed. The first is a simple libration of the 2-butene that exchanges the agostic interaction, and the second is a butene isomerization process that proceeds via an allyl-hydride intermediate with a low computed barrier of 14.5 kcal mol -1 . [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] and the polymorphs of [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ] are shown to be effective in solid-state molecular organometallic catalysis (SMOM-Cat) for the isomerization of 1-butene to a mixture of cis - and trans -2-butene at 298 K and 1 atm, and studies suggest that catalysis is likely dominated by surface-active species. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA

  8. Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.

    2017-02-03

    Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.

  9. Latent Membrane Protein 1 as a molecular adjuvant for single-cycle lentiviral vaccines

    Directory of Open Access Journals (Sweden)

    Rahmberg Andrew R

    2011-05-01

    Full Text Available Abstract Background Molecular adjuvants are a promising method to enhance virus-specific immune responses and protect against HIV-1 infection. Immune activation by ligands for receptors such as CD40 can induce dendritic cell activation and maturation. Here we explore the incorporation of two CD40 mimics, Epstein Barr Virus gene LMP1 or an LMP1-CD40 chimera, into a strain of SIV that was engineered to be limited to a single cycle of infection. Results Full length LMP1 or the chimeric protein LMP1-CD40 was cloned into the nef-locus of single-cycle SIV. Human and Macaque monocyte derived macrophages and DC were infected with these viruses. Infected cells were analyzed for activation surface markers by flow cytometry. Cells were also analyzed for secretion of pro-inflammatory cytokines IL-1β, IL-6, IL-8, IL-12p70 and TNF by cytometric bead array. Conclusions Overall, single-cycle SIV expressing LMP1 and LMP1-CD40 produced a broad and potent TH1-biased immune response in human as well as rhesus macaque macrophages and DC when compared with control virus. Single-cycle SIV-LMP1 also enhanced antigen presentation by lentiviral vector vaccines, suggesting that LMP1-mediated immune activation may enhance lentiviral vector vaccines against HIV-1.

  10. Quantum Interference between Autonomous Single-Photon Sources from Doppler-Broadened Atomic Ensemble

    OpenAIRE

    Jeong, Teak; Lee, Yoon-Seok; Park, Jiho; Kim, Heonoh; Moon, Han Seb

    2017-01-01

    To realize a quantum network based on quantum entanglement swapping, bright and completely autonomous sources are essentially required. Here, we experimentally demonstrate Hong-Ou-Mandel (HOM) quantum interference between two independent bright photon pairs generated via the spontaneous four-wave mixing in Doppler-broadened ladder-type 87Rb atoms. Bright autonomous heralded single photons are operated in a continuous-wave (CW) mode with no synchronization or supplemental filters. The four-fol...

  11. Removal of Direct Current Link Harmonic Ripple in Single Phase Voltage Source Inverter Systems Using Supercapacitors

    Science.gov (United States)

    2016-09-01

    Khaligh, “Optimization of sizing and battery cycle life in battery/ultracapacitor hybrid energy storage systems for electric vehicle applications...depth cycling operation in photovoltaic system ,” in 22nd International Conference “Mixed Design of Integrated Circuits and Systems ,” Toruń, Poland...CURRENT LINK HARMONIC RIPPLE IN SINGLE-PHASE VOLTAGE SOURCE INVERTER SYSTEMS USING SUPERCAPACITORS by Gabriel D. Hernandez September 2016

  12. All-periodically poled, high-power, continuous-wave, single-frequency tunable UV source.

    Science.gov (United States)

    Aadhi, A; Chaitanya N, Apurv; Jabir, M V; Singh, R P; Samanta, G K

    2015-01-01

    We report on experimental demonstration of an all-periodically poled, continuous-wave (CW), high-power, single-frequency, ultra-violet (UV) source. Based on internal second-harmonic-generation (SHG) of a CW singly resonant optical parametric oscillator (OPO) pumped in the green, the UV source provides tunable radiation across 398.94-417.08 nm. The compact source comprising of a 25-mm-long MgO-doped periodically poled stoichiometric lithium tantalate (MgO:sPPLT) crystal of period Λ(SLT)=8.5  μm for OPO and a 5-mm-long, multi-grating (Λ(KTP)=3.3, 3.4, 3.6 and 3.8 μm), periodically poled potassium titanium phosphate (PPKTP) for intra-cavity SHG, provides as much as 336 mW of UV power at 398.94 nm, corresponding to a green-to-UV conversion efficiency of ∼6.7%. In addition, the singly resonant OPO (SRO) provides 840 mW of idler at 1541.61 nm and substantial signal power of 108 mW at 812.33 nm transmitted through the high reflective cavity mirrors. UV source provides single-frequency radiation with instantaneous line-width of ∼18.3  MHz and power >100  mW in Gaussian beam profile (ellipticity >92%) across the entire tuning range. Access to lower UV wavelengths requires smaller grating periods to compensate high phase-mismatch resulting from high material dispersion in the UV wavelength range. Additionally, we have measured the normalized temperature and spectral acceptance bandwidth of PPKTP crystal in the UV wavelength range to be ∼2.25°C·cm and ∼0.15  nm·cm, respectively.

  13. Mode Engineering of Single Photons from Cavity Spontaneous Parametric Down-Conversion Source and Quantum Dots

    Science.gov (United States)

    Paudel, Uttam

    Over the past decade, much effort has been made in identifying and characterizing systems that can form a building block of quantum networks, among which semiconductor quantum dots (QD) and spontaneous parametric down-conversion (SPDC) source are two of the most promising candidates. The work presented in this thesis will be centered on investigating and engineering the mentioned systems for generating customizable single photons. A type-II SPDC source can generate a highly flexible pair of entangled photons that can be used to interface disparate quantum systems. In this thesis, we have successfully implemented a cavity-SPDC source that emits polarization correlated photons at 942 nm with a lifetime of 950-1050ps that mode matches closely with InAs/GaAs QD photons. The source emits 80 photon pairs per second per mW pump power within the 150MHz bandwidth. Though the detection of idler photons, the source is capable of emitting heralded photons with g2?0.5 for up to 40 mW pump power. For a low pump power of 5 mW, the heralded g2 is 0.06, indicating that the system is an excellent heralded single photon source. By directly exciting a single QD with cavity-SPDC photons, we have demonstrated a heralded-absorption of SPDC photons by QD, resulting in the coupling of the two systems. Due to the large pump bandwidth, the emitted source is highly multimode in nature, requiring us to post-filter the downconverted field, resulting in a lower photon pair emission rate. We propose placing an intra-cavity etalon to suppress the multi-mode emissions and increase the photon count rate. Understanding and experimentally implementing two-photon interference (HOM) measurements will be crucial for building a scalable quantum network. A detailed theoretical description of HOM measurements is given and is experimentally demonstrated using photons emitted by QD. Through HOM measurements we demonstrated that the QD sample in the study is capable of emitting indistinguishable photons, with

  14. Multifragmentation of a very heavy nuclear system (I): selection of single-source events

    Energy Technology Data Exchange (ETDEWEB)

    Frankland, J.D.; Bacri, Ch.O.; Borderie, B. [Paris-11 Univ., Inst. de Physique Nucleaire, 91 - Orsay (France)] [and others

    2000-07-01

    A sample of 'single-source' events, compatible with the multifragmentation of very heavy fused systems, are isolated among well-measured {sup 155}Gd + {sup nat}U 36 A.MeV reactions by examining the evolution of the kinematics of fragments with Z {>=} 5 as a function of the dissipated energy and loss of memory of the entrance channel. Single-source events are found to be the result of very central collisions. Such central collisions may also lead to multiple fragment emission due to the decay of excited projectile- and target-like nuclei and so-called 'neck' emission, and for this reason the isolation of single-source events is very difficult. Event-selection criteria based on centrality of collisions, or on the isotropy of the emitted fragments in each event, are found to be inefficient to separate the two mechanisms, unless they take into account the redistribution of fragments' kinetic energies into directions perpendicular to the beam axis. The selected events are good candidates to look for bulk effects in the multifragmentation process. (authors)

  15. Towards radiocarbon dating of single foraminifera with a gas ion source

    Science.gov (United States)

    Wacker, L.; Lippold, J.; Molnár, M.; Schulz, H.

    2013-01-01

    Carbonate shells from foraminifera are often analysed for radiocarbon to determine the age of deep-sea sediments or to assess radiocarbon reservoir ages. However, a single foraminiferal test typically contains only a few micrograms of carbon, while most laboratories require more than 100 μg for radiocarbon dating with an accelerator mass spectrometry (AMS) system. The collection of the required amount of foraminifera for a single analyses is therefore time consuming and not always possible. Here, we present a convenient method to measure the radiocarbon content of foraminifera using an AMS system fitted with a gas ion source. CO2 is liberated from 150 to 1150 μg of carbonate in septum sealed vials by acid decomposition of the carbonate. The CO2 is collected on a zeolite trap and subsequently transferred to a syringe from where it is delivered to the ion source. A sample of 400 μg (50 μg C) typically gives a 12C- ion source current of 10-15 μA over 20 min, yielding a measurement precision of less than 7 per mil for a modern sample. Using this method, we were able to date a single 560 μg Cibicides pseudoungerianus test at 14,030 ± 160 radiocarbon years. Only a minor modification to our existing gas handling system was required and the system is fully automatable to further reduce the effort involved for sample preparation.

  16. Towards radiocarbon dating of single foraminifera with a gas ion source

    International Nuclear Information System (INIS)

    Wacker, L.; Lippold, J.; Molnár, M.; Schulz, H.

    2013-01-01

    Carbonate shells from foraminifera are often analysed for radiocarbon to determine the age of deep-sea sediments or to assess radiocarbon reservoir ages. However, a single foraminiferal test typically contains only a few micrograms of carbon, while most laboratories require more than 100 μg for radiocarbon dating with an accelerator mass spectrometry (AMS) system. The collection of the required amount of foraminifera for a single analyses is therefore time consuming and not always possible. Here, we present a convenient method to measure the radiocarbon content of foraminifera using an AMS system fitted with a gas ion source. CO 2 is liberated from 150 to 1150 μg of carbonate in septum sealed vials by acid decomposition of the carbonate. The CO 2 is collected on a zeolite trap and subsequently transferred to a syringe from where it is delivered to the ion source. A sample of 400 μg (50 μg C) typically gives a 12 C − ion source current of 10–15 μA over 20 min, yielding a measurement precision of less than 7 per mil for a modern sample. Using this method, we were able to date a single 560 μg Cibicides pseudoungerianus test at 14,030 ± 160 radiocarbon years. Only a minor modification to our existing gas handling system was required and the system is fully automatable to further reduce the effort involved for sample preparation.

  17. Towards radiocarbon dating of single foraminifera with a gas ion source

    Energy Technology Data Exchange (ETDEWEB)

    Wacker, L., E-mail: wacker@phys.ethz.ch [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Lippold, J. [Heidelberg Academy of Sciences, 69120 Heidelberg (Germany); Molnar, M. [Laboratory of Ion Beam Physics, ETH Zurich, 8093 Zurich (Switzerland); Institute of Nuclear Research, Hungarian Academy of Sciences, 4026 Debrecen (Hungary); Schulz, H. [Institute for Geosciencies, University of Tuebingen, 72076 Tuebingen (Germany)

    2013-01-15

    Carbonate shells from foraminifera are often analysed for radiocarbon to determine the age of deep-sea sediments or to assess radiocarbon reservoir ages. However, a single foraminiferal test typically contains only a few micrograms of carbon, while most laboratories require more than 100 {mu}g for radiocarbon dating with an accelerator mass spectrometry (AMS) system. The collection of the required amount of foraminifera for a single analyses is therefore time consuming and not always possible. Here, we present a convenient method to measure the radiocarbon content of foraminifera using an AMS system fitted with a gas ion source. CO{sub 2} is liberated from 150 to 1150 {mu}g of carbonate in septum sealed vials by acid decomposition of the carbonate. The CO{sub 2} is collected on a zeolite trap and subsequently transferred to a syringe from where it is delivered to the ion source. A sample of 400 {mu}g (50 {mu}g C) typically gives a {sup 12}C{sup -} ion source current of 10-15 {mu}A over 20 min, yielding a measurement precision of less than 7 per mil for a modern sample. Using this method, we were able to date a single 560 {mu}g Cibicides pseudoungerianus test at 14,030 {+-} 160 radiocarbon years. Only a minor modification to our existing gas handling system was required and the system is fully automatable to further reduce the effort involved for sample preparation.

  18. Multifragmentation of a very heavy nuclear system (I): selection of single-source events

    International Nuclear Information System (INIS)

    Frankland, J.D.; Bacri, Ch.O.; Borderie, B.; Rivet, M.F.; Squalli, M.; Auger, G.; Bellaize, N.; Bocage, F.; Bougault, R.; Brou, R.; Buchet, Ph.; Chbihi, A.; Colin, J.; Cussol, D.; Dayras, R.; Demeyer, A.; Dore, D.; Durand, D.; Galichet, E.; Genouin-Duhamel, E.; Gerlic, E.; Guinet, D.; Lautesse, Ph.; Laville, J.L.; Lecolley, J.F.; Legrain, R.; Le Neindre, N.; Lopez, O.; Louvel, M.; Maskay, A.M.; Nalpas, L.; Nguyen, A.D.; Parlog, M.; Peter, J.; Plagnol, E.; Rosato, E.; Saint-Laurent, F.; Salou, S.; Steckmeyer, J.C.; Stern, M.; Tabacaru, G.; Tamain, B.; Tirel, O.; Tassan-Got, L.; Vient, E.; Volant, C.; Wieleczko, J.P.

    2001-01-01

    A sample of 'single-source' events, compatible with the multifragmentation of very heavy fused systems, are isolated among well-measured 155 Gd+ nat U 36 A MeV reactions by examining the evolution of the kinematics of fragments with Z≥5 as a function of the dissipated energy and loss of memory of the entrance channel. Single-source events are found to be the result of very central collisions. Such central collisions may also lead to multiple fragment emission due to the decay of excited projectile- and target-like nuclei and so-called 'neck' emission, and for this reason the isolation of single-source events is very difficult. Event-selection criteria based on centrality of collisions, or on the isotropy of the emitted fragments in each event, are found to be inefficient to separate the two mechanisms, unless they take into account the redistribution of fragments' kinetic energies into directions perpendicular to the beam axis. The selected events are good candidates to look for bulk effects in the multifragmentation process

  19. Exposure buildup factors for a cobalt-60 point isotropic source for single and two layer slabs

    International Nuclear Information System (INIS)

    Chakarova, R.

    1992-01-01

    Exposure buildup factors for point isotropic cobalt-60 sources are calculated by the Monte Carlo method with statistical errors ranging from 1.5 to 7% for 1-5 mean free paths (mfp) thick water and iron single slabs and for 1 and 2 mfp iron layers followed by water layers 1-5 mfp thick. The computations take into account Compton scattering. The Monte Carlo data for single slab geometries are approximated by Geometric Progression formula. Kalos's formula using the calculated single slab buildup factors may be applied to reproduce the data for two-layered slabs. The presented results and discussion may help when choosing the manner in which the radiation field gamma irradiation units will be described. (author)

  20. On-demand semiconductor source of 780-nm single photons with controlled temporal wave packets

    Science.gov (United States)

    Béguin, Lucas; Jahn, Jan-Philipp; Wolters, Janik; Reindl, Marcus; Huo, Yongheng; Trotta, Rinaldo; Rastelli, Armando; Ding, Fei; Schmidt, Oliver G.; Treutlein, Philipp; Warburton, Richard J.

    2018-05-01

    We report on a fast, bandwidth-tunable single-photon source based on an epitaxial GaAs quantum dot. Exploiting spontaneous spin-flip Raman transitions, single photons at 780 nm are generated on demand with tailored temporal profiles of durations exceeding the intrinsic quantum dot lifetime by up to three orders of magnitude. Second-order correlation measurements show a low multiphoton emission probability [g2(0 ) ˜0.10 -0.15 ] at a generation rate up to 10 MHz. We observe Raman photons with linewidths as low as 200 MHz, which is narrow compared to the 1.1-GHz linewidth measured in resonance fluorescence. The generation of such narrow-band single photons with controlled temporal shapes at the rubidium wavelength is a crucial step towards the development of an optimized hybrid semiconductor-atom interface.

  1. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  2. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Computational Transport Phenomena Laboratory, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Hoteit, Ibrahim, E-mail: ibrahim.hoteit@kaust.edu.sa [Earth Fluid Modeling and Predicting Group, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Knio, Omar, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Uncertainty Quantification Center, The Applied Mathematics and Computational Science Department, The Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia)

    2016-06-07

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.

  3. Temperature sensitivity of void nucleation and growth parameters for single crystal copper: a molecular dynamics study

    International Nuclear Information System (INIS)

    Rawat, S; Chavan, V M; Warrier, M; Chaturvedi, S

    2011-01-01

    The effect of temperature on the void nucleation and growth is studied using the molecular dynamics (MD) code LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). Single crystal copper is triaxially expanded at 5 × 10 9  s −1 strain rate keeping the temperature constant. It is shown that the nucleation and growth of voids at these atomistic scales follows a macroscopic nucleation and growth (NAG) model. As the temperature increases there is a steady decrease in the nucleation and growth thresholds. As the melting point of copper is approached, a double-dip in the pressure–time profile is observed. Analysis of this double-dip shows that the first minimum corresponds to the disappearance of the long-range order due to the creation of stacking faults and the system no longer has a FCC structure. There is no nucleation of voids at this juncture. The second minimum corresponds to the nucleation and incipient growth of voids. We present the sensitivity of NAG parameters to temperature and the analysis of double-dip in the pressure–time profile for single crystal copper at 1250 K

  4. Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation.

    Science.gov (United States)

    Summers, Andrew Z; Iacovella, Christopher R; Cummings, Peter T; McCabe, Clare

    2017-10-24

    Chemisorbed monolayer films are known to possess favorable characteristics for nanoscale lubrication of micro- and nanoelectromechanical systems (MEMS/NEMS). Prior studies have shown that the friction observed for monolayer-coated surfaces features a strong dependence on the geometry of contact. Specifically, tip-like geometries have been shown to penetrate into monolayer films, inducing defects in the monolayer chains and leading to plowing mechanisms during shear, which result in higher coefficients of friction (COF) than those observed for planar geometries. In this work, we use molecular dynamics simulations to examine the tribology of model silica single-asperity contacts under shear with monolayer-coated substrates featuring various film densities. It is observed that lower monolayer densities lead to reduced COFs, in contrast to results for planar systems where COF is found to be nearly independent of monolayer density. This is attributed to a liquid-like response to shear, whereby fewer defects are imparted in monolayer chains from the asperity, and chains are easily displaced by the tip as a result of the higher free volume. This transition in the mechanism of molecular plowing suggests that liquid-like films should provide favorable lubrication at single-asperity contacts.

  5. Single intra-articular injection of high molecular weight hyaluronic acid for hip osteoarthritis.

    Science.gov (United States)

    Rivera, Fabrizio

    2016-03-01

    Intra-articular (IA) injection of hyaluronic acid (HA) into the hip joint appears to be safe and well tolerated but only a small number of randomized clinical trials in humans has been published. The objective of this prospective study was to evaluate the efficacy and safety of a single IA injection of high-molecular-weight (2800 kDa) HA (Coxarthrum) for hip osteoarthritis. All patients received a single IA administration of 2.5 % sodium hyaluronate (75 mg/3 mL) of high molecular weight. Fluoroscopy requires an iodized contrast medium (iopamidol, 1 ml) which highlights the capsule before administering HA. Patients were evaluated before IA injection (T0), after 3 months, after 6 months and after 1 year from injection. Results were evaluated by the Brief Pain Inventory (BPI II), Harris Hip Score and a visual analog scale of pain (pain VAS). All treated patients were considered for statistical analysis. Two hundred seven patients were included at T0. The mean age was 67 years (range 46-81). Regarding BPI severity score, changes in pain between T0 and the three following visits were statistically highly significant (p injection of Coxarthrum is effective from the third month and that the results are stable or continue to improve up to 1 year. IV.

  6. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim

    2016-06-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.

  7. Synthetic lethality between gene defects affecting a single non-essential molecular pathway with reversible steps.

    Directory of Open Access Journals (Sweden)

    Andrei Zinovyev

    2013-04-01

    Full Text Available Systematic analysis of synthetic lethality (SL constitutes a critical tool for systems biology to decipher molecular pathways. The most accepted mechanistic explanation of SL is that the two genes function in parallel, mutually compensatory pathways, known as between-pathway SL. However, recent genome-wide analyses in yeast identified a significant number of within-pathway negative genetic interactions. The molecular mechanisms leading to within-pathway SL are not fully understood. Here, we propose a novel mechanism leading to within-pathway SL involving two genes functioning in a single non-essential pathway. This type of SL termed within-reversible-pathway SL involves reversible pathway steps, catalyzed by different enzymes in the forward and backward directions, and kinetic trapping of a potentially toxic intermediate. Experimental data with recombinational DNA repair genes validate the concept. Mathematical modeling recapitulates the possibility of kinetic trapping and revealed the potential contributions of synthetic, dosage-lethal interactions in such a genetic system as well as the possibility of within-pathway positive masking interactions. Analysis of yeast gene interaction and pathway data suggests broad applicability of this novel concept. These observations extend the canonical interpretation of synthetic-lethal or synthetic-sick interactions with direct implications to reconstruct molecular pathways and improve therapeutic approaches to diseases such as cancer.

  8. Transcriptional profiling at whole population and single cell levels reveals somatosensory neuron molecular diversity

    Science.gov (United States)

    Chiu, Isaac M; Barrett, Lee B; Williams, Erika K; Strochlic, David E; Lee, Seungkyu; Weyer, Andy D; Lou, Shan; Bryman, Gregory S; Roberson, David P; Ghasemlou, Nader; Piccoli, Cara; Ahat, Ezgi; Wang, Victor; Cobos, Enrique J; Stucky, Cheryl L; Ma, Qiufu; Liberles, Stephen D; Woolf, Clifford J

    2014-01-01

    The somatosensory nervous system is critical for the organism's ability to respond to mechanical, thermal, and nociceptive stimuli. Somatosensory neurons are functionally and anatomically diverse but their molecular profiles are not well-defined. Here, we used transcriptional profiling to analyze the detailed molecular signatures of dorsal root ganglion (DRG) sensory neurons. We used two mouse reporter lines and surface IB4 labeling to purify three major non-overlapping classes of neurons: 1) IB4+SNS-Cre/TdTomato+, 2) IB4−SNS-Cre/TdTomato+, and 3) Parv-Cre/TdTomato+ cells, encompassing the majority of nociceptive, pruriceptive, and proprioceptive neurons. These neurons displayed distinct expression patterns of ion channels, transcription factors, and GPCRs. Highly parallel qRT-PCR analysis of 334 single neurons selected by membership of the three populations demonstrated further diversity, with unbiased clustering analysis identifying six distinct subgroups. These data significantly increase our knowledge of the molecular identities of known DRG populations and uncover potentially novel subsets, revealing the complexity and diversity of those neurons underlying somatosensation. DOI: http://dx.doi.org/10.7554/eLife.04660.001 PMID:25525749

  9. Integrating open-source software applications to build molecular dynamics systems.

    Science.gov (United States)

    Allen, Bruce M; Predecki, Paul K; Kumosa, Maciej

    2014-04-05

    Three open-source applications, NanoEngineer-1, packmol, and mis2lmp are integrated using an open-source file format to quickly create molecular dynamics (MD) cells for simulation. The three software applications collectively make up the open-source software (OSS) suite known as MD Studio (MDS). The software is validated through software engineering practices and is verified through simulation of the diglycidyl ether of bisphenol-a and isophorone diamine (DGEBA/IPD) system. Multiple simulations are run using the MDS software to create MD cells, and the data generated are used to calculate density, bulk modulus, and glass transition temperature of the DGEBA/IPD system. Simulation results compare well with published experimental and numerical results. The MDS software prototype confirms that OSS applications can be analyzed against real-world research requirements and integrated to create a new capability. Copyright © 2014 Wiley Periodicals, Inc.

  10. Single particle characterization, source apportionment, and aging effects of ambient aerosols in Southern California

    Science.gov (United States)

    Shields, Laura Grace

    Composed of a mixture of chemical species and phases and existing in a variety of shapes and sizes, atmospheric aerosols are complex and can have serious influence on human health, the environment, and climate. In order to better understand the impact of aerosols on local to global scales, detailed measurements on the physical and chemical properties of ambient particles are essential. In addition, knowing the origin or the source of the aerosols is important for policymakers to implement targeted regulations and effective control strategies to reduce air pollution in their region. One of the most ground breaking techniques in aerosol instrumentation is single particle mass spectrometry (SPMS), which can provide online chemical composition and size information on the individual particle level. The primary focus of this work is to further improve the ability of one specific SPMS technique, aerosol time-of-flight mass spectrometry (ATOFMS), for the use of identifying the specific origin of ambient aerosols, which is known as source apportionment. The ATOFMS source apportionment method utilizes a library of distinct source mass spectral signatures to match the chemical information of the single ambient particles. The unique signatures are obtained in controlled source characterization studies, such as with the exhaust emissions of heavy duty diesel vehicles (HDDV) operating on a dynamometer. The apportionment of ambient aerosols is complicated by the chemical and physical processes an individual particle can undergo as it spends time in the atmosphere, which is referred to as "aging" of the aerosol. Therefore, the performance of the source signature library technique was investigated on the ambient dataset of the highly aged environment of Riverside, California. Additionally, two specific subsets of the Riverside dataset (ultrafine particles and particles containing trace metals), which are known to cause adverse health effects, were probed in greater detail. Finally

  11. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-05-01

    In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.

  12. Tracking single dynamic MEG dipole sources using the projected Extended Kalman Filter.

    Science.gov (United States)

    Yao, Yuchen; Swindlehurst, A Lee

    2011-01-01

    This paper presents two new algorithms based on the Extended Kalman Filter (EKF) for tracking the parameters of single dynamic magnetoencephalography (MEG) dipole sources. We assume a dynamic MEG dipole source with possibly both time-varying location and dipole orientation. The standard EKF-based tracking algorithm performs well under the assumption that the dipole source components vary in time as a Gauss-Markov process, provided that the background noise is temporally stationary. We propose a Projected-EKF algorithm that is adapted to a more forgiving condition where the background noise is temporally nonstationary, as well as a Projected-GLS-EKF algorithm that works even more universally, when the dipole components vary arbitrarily from one sample to the next.

  13. Spatial and frequency domain ring source models for the single muscle fiber action potential

    DEFF Research Database (Denmark)

    Henneberg, Kaj-åge; R., Plonsey

    1994-01-01

    In the paper, single-fibre models for the extracellular action potential are developed that will allow the potential to the evaluated at an arbitrary field point in the extracellular space. Fourier-domain models are restricted in that they evaluate potentials at equidistant points along a line...... parallel to the fibre axis. Consequently, they cannot easily evaluate the potential at the boundary nodes of a boundary-element electrode model. The Fourier-domain models employ axial-symmetric ring source models, and thereby provide higher accuracy that the line source model, where the source is lumped...... including anisotropy show that the spatial models require extreme care in the integration procedure owing to the singularity in the weighting functions. With adequate sampling, the spatial models can evaluate extracellular potentials with high accuracy....

  14. 75 FR 65494 - Award of Three Single-Source Expansion Supplements to The University of Colorado Health Sciences...

    Science.gov (United States)

    2010-10-25

    ... Single-Source Expansion Supplements to The University of Colorado Health Sciences Center in Aurora, CO...), Administration on Developmental Disabilities (ADD) has awarded three single-source expansion supplements for data... people with intellectual and developmental disabilities in all facets of community life. The University...

  15. 77 FR 65896 - Award of a Single-Source Replacement Grant to SOS Children's Villages Illinois in Chicago, IL

    Science.gov (United States)

    2012-10-31

    ....623] Award of a Single-Source Replacement Grant to SOS Children's Villages Illinois in Chicago, IL... (FYSB) announces the award of a single-source replacement grant to SOS Children's Villages Illinois in... grant. ACYF/FYSB has designated SOS Children's Villages Illinois, a 501(c)(3) non-profit organization...

  16. 77 FR 38070 - Office of Refugee Resettlement; Announcing the Award of a Single-Source Program Expansion...

    Science.gov (United States)

    2012-06-26

    ....676] Office of Refugee Resettlement; Announcing the Award of a Single- Source Program Expansion... (BCFS) in San Antonio, TX AGENCY: Office of Refugee Resettlement, ACF, HHS. ACTION: The Office of Refugee Resettlement announces the award of a single-source program expansion supplement grant from its...

  17. 77 FR 65195 - Announcement of the Award of Four Single-Source Program Expansion Supplement Grants To Support...

    Science.gov (United States)

    2012-10-25

    ... for Children and Families, Health and Human Services. ACTION: Notice of award of four single-source... Administration for Children and Families, Office of Head Start, announces the award of single-source program... systems and improved outcomes for young children and families including strategies to support parent...

  18. 77 FR 58404 - Announcing the Award of Two Urgent Single-Source Grants To Support Unaccompanied Alien Children...

    Science.gov (United States)

    2012-09-20

    ...] Announcing the Award of Two Urgent Single-Source Grants To Support Unaccompanied Alien Children Program...) announces the award of two urgent single-source grants from the Unaccompanied Alien Children's Program to... providing services under the Unaccompanied Alien Children's program. Award Grantee organization Location...

  19. 77 FR 61002 - Announcement of the Award of Single-Source Program Expansion Supplement Grants to Seven Assets...

    Science.gov (United States)

    2012-10-05

    ... training on money management and consumer issues. Grant recipients must finance the projects with a....602] Announcement of the Award of Single-Source Program Expansion Supplement Grants to Seven Assets... the award of single-source program expansion supplements to seven FY 2012 grantees under the Assets...

  20. Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

    Science.gov (United States)

    Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

    2008-02-19

    Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

  1. Site-Selection in Single-Molecule Junction for Highly Reproducible Molecular Electronics.

    Science.gov (United States)

    Kaneko, Satoshi; Murai, Daigo; Marqués-González, Santiago; Nakamura, Hisao; Komoto, Yuki; Fujii, Shintaro; Nishino, Tomoaki; Ikeda, Katsuyoshi; Tsukagoshi, Kazuhito; Kiguchi, Manabu

    2016-02-03

    Adsorption sites of molecules critically determine the electric/photonic properties and the stability of heterogeneous molecule-metal interfaces. Then, selectivity of adsorption site is essential for development of the fields including organic electronics, catalysis, and biology. However, due to current technical limitations, site-selectivity, i.e., precise determination of the molecular adsorption site, remains a major challenge because of difficulty in precise selection of meaningful one among the sites. We have succeeded the single site-selection at a single-molecule junction by performing newly developed hybrid technique: simultaneous characterization of surface enhanced Raman scattering (SERS) and current-voltage (I-V) measurements. The I-V response of 1,4-benzenedithiol junctions reveals the existence of three metastable states arising from different adsorption sites. Notably, correlated SERS measurements show selectivity toward one of the adsorption sites: "bridge sites". This site-selectivity represents an essential step toward the reliable integration of individual molecules on metallic surfaces. Furthermore, the hybrid spectro-electric technique reveals the dependence of the SERS intensity on the strength of the molecule-metal interaction, showing the interdependence between the optical and electronic properties in single-molecule junctions.

  2. Interplay of single particle and collective response in molecular dynamics simulation of dusty plasma system

    Science.gov (United States)

    Maity, Srimanta; Das, Amita; Kumar, Sandeep; Tiwari, Sanat Kumar

    2018-04-01

    The collective response of the plasma medium is well known and has been explored extensively in the context of dusty plasma medium. On the other hand, the individual particle response associated with the collisional character giving rise to the dissipative phenomena has not been explored adequately. In this paper, two-dimensional molecular dynamics simulation of dust particles interacting via Yukawa potential has been considered. It has been shown that disturbances induced in a dust crystal elicit both collective and single particle responses. Generation of a few particles moving at speeds considerably higher than acoustic and/or shock speed (excited by the external disturbance) is observed. This is an indication of a single particle response. Furthermore, as these individual energetic particles propagate, the dust crystal is observed to crack along their path. Initially when the energy is high, these particles generate secondary energetic particles by the collisional scattering process. However, ultimately as these particles slow down they excite a collective response in the dust medium at secondary locations in a region which is undisturbed by the primary external disturbance. The condition when the cracking of the crystal stops and collective excitations get initiated has been identified quantitatively. The trailing collective primary disturbances would thus often encounter a disturbed medium with secondary and tertiary collective perturbations, thereby suffering significant modification in its propagation. It is thus clear that there is an interesting interplay (other than mere dissipation) between the single particle and collective response which governs the dynamics of any disturbance introduced in the medium.

  3. Drift correction for single-molecule imaging by molecular constraint field, a distance minimum metric

    International Nuclear Information System (INIS)

    Han, Renmin; Wang, Liansan; Xu, Fan; Zhang, Yongdeng; Zhang, Mingshu; Liu, Zhiyong; Ren, Fei; Zhang, Fa

    2015-01-01

    The recent developments of far-field optical microscopy (single molecule imaging techniques) have overcome the diffraction barrier of light and improve image resolution by a factor of ten compared with conventional light microscopy. These techniques utilize the stochastic switching of probe molecules to overcome the diffraction limit and determine the precise localizations of molecules, which often requires a long image acquisition time. However, long acquisition times increase the risk of sample drift. In the case of high resolution microscopy, sample drift would decrease the image resolution. In this paper, we propose a novel metric based on the distance between molecules to solve the drift correction. The proposed metric directly uses the position information of molecules to estimate the frame drift. We also designed an algorithm to implement the metric for the general application of drift correction. There are two advantages of our method: First, because our method does not require space binning of positions of molecules but directly operates on the positions, it is more natural for single molecule imaging techniques. Second, our method can estimate drift with a small number of positions in each temporal bin, which may extend its potential application. The effectiveness of our method has been demonstrated by both simulated data and experiments on single molecular images

  4. Single-crate stand-alone CAMAC control system for a negative ion source test facility

    International Nuclear Information System (INIS)

    Juras, R.C.; Ziegler, N.F.

    1979-01-01

    A single-crate CAMAC system was configured to control a negative ion source development facility at ORNL and control software was written for the crate microcomputer. The software uses inputs from a touch panel and a shaft encoder to control the various operating parameters of the test facility and uses the touch panel to display the operating status. Communication to and from the equipment at ion source potential is accomplished over optical fibers from an ORNL-built CAMAC module. A receiver at ion source potential stores the transmitted data and some of these stored values are then used to control discrete parameters of the ion source (i.e., power supply on or off). Other stored values are sent to a multiplexed digital-to-analog converter to provide analog control signals. A transmitter at ion source potential transmits discrete status information and several channels of analog data from an analog-to-digital converter back to the ground-potential receiver where it is stored to be read and displayed by the software

  5. Gas Source Techniques for Molecular Beam Epitaxy of Highly Mismatched Ge Alloys

    Directory of Open Access Journals (Sweden)

    Chad A. Stephenson

    2016-12-01

    Full Text Available Ge and its alloys are attractive candidates for a laser compatible with silicon integrated circuits. Dilute germanium carbide (Ge1−xCx offers a particularly interesting prospect. By using a precursor gas with a Ge4C core, C can be preferentially incorporated in substitutional sites, suppressing interstitial and C cluster defects. We present a method of reproducible and upscalable gas synthesis of tetrakis(germylmethane, or (H3Ge4C, followed by the design of a hybrid gas/solid-source molecular beam epitaxy system and subsequent growth of defect-free Ge1−xCx by molecular beam epitaxy (MBE. Secondary ion mass spectroscopy, transmission electron microscopy and contactless electroreflectance confirm the presence of carbon with very high crystal quality resulting in a decrease in the direct bandgap energy. This technique has broad applicability to growth of highly mismatched alloys by MBE.

  6. Enhancing the brightness of electrically driven single-photon sources using color centers in silicon carbide

    Science.gov (United States)

    Khramtsov, Igor A.; Vyshnevyy, Andrey A.; Fedyanin, Dmitry Yu.

    2018-03-01

    Practical applications of quantum information technologies exploiting the quantum nature of light require efficient and bright true single-photon sources which operate under ambient conditions. Currently, point defects in the crystal lattice of diamond known as color centers have taken the lead in the race for the most promising quantum system for practical non-classical light sources. This work is focused on a different quantum optoelectronic material, namely a color center in silicon carbide, and reveals the physics behind the process of single-photon emission from color centers in SiC under electrical pumping. We show that color centers in silicon carbide can be far superior to any other quantum light emitter under electrical control at room temperature. Using a comprehensive theoretical approach and rigorous numerical simulations, we demonstrate that at room temperature, the photon emission rate from a p-i-n silicon carbide single-photon emitting diode can exceed 5 Gcounts/s, which is higher than what can be achieved with electrically driven color centers in diamond or epitaxial quantum dots. These findings lay the foundation for the development of practical photonic quantum devices which can be produced in a well-developed CMOS compatible process flow.

  7. Suite of three protein crystallography beamlines with single superconducting bend magnet as the source

    International Nuclear Information System (INIS)

    MacDowell, Alastair A.; Celestre, Richard S.; Howells, Malcolm; McKinney, Wayne; Krupnick, James; Cambie, Daniella; Domning, Edward E; Duarte, Robert M.; Kelez, Nicholas; Plate, David W.; Cork, Carl W.; Earnest, Thomas N.; Dickert, Jeffery; Meigs, George; Ralston, Corie; Holton, James M.; Alber, Thomas; Berger, James M.; Agard, David A.; Padmore, Howard A.

    2004-01-01

    At the Advanced Light Source (ALS), three protein crystallography (PX) beamlines have been built that use as a source one of the three 6 Tesla single pole superconducting bending magnets (superbends) that were recently installed in the ring. The use of such single pole superconducting bend magnets enables the development of a hard x-ray program on a relatively low energy 1.9 GeV ring without taking up insertion device straight sections. The source is of relatively low power, but due to the small electron beam emittance, it has high brightness. X-ray optics are required to preserve the brightness and to match the illumination requirements for protein crystallography. This was achieved by means of a collimating premirror bent to a plane parabola, a double crystal monochromator followed by a toroidal mirror that focuses in the horizontal direction with a 2:1 demagnification. This optical arrangement partially balances aberrations from the collimating and toroidal mirrors such that a tight focused spot size is achieved. The optical properties of the beamline are an excellent match to those required by the small protein crystals that are typically measured. The design and performance of these new beamlines are described

  8. Suite of three protein crystallography beamlines with single superconducting bend magnet as the source.

    Science.gov (United States)

    MacDowell, Alastair A; Celestre, Rich S; Howells, Malcolm; McKinney, Wayne; Krupnick, James; Cambie, Daniella; Domning, Edward E; Duarte, Robert M; Kelez, Nicholas; Plate, David W; Cork, Carl W; Earnest, Thomas N; Dickert, Jeffery; Meigs, George; Ralston, Corie; Holton, James M; Alber, Tom; Berger, James M; Agard, David A; Padmore, Howard A

    2004-11-01

    At the Advanced Light Source, three protein crystallography beamlines have been built that use as a source one of the three 6 T single-pole superconducting bending magnets (superbends) that were recently installed in the ring. The use of such single-pole superconducting bend magnets enables the development of a hard X-ray program on a relatively low-energy 1.9 GeV ring without taking up insertion-device straight sections. The source is of relatively low power but, owing to the small electron beam emittance, it has high brightness. X-ray optics are required to preserve the brightness and to match the illumination requirements for protein crystallography. This was achieved by means of a collimating premirror bent to a plane parabola, a double-crystal monochromator followed by a toroidal mirror that focuses in the horizontal direction with a 2:1 demagnification. This optical arrangement partially balances aberrations from the collimating and toroidal mirrors such that a tight focused spot size is achieved. The optical properties of the beamline are an excellent match to those required by the small protein crystals that are typically measured. The design and performance of these new beamlines are described.

  9. Suite of three protein crystallography beamlines with single superconducting bend magnet as the source

    Energy Technology Data Exchange (ETDEWEB)

    MacDowell, Alastair A.; Celestre, Richard S.; Howells, Malcolm; McKinney, Wayne; Krupnick, James; Cambie, Daniella; Domning, Edward E; Duarte, Robert M.; Kelez, Nicholas; Plate, David W.; Cork, Carl W.; Earnest, Thomas N.; Dickert, Jeffery; Meigs, George; Ralston, Corie; Holton, James M.; Alber, Thomas; Berger, James M.; Agard, David A.; Padmore, Howard A.

    2004-08-01

    At the Advanced Light Source (ALS), three protein crystallography (PX) beamlines have been built that use as a source one of the three 6 Tesla single pole superconducting bending magnets (superbends) that were recently installed in the ring. The use of such single pole superconducting bend magnets enables the development of a hard x-ray program on a relatively low energy 1.9 GeV ring without taking up insertion device straight sections. The source is of relatively low power, but due to the small electron beam emittance, it has high brightness. X-ray optics are required to preserve the brightness and to match the illumination requirements for protein crystallography. This was achieved by means of a collimating premirror bent to a plane parabola, a double crystal monochromator followed by a toroidal mirror that focuses in the horizontal direction with a 2:1 demagnification. This optical arrangement partially balances aberrations from the collimating and toroidal mirrors such that a tight focused spot size is achieved. The optical properties of the beamline are an excellent match to those required by the small protein crystals that are typically measured. The design and performance of these new beamlines are described.

  10. Failure of single electron descriptions of molecular orbital collision processes. [Electron promotion mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Elston, S.B.

    1978-01-01

    Inner-shell excitation occurring in low and moderate (keV range) energy collisions between light atomic and ionic systems is frequently describable in terms of molecular promotion mechanisms, which were extensively explored both theoretically and experimentally. The bulk of such studies have concentrated on processes understandable through the use of single- and independent-electron models. Nonetheless, it is possible to find cases of inner-shell excitation in relatively simple collision systems which involve nearly simultaneous multiple-electron transitions and transitions induced by inherently two-electron interactions. Evidence for these many- and nonindependent-electron phenomena in inner-shell excitation processes and the importance of considering such effects in the interpretation of collisionally induced excitation spectra is discussed. 13 references.

  11. Magnetic switching of a single molecular magnet due to spin-polarized current

    Science.gov (United States)

    Misiorny, Maciej; Barnaś, Józef

    2007-04-01

    Magnetic switching of a single molecular magnet (SMM) due to spin-polarized current flowing between ferromagnetic metallic leads (electrodes) is investigated theoretically. Magnetic moments of the leads are assumed to be collinear and parallel to the magnetic easy axis of the molecule. Electrons tunneling through the barrier between magnetic leads are coupled to the SMM via exchange interaction. The current flowing through the system, as well as the spin relaxation times of the SMM, are calculated from the Fermi golden rule. It is shown that spin of the SMM can be reversed by applying a certain voltage between the two magnetic electrodes. Moreover, the switching may be visible in the corresponding current-voltage characteristics.

  12. Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Junhua, E-mail: junhua.zhao@uni-weimar.de [Jiangsu Province Key Laboratory of Advanced Manufacturing Equipment and Technology of Food, Jiangnan University, 214122 Wuxi (China); Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Jiang, Jin-Wu, E-mail: jwjiang5918@hotmail.com [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Rabczuk, Timon, E-mail: timon.rabczuk@uni-weimar.de [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); School of Civil, Environmental and Architectural Engineering, Korea University, 136-701 Seoul (Korea, Republic of)

    2013-12-02

    The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS{sub 2}) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS{sub 2}. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.

  13. Bright single photon source based on self-aligned quantum dot–cavity systems

    DEFF Research Database (Denmark)

    Maier, Sebastian; Gold, Peter; Forchel, Alfred

    2014-01-01

    We report on a quasi-planar quantum-dot-based single-photon source that shows an unprecedented high extraction efficiency of 42% without complex photonic resonator geometries or post-growth nanofabrication. This very high efficiency originates from the coupling of the photons emitted by a quantum...... dot to a Gaussian shaped nanohill defect that naturally arises during epitaxial growth in a self-aligned manner. We investigate the morphology of these defects and characterize the photonic operation mechanism. Our results show that these naturally arising coupled quantum dot-defects provide a new...... avenue for efficient (up to 42% demonstrated) and pure (g2(0) value of 0.023) single-photon emission....

  14. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    Energy Technology Data Exchange (ETDEWEB)

    Mizuno, Kaoru; Yamamoto, Satoshi [Shimane Univ., Faculty of Science and Engineering, Matsue, Shimane (Japan); Morikawa, Kimihiko [Hokkaido Univ., Institute for Low Temperature Science, Sapporo, Hokkaido (Japan); Kuga, Masanori [Kanazawa Univ., Faculty of Science, Kanazawa, Ishikawa (Japan); Okamoto, Hiroyuki [Kanazawa Univ., Faculty of Medicine, Kanazawa, Ishikawa (Japan); Hashimoto, Eiji [Hiroshima Univ., Hiroshima Synchrotron Radiation Center, Higashi-Hiroshima, Hiroshima (Japan)

    2004-05-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  15. New vacancy source in ultrahigh-purity aluminium single crystals with a low dislocation density

    International Nuclear Information System (INIS)

    Mizuno, Kaoru; Yamamoto, Satoshi; Morikawa, Kimihiko; Kuga, Masanori; Okamoto, Hiroyuki; Hashimoto, Eiji

    2004-01-01

    The vacancy generation process in ultrahigh-purity aluminum single crystals with a low dislocation density was investigated by synchrotron radiation topography using a white X-ray beam. Some straight lines were observed in the topographys taken after temperature rose to 300degC from room temperature, and they were confirmed to be rows of successive small interstitial-type dislocation loops grown as vacancy sources. It was concluded that the thermal generation mechanism of vacancies in ultrahigh-purity aluminum single crystals with a low dislocation density consists of the following two steps. First, small interstitial loops are heterogeneously formed in the crystal lattice; second, these convert to lengthened loops with the development of screw components and finally grow into rows of dislocation loops emitting vacancies into the lattice. (author)

  16. Grid Integration of Single Stage Solar PV System using Three-level Voltage Source Converter

    Science.gov (United States)

    Hussain, Ikhlaq; Kandpal, Maulik; Singh, Bhim

    2016-08-01

    This paper presents a single stage solar PV (photovoltaic) grid integrated power generating system using a three level voltage source converter (VSC) operating at low switching frequency of 900 Hz with robust synchronizing phase locked loop (RS-PLL) based control algorithm. To track the maximum power from solar PV array, an incremental conductance algorithm is used and this maximum power is fed to the grid via three-level VSC. The use of single stage system with three level VSC offers the advantage of low switching losses and the operation at high voltages and high power which results in enhancement of power quality in the proposed system. Simulated results validate the design and control algorithm under steady state and dynamic conditions.

  17. Single Photon Source with a Diamond Nanocrystal on an Optical Nanofiber

    International Nuclear Information System (INIS)

    Lars Liebermeister

    2014-01-01

    The development of high yield single photon sources is crucial for applications in quantum information science as well as for experiments on the foundations of quantum physics. The NV-center in diamond is a promising solid state candidate. By using nanodiamonds the single photon emission can easily be coupled to integrated nano-optical and plasmonic structures. Our approach is to utilize efficient coupling of fluorescence of a single NV-center to the evanescent field of an optical nanofiber. A hybrid microscope (confocal microscope combined with an AFM) allows to optically characterize and preselect diamond nanocrystals and then to apply an AFM nanomanipulation technique to move a selected nanodiamond deterministically onto the tapered optical fiber. We report on first results with single diamond nanocrystals containing several NV-centers positioned on a tapered optical fiber. We observe fluorescence emission in the guided mode of the fiber. The second order correlation recorded between the free-space and the guided fluorescence shows pronounced antibunching. This demonstrated efficient evanescent coupling with low background. (author)

  18. Frequency-Stabilized Source of Single Photons from a Solid-State Qubit

    Directory of Open Access Journals (Sweden)

    Jonathan H. Prechtel

    2013-10-01

    Full Text Available Single quantum dots are solid-state emitters that mimic two-level atoms but with a highly enhanced spontaneous emission rate. A single quantum dot is the basis for a potentially excellent single-photon source. One outstanding problem is that there is considerable noise in the emission frequency, making it very difficult to couple the quantum dot to another quantum system. We solve this problem here with a dynamic feedback technique that locks the quantum-dot emission frequency to a reference. The incoherent scattering (resonance fluorescence represents the single-photon output, whereas the coherent scattering (Rayleigh scattering is used for the feedback control. The fluctuations in emission frequency are reduced to 20 MHz, just approximately 5% of the quantum-dot optical linewidth, even over several hours. By eliminating the 1/f-like noise, the relative fluctuations in quantum-dot noise power are reduced to approximately 10^{-5} at low frequency. Under these conditions, the antibunching dip in the resonance fluorescence is described extremely well by the two-level atom result. The technique represents a way of removing charge noise from a quantum device.

  19. On-demand semiconductor single-photon source with near-unity indistinguishability.

    Science.gov (United States)

    He, Yu-Ming; He, Yu; Wei, Yu-Jia; Wu, Dian; Atatüre, Mete; Schneider, Christian; Höfling, Sven; Kamp, Martin; Lu, Chao-Yang; Pan, Jian-Wei

    2013-03-01

    Single-photon sources based on semiconductor quantum dots offer distinct advantages for quantum information, including a scalable solid-state platform, ultrabrightness and interconnectivity with matter qubits. A key prerequisite for their use in optical quantum computing and solid-state networks is a high level of efficiency and indistinguishability. Pulsed resonance fluorescence has been anticipated as the optimum condition for the deterministic generation of high-quality photons with vanishing effects of dephasing. Here, we generate pulsed single photons on demand from a single, microcavity-embedded quantum dot under s-shell excitation with 3 ps laser pulses. The π pulse-excited resonance-fluorescence photons have less than 0.3% background contribution and a vanishing two-photon emission probability. Non-postselective Hong-Ou-Mandel interference between two successively emitted photons is observed with a visibility of 0.97(2), comparable to trapped atoms and ions. Two single photons are further used to implement a high-fidelity quantum controlled-NOT gate.

  20. Kondo peak splitting and Kondo dip in single molecular magnet junctions

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Pengbin, E-mail: 120233951@qq.com [Institute of Solid State Physics, Shanxi Datong University, Datong 037009 (China); Shi, Yunlong; Sun, Zhu [Institute of Solid State Physics, Shanxi Datong University, Datong 037009 (China); Nie, Yi-Hang [Institute of Theoretical Physics, Shanxi University, Taiyuan 030006 (China); Luo, Hong-Gang [Center for Interdisciplinary Studies & Key Laboratory for Magnetism and Magnetic Materials of the MoE, Lanzhou University, Lanzhou 730000 (China); Beijing Computational Science Research Center, Beijing 100084 (China)

    2016-01-15

    Many factors containing bias, spin–orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin–orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments. - Highlights: • We study Kondo peak splitting in single molecular magnets. • We study Kondo effect by Hubbard operator Green's function method. • We find Kondo peak splitting structures and a Kondo dip at Fermi level. • The exchange coupling and magnetic anisotropy induce fine splitting structure. • The splitting structures are explained by inter-level or intra-level transitions.

  1. Excess electron is trapped in a large single molecular cage C60F60.

    Science.gov (United States)

    Wang, Yin-Feng; Li, Zhi-Ru; Wu, Di; Sun, Chia-Chung; Gu, Feng-Long

    2010-01-15

    A new kind of solvated electron systems, sphere-shaped e(-)@C60F60 (I(h)) and capsule-shaped e(-)@C60F60 (D6h), in contrast to the endohedral complex M@C60, is represented at the B3LYP/6-31G(d) + dBF (diffusive basis functions) density functional theory. It is proven, by examining the singly occupied molecular orbital (SOMO) and the spin density map of e(-)@C60F60, that the excess electron is indeed encapsulated inside the C60F60 cage. The shape of the electron cloud in SOMO matches with the shape of C60F60 cage. These cage-like single molecular solvated electrons have considerably large vertical electron detachment energies VDE of 4.95 (I(h)) and 4.67 eV (D6h) at B3LYP/6-31+G(3df) + dBF level compared to the VDE of 3.2 eV for an electron in bulk water (Coe et al., Int Rev Phys Chem 2001, 20, 33) and that of 3.66 eV for e(-)@C20F20 (Irikura, J Phys Chem A 2008, 112, 983), which shows their higher stability. The VDE of the sphere-shaped e(-)@C60F60 (I(h)) is greater than that of the capsule-shaped e(-)@C60F60 (D6h), indicating that the excess electron prefers to reside in the cage with the higher symmetry to form the more stable solvated electron. It is also noticed that the cage size [7.994 (I(h)), 5.714 and 9.978 A (D6h) in diameter] is much larger than that (2.826 A) of (H2O)20- dodecahedral cluster (Khan, Chem Phys Lett 2005, 401, 85). Copyright 2009 Wiley Periodicals, Inc.

  2. Molecular Etiology of Hereditary Single-Side Deafness: Its Association With Pigmentary Disorders and Waardenburg Syndrome.

    Science.gov (United States)

    Kim, Shin Hye; Kim, Ah Reum; Choi, Hyun Seok; Kim, Min Young; Chun, Eun Hi; Oh, Seung-Ha; Choi, Byung Yoon

    2015-10-01

    Unilateral sensorineural hearing loss (USNHL)/single-side deafness (SSD) is a frequently encountered disability in children. The etiology of a substantial portion of USNHL/SSD still remains unknown, and genetic causes have not been clearly elucidated. In this study, the authors evaluated the heritability of USNHL/SSD.The authors sequentially recruited 50 unrelated children with SSD. For an etiologic diagnosis, we performed a rigorous review on the phenotypes of family members of all children and conducted, if necessary, molecular genetic tests including targeted exome sequencing of 129 deafness genes.Among the 50 SSD children cohort, the authors identify 4 (8%) unrelated SSD probands from 4 families (SH136, SB173, SB177, and SB199) with another hearing impaired family members. Notably, all 4 probands in our cohort with a familial history of SSD also have pigmentary abnormalities such as brown freckles or premature gray hair within first degree relatives, which may indicate that genes whose products are involved with pigmentary disorder could be candidates for heritable SSD. Indeed, SH136 and SB199 turned out to segregate a mutation in MITF and PAX3, respectively, leading to a molecular diagnosis of Waardenburg syndrome (WS).We report, for the first time in the literature, a significant heritability of pediatric SSD. There is a strong association between the heritability of USNHL/SSD and the pigmentary abnormality, shedding a new light on the understanding of the molecular basis of heritable USNHL/SSD. In case of children with congenital SSD, it would be mandatory to rigorously screen pigmentary abnormalities. WS should also be included in the differential diagnosis of children with USNHL/SSD, especially in a familial form.

  3. Molecular dynamics simulation of a DNA containing a single strand break

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, H.; Siebers, G.; Furukawa, A.; Otagiri, N.; Osman, R

    2002-07-01

    Molecular dynamics simulations were performed for a dodecamer DNA containing a single strand break (SSB), which has been represented by a 3'-OH deoxyribose and 5'-OH phosphate in the middle of the strand. Molecular force field parameters of the 5'-OH phosphate region were determined from an ab initio calculation at the HF/6-31G level using the program package GAMESS. The DNA was placed in a periodic boundary box with water molecules and Na+ counter-ions to produce a neutralised system. After minimisation, the system was heated to 300 K, equilibrated and a production run at constant NTP was executed for 1 ns using AMBER 4.1. Snapshots of the SSB-containing DNA and a detailed analysis of the equilibriated average structure revealed surprisingly small conformational changes compared to normal DNA. However, dynamic properties calculated using the essential dynamics method showed some features that may be important for the recognition of this damage by repair enzymes. (author)

  4. A Molecular Dynamics Study of Single-Walled Carbon Nanotubes (SWCNTs) Dispersed in Bile Salt Surfactants

    Science.gov (United States)

    Phelan, Frederick, Jr.; Sun, Huai

    2014-03-01

    Single-walled carbon nanotubes (SWNCTs) are materials with structural, electronic and optical properties that make them attractive for a myriad of advanced technology applications. A practical barrier to their use is that SWCNT synthesis techniques produce heterogeneous mixtures of varying lengths and chirality, whereas applications generally require tubes with narrow size distributions and individual type. Most separation techniques currently in use to obtain monodisperse tube fractions rely on dispersion of these materials in aqueous solution using surfactants. The dispersion process results in a mixture of colloidal structures in which individual tubes are dispersed and contained in a surfactant shell. Understanding the structure and properties of the SWCNT-surfactant complex at the molecular level, and how this is affected by chirality, is key to understanding and improving separations processes. In this study, we use molecular dynamics (MD) simulations to study the structure and properties of SWCNT-surfactant colloidal complexes. We tested a number of methods and protocols in order to build an accurate model for simulating SWCNT systems for a variety of bile salt surfactants as well as anionic co-surfactants, components that are widely used and important in experimental separation studies at NIST. The custom force field parameters used here will be stored in WebFF, a Web-hosted smart force-field repository for polymeric and organic materials being developed at NIST for the Materials Genome Initiative.

  5. A molecular-mechanics based finite element model for strength prediction of single wall carbon nanotubes

    International Nuclear Information System (INIS)

    Meo, M.; Rossi, M.

    2007-01-01

    The aim of this work was to develop a finite element model based on molecular mechanics to predict the ultimate strength and strain of single wallet carbon nanotubes (SWCNT). The interactions between atoms was modelled by combining the use of non-linear elastic and torsional elastic spring. In particular, with this approach, it was tried to combine the molecular mechanics approach with finite element method without providing any not-physical data on the interactions between the carbon atoms, i.e. the CC-bond inertia moment or Young's modulus definition. Mechanical properties as Young's modulus, ultimate strength and strain for several CNTs were calculated. Further, a stress-strain curve for large deformation (up to 70%) is reported for a nanotube Zig-Zag (9,0). The results showed that good agreement with the experimental and numerical results of several authors was obtained. A comparison of the mechanical properties of nanotubes with same diameter and different chirality was carried out. Finally, the influence of the presence of defects on the strength and strain of a SWNT was also evaluated. In particular, the stress-strain curve a nanotube with one-vacancy defect was evaluated and compared with the curve of a pristine one, showing a reduction of the ultimate strength and strain for the defected nanotube. The FE model proposed demonstrate to be a reliable tool to simulate mechanical behaviour of carbon nanotubes both in the linear elastic field and the non-linear elastic field

  6. Effect of the substitution of F on the photoswitching behavior in single molecular device

    Science.gov (United States)

    Bian, Baoan; Zheng, Yapeng; Yuan, Peipei; Liao, Bin; Chen, Wei; An, Xiuhua; Mo, Xiaotong; Ding, Yuqiang

    2017-09-01

    We carry out first-principles calculations based on density functional theory and non-equilibrium Green's function to investigate the electronic transport properties of a 5-arylidenehydantoin molecule sandwiched between two Au electrodes. A reversible switching behavior between E and Z isomerization can be observed in the device through light irradiation, and their currents display different characteristic. Furthermore, it is found that the substitution of F in the molecule enlarges the switching ratio of device. The different characteristics of currents for E/Z forms and E/Z with the substitution of F are discussed by the transmission spectra and the molecular projected self-consistent Hamiltonian states. We discuss the change of Fermi level alignment due to the substitution of F, and the polarization effect under bias. We find the negative differential resistance effect in the E form with the substitution of F, which is explained by change of molecule-electrode coupling with the varied bias. The results suggest that the 5-arylidenehydantoin molecule with the substitution of F that improves the performance of device, becoming one of the methods for improving single molecular photoswitching performance in the future.

  7. Gating circuit for single photon-counting fluorescence lifetime instruments using high repetition pulsed light sources

    International Nuclear Information System (INIS)

    Laws, W.R.; Potter, D.W.; Sutherland, J.C.

    1984-01-01

    We have constructed a circuit that permits conventional timing electronics to be used in single photon-counting fluorimeters with high repetition rate excitation sources (synchrotrons and mode-locked lasers). Most commercial time-to-amplitude and time-to-digital converters introduce errors when processing very short time intervals and when subjected to high-frequency signals. This circuit reduces the frequency of signals representing the pulsed light source (stops) to the rate of detected fluorescence events (starts). Precise timing between the start/stop pair is accomplished by using the second stop pulse after a start pulse. Important features of our design are that the circuit is insensitive to the simultaneous occurrence of start and stop signals and that the reduction in the stop frequency allows the start/stop time interval to be placed in linear regions of the response functions of commercial timing electronics

  8. Characterizing multi-photon quantum interference with practical light sources and threshold single-photon detectors

    Science.gov (United States)

    Navarrete, Álvaro; Wang, Wenyuan; Xu, Feihu; Curty, Marcos

    2018-04-01

    The experimental characterization of multi-photon quantum interference effects in optical networks is essential in many applications of photonic quantum technologies, which include quantum computing and quantum communication as two prominent examples. However, such characterization often requires technologies which are beyond our current experimental capabilities, and today's methods suffer from errors due to the use of imperfect sources and photodetectors. In this paper, we introduce a simple experimental technique to characterize multi-photon quantum interference by means of practical laser sources and threshold single-photon detectors. Our technique is based on well-known methods in quantum cryptography which use decoy settings to tightly estimate the statistics provided by perfect devices. As an illustration of its practicality, we use this technique to obtain a tight estimation of both the generalized Hong‑Ou‑Mandel dip in a beamsplitter with six input photons and the three-photon coincidence probability at the output of a tritter.

  9. Sythesis of metal sulfide nanomaerials via thermal decomposition of single-source percursors

    Energy Technology Data Exchange (ETDEWEB)

    Jen-La Plante, Ilan; Zeid, Tahani W.; Yang, Peidong; Mokari, Taleb

    2010-06-03

    In this report, we present a synthetic method for the formation of cuprous sulfide (Cu2S) and lead sulfide (PbS) nanomaterials directly on substrates from the thermolysis of single-source precursors. We find that the final morphology and arrangement of the nanomaterials may be controlled through the concentration of the dissolved precursors and choice of solvent. One-dimensional (1-D) morphologies may also be grown onto substrates with the addition of a metal catalyst layer through solution-liquid-solid (SLS) growth. These synthetic techniques may be expanded to other metal sulfide materials.

  10. Single Phase Current-Source Active Rectifier for Traction: Control System Design and Practical Problems

    Directory of Open Access Journals (Sweden)

    Jan Michalik

    2006-01-01

    Full Text Available This research has been motivated by industrial demand for single phase current-source active rectifier dedicated for reconstruction of older types of dc machine locomotives. This paper presents converters control structure design and simulations. The proposed converter control is based on the mathematical model and due to possible interaction with railway signaling and required low switching frequency employs synchronous PWM. The simulation results are verified by experimental tests performed on designed laboratory prototype of power of 7kVA

  11. A Single Rod Multi-modality Multi-interface Level Sensor Using an AC Current Source

    Directory of Open Access Journals (Sweden)

    Abdulgader Hwili

    2008-05-01

    Full Text Available Crude oil separation is an important process in the oil industry. To make efficient use of the separators, it is important to know their internal behaviour, and to measure the levels of multi-interfaces between different materials, such as gas-foam, foam-oil, oil-emulsion, emulsion-water and water-solids. A single-rod multi-modality multi-interface level sensor is presented, which has a current source, and electromagnetic modalities. Some key issues have been addressed, including the effect of salt content and temperature i.e. conductivity on the measurement.

  12. An improved cut-and-solve algorithm for the single-source capacitated facility location problem

    DEFF Research Database (Denmark)

    Gadegaard, Sune Lauth; Klose, Andreas; Nielsen, Lars Relund

    2018-01-01

    In this paper, we present an improved cut-and-solve algorithm for the single-source capacitated facility location problem. The algorithm consists of three phases. The first phase strengthens the integer program by a cutting plane algorithm to obtain a tight lower bound. The second phase uses a two......-level local branching heuristic to find an upper bound, and if optimality has not yet been established, the third phase uses the cut-and-solve framework to close the optimality gap. Extensive computational results are reported, showing that the proposed algorithm runs 10–80 times faster on average compared...

  13. Accuracy of Dual-Energy Virtual Monochromatic CT Numbers: Comparison between the Single-Source Projection-Based and Dual-Source Image-Based Methods.

    Science.gov (United States)

    Ueguchi, Takashi; Ogihara, Ryota; Yamada, Sachiko

    2018-03-21

    To investigate the accuracy of dual-energy virtual monochromatic computed tomography (CT) numbers obtained by two typical hardware and software implementations: the single-source projection-based method and the dual-source image-based method. A phantom with different tissue equivalent inserts was scanned with both single-source and dual-source scanners. A fast kVp-switching feature was used on the single-source scanner, whereas a tin filter was used on the dual-source scanner. Virtual monochromatic CT images of the phantom at energy levels of 60, 100, and 140 keV were obtained by both projection-based (on the single-source scanner) and image-based (on the dual-source scanner) methods. The accuracy of virtual monochromatic CT numbers for all inserts was assessed by comparing measured values to their corresponding true values. Linear regression analysis was performed to evaluate the dependency of measured CT numbers on tissue attenuation, method, and their interaction. Root mean square values of systematic error over all inserts at 60, 100, and 140 keV were approximately 53, 21, and 29 Hounsfield unit (HU) with the single-source projection-based method, and 46, 7, and 6 HU with the dual-source image-based method, respectively. Linear regression analysis revealed that the interaction between the attenuation and the method had a statistically significant effect on the measured CT numbers at 100 and 140 keV. There were attenuation-, method-, and energy level-dependent systematic errors in the measured virtual monochromatic CT numbers. CT number reproducibility was comparable between the two scanners, and CT numbers had better accuracy with the dual-source image-based method at 100 and 140 keV. Copyright © 2018 The Association of University Radiologists. Published by Elsevier Inc. All rights reserved.

  14. Optimization of NANOGrav's time allocation for maximum sensitivity to single sources

    International Nuclear Information System (INIS)

    Christy, Brian; Anella, Ryan; Lommen, Andrea; Camuccio, Richard; Handzo, Emma; Finn, Lee Samuel

    2014-01-01

    Pulsar timing arrays (PTAs) are a collection of precisely timed millisecond pulsars (MSPs) that can search for gravitational waves (GWs) in the nanohertz frequency range by observing characteristic signatures in the timing residuals. The sensitivity of a PTA depends on the direction of the propagating GW source, the timing accuracy of the pulsars, and the allocation of the available observing time. The goal of this paper is to determine the optimal time allocation strategy among the MSPs in the North American Nanohertz Observatory for Gravitational Waves (NANOGrav) for a single source of GW under a particular set of assumptions. We consider both an isotropic distribution of sources across the sky and a specific source in the Virgo cluster. This work improves on previous efforts by modeling the effect of intrinsic spin noise for each pulsar. We find that, in general, the array is optimized by maximizing time spent on the best-timed pulsars, with sensitivity improvements typically ranging from a factor of 1.5 to 4.

  15. A single-phase embedded Z-source DC-AC inverter.

    Science.gov (United States)

    Kim, Se-Jin; Lim, Young-Cheol

    2014-01-01

    In the conventional DC-AC inverter consisting of two DC-DC converters with unipolar output capacitors, the output capacitor voltages of the DC-DC converters must be higher than the DC input voltage. To overcome this weakness, this paper proposes a single-phase DC-AC inverter consisting of two embedded Z-source converters with bipolar output capacitors. The proposed inverter is composed of two embedded Z-source converters with a common DC source and output AC load. Though the output capacitor voltages of the converters are relatively low compared to those of a conventional inverter, an equivalent level of AC output voltages can be obtained. Moreover, by controlling the output capacitor voltages asymmetrically, the AC output voltage of the proposed inverter can be higher than the DC input voltage. To verify the validity of the proposed inverter, experiments were performed with a DC source voltage of 38 V. By controlling the output capacitor voltages of the converters symmetrically or asymmetrically, the proposed inverter can produce sinusoidal AC output voltages. The experiments show that efficiencies of up to 95% and 97% can be achieved with the proposed inverter using symmetric and asymmetric control, respectively.

  16. Dual-source CT coronary angiography in patients with atrial fibrillation: Comparison with single-source CT

    International Nuclear Information System (INIS)

    Wang Yining; Zhang Zhuhua; Kong Lingyan; Song Lan; Merges, Reto D.; Chen Jiuhong; Jin Zhengyu

    2008-01-01

    Objective: To evaluate the performance of dual-source computed tomography (DSCT) for the visualization of the coronary arteries in a population with atrial fibrillation (AF) compared to single-source CT (SSCT) and to explore the impact of patients' heart rate (HR) on image quality (IQ) and reconstruction timing. Methods: Thirty consecutive patients (11 male, 19 female; 69.0 ± 9.2 years old) with suspected coronary artery disease and permanent AF were examined on a DSCT scanner (120 kV, 400 mAs/rot, 0.33 s rotation time, 64 x 0.6 mm collimation, pitch 0.20-0.28, Siemens Somatom Definition). Patients were divided into two groups: low and medium HR group (HR ≤ 80 bpm, n = 14) and high HR group (HR > 80 bpm, n = 16). Five of the patients also underwent conventional coronary angiography (CAG). The raw data from both tube detector arrays were reconstructed as DSCT data using a routine algorithm (temporal resolution of 83 ms). The raw data from one tube detector array was reconstructed separately on the same system using a routine single source algorithm (temporal resolution of 83-165 ms) and defined as virtual SSCT data. Image quality was assessed using a four-point grading scale from excellent (1) to non-assessable (4). Results: IQ of the DSCT data was significantly better than that of the virtual SSCT data (mean score 1.33 ± 0.61 vs. 1.80 ± 1.02; Z = -8.755, P = 0.000). 98.6% of the segments shown in DSCT were diagnostic, compared with 89.9% of the segments in virtual SSCT, χ 2 = 32.595, P = 0.000. In DSCT group, IQ of low HR group was also better than that of high HR group, although the difference was not as big (mean score 1.25 ± 0.52 vs. 1.38 ± 0.66; Z = -2.227, P = 0.026). The mean HR of low HR group and high HR group were 67.4 ± 8.5 beats per minute (bpm) and 94.2 ± 8.8 bpm (t = -8.499, P = 0.000). The range of the variation of HR was higher in high HR group than in low HR group (mean difference between maximum and minimum HR 79.5 ± 21.0 vs. 49.9 ± 21

  17. Dual-source CT coronary angiography in patients with atrial fibrillation: Comparison with single-source CT

    Energy Technology Data Exchange (ETDEWEB)

    Wang Yining [Department of Radiology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China)], E-mail: yiningpumc@hotmail.com; Zhang Zhuhua [Department of Radiology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China)], E-mail: yiningpumc@sina.com; Kong Lingyan [Department of Radiology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China)], E-mail: klyan78@hotmail.com; Song Lan [Department of Radiology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China)], E-mail: sallysonglan@sina.com; Merges, Reto D. [CT Research Collaboration, Siemens Ltd. (China)], E-mail: reto.merges@siemens.com; Chen Jiuhong [CT Research Collaboration, Siemens Ltd. (China)], E-mail: jiuhong.chen@siemens.com; Jin Zhengyu [Department of Radiology, Peking Union Medical College Hospital, Chinese Academy of Medical Sciences, Beijing (China)], E-mail: jin_zhengyu@sina.com

    2008-12-15

    Objective: To evaluate the performance of dual-source computed tomography (DSCT) for the visualization of the coronary arteries in a population with atrial fibrillation (AF) compared to single-source CT (SSCT) and to explore the impact of patients' heart rate (HR) on image quality (IQ) and reconstruction timing. Methods: Thirty consecutive patients (11 male, 19 female; 69.0 {+-} 9.2 years old) with suspected coronary artery disease and permanent AF were examined on a DSCT scanner (120 kV, 400 mAs/rot, 0.33 s rotation time, 64 x 0.6 mm collimation, pitch 0.20-0.28, Siemens Somatom Definition). Patients were divided into two groups: low and medium HR group (HR {<=} 80 bpm, n = 14) and high HR group (HR > 80 bpm, n = 16). Five of the patients also underwent conventional coronary angiography (CAG). The raw data from both tube detector arrays were reconstructed as DSCT data using a routine algorithm (temporal resolution of 83 ms). The raw data from one tube detector array was reconstructed separately on the same system using a routine single source algorithm (temporal resolution of 83-165 ms) and defined as virtual SSCT data. Image quality was assessed using a four-point grading scale from excellent (1) to non-assessable (4). Results: IQ of the DSCT data was significantly better than that of the virtual SSCT data (mean score 1.33 {+-} 0.61 vs. 1.80 {+-} 1.02; Z = -8.755, P = 0.000). 98.6% of the segments shown in DSCT were diagnostic, compared with 89.9% of the segments in virtual SSCT, {chi}{sup 2} = 32.595, P = 0.000. In DSCT group, IQ of low HR group was also better than that of high HR group, although the difference was not as big (mean score 1.25 {+-} 0.52 vs. 1.38 {+-} 0.66; Z = -2.227, P = 0.026). The mean HR of low HR group and high HR group were 67.4 {+-} 8.5 beats per minute (bpm) and 94.2 {+-} 8.8 bpm (t = -8.499, P = 0.000). The range of the variation of HR was higher in high HR group than in low HR group (mean difference between maximum and minimum HR

  18. A calderón-preconditioned single source combined field integral equation for analyzing scattering from homogeneous penetrable objects

    KAUST Repository

    Valdés, Felipe

    2011-06-01

    A new regularized single source equation for analyzing scattering from homogeneous penetrable objects is presented. The proposed equation is a linear combination of a Calderón-preconditioned single source electric field integral equation and a single source magnetic field integral equation. The equation is immune to low-frequency and dense-mesh breakdown, and free from spurious resonances. Unlike dual source formulations, this equation involves operator products that cannot be discretized using standard procedures for discretizing standalone electric, magnetic, and combined field operators. Instead, the single source equation proposed here is discretized using a recently developed technique that achieves a well-conditioned mapping from div- to curl-conforming function spaces, thereby fully respecting the space mapping properties of the operators involved, and guaranteeing accuracy and stability. Numerical results show that the proposed equation and discretization technique give rise to rapidly convergent solutions. They also validate the equation\\'s resonant free character. © 2006 IEEE.

  19. Molecular line study of massive star-forming regions from the Red MSX Source survey

    Science.gov (United States)

    Yu, Naiping; Wang, Jun-Jie

    2014-05-01

    In this paper, we have selected a sample of massive star-forming regions from the Red MSX Source survey, in order to study star formation activities (mainly outflow and inflow signatures). We have focused on three molecular lines from the Millimeter Astronomy Legacy Team Survey at 90 GHz: HCO+(1-0), H13CO+(1-0) and SiO(2-1). According to previous observations, our sources can be divided into two groups: nine massive young stellar object candidates (radio-quiet) and 10 H II regions (which have spherical or unresolved radio emissions). Outflow activities have been found in 11 sources, while only three show inflow signatures in all. The high outflow detection rate means that outflows are common in massive star-forming regions. The inflow detection rate was relatively low. We suggest that this was because of the beam dilution of the telescope. All three inflow candidates have outflow(s). The outward radiation and thermal pressure from the central massive star(s) do not seem to be strong enough to halt accretion in G345.0034-00.2240. Our simple model of G318.9480-00.1969 shows that it has an infall velocity of about 1.8 km s-1. The spectral energy distribution analysis agrees our sources are massive and intermediate-massive star formation regions.

  20. Molecular Approaches to Understanding Transmission and Source Attribution in Nontyphoidal Salmonella and Their Application in Africa.

    Science.gov (United States)

    Mather, Alison E; Vaughan, Timothy G; French, Nigel P

    2015-11-01

    Nontyphoidal Salmonella (NTS) is a frequent cause of diarrhea around the world, yet in many African countries it is more commonly associated with invasive bacterial disease. Various source attribution models have been developed that utilize microbial subtyping data to assign cases of human NTS infection to different animal populations and foods of animal origin. Advances in molecular microbial subtyping approaches, in particular whole-genome sequencing, provide higher resolution data with which to investigate these sources. In this review, we provide updates on the source attribution models developed for Salmonella, and examine the application of whole-genome sequencing data combined with evolutionary modeling to investigate the putative sources and transmission pathways of NTS, with a focus on the epidemiology of NTS in Africa. This is essential information to decide where, what, and how control strategies might be applied most effectively. © The Author 2015. Published by Oxford University Press on behalf of the Infectious Diseases Society of America. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  1. Single particle analysis of eastern Mediterranean aerosol particles: Influence of the source region on the chemical composition

    Science.gov (United States)

    Clemen, Hans-Christian; Schneider, Johannes; Köllner, Franziska; Klimach, Thomas; Pikridas, Michael; Stavroulas, Iasonas; Sciare, Jean; Borrmann, Stephan

    2017-04-01

    The Mediterranean region is one of the most climatically sensitive areas and is influenced by air masses of different origin. Aerosol particles are one important factor contributing to the Earth's radiative forcing, but knowledge about their composition and sources is still limited. Here, we report on results from the INUIT-BACCHUS-ACTRIS campaign, which was conducted at the Cyprus Atmospheric Observatory (CAO, Agia Marina Xyliatou) in Cyprus in April 2016. Our results show that the chemical composition of the aerosol particles in the eastern Mediterranean is strongly dependent on their source region. The composition of particles in a size range between 150 nm and 3 μm was measured using the Aircraft-based Laser ABlation Aerosol MAss spectrometer (ALABAMA), which is a single particle laser ablation instrument using a bipolar time-of-flight mass spectrometer. The mass spectral information on cations and anions allow for the analysis of different molecular fragments. The information about the source regions results from backward trajectories using HYSPLIT Trajectory Model (Trajectory Ensemble) on hourly basis. To assess the influence of certain source regions on the air masses arriving at CAO, we consider the number of trajectories that crossed the respective source region within defined time steps. For a more detailed picture also the height and the velocity of the air masses during their overpass above the source regions will be considered. During the campaign at CAO in April 2016 three main air mass source regions were observed: 1) Northern Central Europe, likely with an enhanced anthropogenic influence (e.g. sulfate and black carbon from combustion processes, fly ash particles from power plants, characterized by Sr and Ba), 2) Southwest Europe, with a higher influence of the Mediterranean Sea including sea salt particles (characterized by, e.g., NaxCly, NaClxNOy), 3) Northern Africa/Sahara, with air masses that are expected to have a higher load of mineral dust

  2. Further studies of the role of dense molecular clouds around outflow sources

    International Nuclear Information System (INIS)

    Verdes-Montenegro, L.; Torrelles, J.M.; Rodriguez, L.F.; Anglada, G.; Lopez, R.

    1989-01-01

    The (J,K) = (1,1) and (2,2) ammonia inversion transitions toward six regions with active star formation and evidence of gas outflows have been observed. Ammonia emission has been detected and mapped in five of these regions: AFGL 5142, AFGL 5157, AFGL 6366S, HHL 73, and S140N. NH3 (2,2) emission was detected toward the peak of the NH3 (1,1) core of AFGL 5157 and S140N. A rotational temperature of T(R) (2,2;1,1) = about 16 K was estimated for the two regions. Two new H2O masers of intense emission, S(nu) greater or equal 40 Jy, were detected toward the ammonia cores of AFGL 5142 and AFGL 5157. It is clear that the dense NH3 gas is closely associated with the star formation activities, since the ammonia cores in all peak close to the centers of activity. In particular, the AFGL 5157 ammonia condensation coincides with the geometrical center of a bipolar molecular outflow, suggesting that the exciting source is embedded in the ammonia core. In contrast, the molecular outflow in the AFGL 6366S region is located at the southeast edge of the NH3 condensation, suggesting that the exciting source is outside the ammonia core and that the morphology of the outflow may be influenced by the interaction with the dense ambient gas. 52 refs

  3. Polyquant CT: direct electron and mass density reconstruction from a single polyenergetic source

    Science.gov (United States)

    Mason, Jonathan H.; Perelli, Alessandro; Nailon, William H.; Davies, Mike E.

    2017-11-01

    Quantifying material mass and electron density from computed tomography (CT) reconstructions can be highly valuable in certain medical practices, such as radiation therapy planning. However, uniquely parameterising the x-ray attenuation in terms of mass or electron density is an ill-posed problem when a single polyenergetic source is used with a spectrally indiscriminate detector. Existing approaches to single source polyenergetic modelling often impose consistency with a physical model, such as water-bone or photoelectric-Compton decompositions, which will either require detailed prior segmentation or restrictive energy dependencies, and may require further calibration to the quantity of interest. In this work, we introduce a data centric approach to fitting the attenuation with piecewise-linear functions directly to mass or electron density, and present a segmentation-free statistical reconstruction algorithm for exploiting it, with the same order of complexity as other iterative methods. We show how this allows both higher accuracy in attenuation modelling, and demonstrate its superior quantitative imaging, with numerical chest and metal implant data, and validate it with real cone-beam CT measurements.

  4. An Oblivious O(1)-Approximation for Single Source Buy-at-Bulk

    KAUST Repository

    Goel, Ashish

    2009-10-01

    We consider the single-source (or single-sink) buy-at-bulk problem with an unknown concave cost function. We want to route a set of demands along a graph to or from a designated root node, and the cost of routing x units of flow along an edge is proportional to some concave, non-decreasing function f such that f(0) = 0. We present a polynomial time algorithm that finds a distribution over trees such that the expected cost of a tree for any f is within an O(1)-factor of the optimum cost for that f. The previous best simultaneous approximation for this problem, even ignoring computation time, was O(log |D|), where D is the multi-set of demand nodes. We design a simple algorithmic framework using the ellipsoid method that finds an O(1)-approximation if one exists, and then construct a separation oracle using a novel adaptation of the Guha, Meyerson, and Munagala [10] algorithm for the single-sink buy-at-bulk problem that proves an O(1) approximation is possible for all f. The number of trees in the support of the distribution constructed by our algorithm is at most 1 + log |D|. © 2009 IEEE.

  5. Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers.

    Science.gov (United States)

    Taïbi, Khaled; Del Campo, Antonio D; Vilagrosa, Alberto; Bellés, José M; López-Gresa, María Pilar; Pla, Davinia; Calvete, Juan J; López-Nicolás, José M; Mulet, José M

    2017-01-01

    Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine) seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of predicting the ability of formerly uncharacterized seedlings to cope with drought stress. Gas-exchange, water potential, photosynthetic pigments, soluble sugars, free amino acids, glutathione and proteomic analyses were carried out on control and drought-stressed seedlings in greenhouse conditions. Gas-exchange determinations were also assessed in field-planted seedlings in order to validate the greenhouse experimental conditions. Drought-tolerant seed sources presented higher values of photosynthetic rates, water use efficiency, photosynthetic pigments and soluble carbohydrates concentrations. We observed the same pattern of variation of photosynthesis rate and maximal efficiency of PSII in field. Interestingly drought-tolerant seed sources exhibited increased levels of glutathione, methionine and cysteine. The proteomic profile of drought tolerant seedlings identified two heat shock proteins and an enzyme related to methionine biosynthesis that were not present in drought sensitive seedlings, pointing to the synthesis of sulfur amino acids as a limiting factor for drought tolerance in Pinus halepensis . Our results established physiological and molecular traits useful as distinctive markers to predict drought tolerance in Pinus halepensis provenances that could be reliably used in reforestation programs in drought prone areas.

  6. Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers

    Directory of Open Access Journals (Sweden)

    Khaled Taïbi

    2017-07-01

    Full Text Available Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of predicting the ability of formerly uncharacterized seedlings to cope with drought stress. Gas-exchange, water potential, photosynthetic pigments, soluble sugars, free amino acids, glutathione and proteomic analyses were carried out on control and drought-stressed seedlings in greenhouse conditions. Gas-exchange determinations were also assessed in field-planted seedlings in order to validate the greenhouse experimental conditions. Drought-tolerant seed sources presented higher values of photosynthetic rates, water use efficiency, photosynthetic pigments and soluble carbohydrates concentrations. We observed the same pattern of variation of photosynthesis rate and maximal efficiency of PSII in field. Interestingly drought-tolerant seed sources exhibited increased levels of glutathione, methionine and cysteine. The proteomic profile of drought tolerant seedlings identified two heat shock proteins and an enzyme related to methionine biosynthesis that were not present in drought sensitive seedlings, pointing to the synthesis of sulfur amino acids as a limiting factor for drought tolerance in Pinus halepensis. Our results established physiological and molecular traits useful as distinctive markers to predict drought tolerance in Pinus halepensis provenances that could be reliably used in reforestation programs in drought prone areas.

  7. Molecular Processes Studied at a Single-Molecule Level Using DNA Origami Nanostructures and Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Ilko Bald

    2014-09-01

    Full Text Available DNA origami nanostructures allow for the arrangement of different functionalities such as proteins, specific DNA structures, nanoparticles, and various chemical modifications with unprecedented precision. The arranged functional entities can be visualized by atomic force microscopy (AFM which enables the study of molecular processes at a single-molecular level. Examples comprise the investigation of chemical reactions, electron-induced bond breaking, enzymatic binding and cleavage events, and conformational transitions in DNA. In this paper, we provide an overview of the advances achieved in the field of single-molecule investigations by applying atomic force microscopy to functionalized DNA origami substrates.

  8. Boosting up quantum key distribution by learning statistics of practical single-photon sources

    International Nuclear Information System (INIS)

    Adachi, Yoritoshi; Yamamoto, Takashi; Koashi, Masato; Imoto, Nobuyuki

    2009-01-01

    We propose a simple quantum-key-distribution (QKD) scheme for practical single-photon sources (SPSs), which works even with a moderate suppression of the second-order correlation g (2) of the source. The scheme utilizes a passive preparation of a decoy state by monitoring a fraction of the signal via an additional beam splitter and a detector at the sender's side to monitor photon-number splitting attacks. We show that the achievable distance increases with the precision with which the sub-Poissonian tendency is confirmed in higher photon-number distribution of the source, rather than with actual suppression of the multiphoton emission events. We present an example of the secure key generation rate in the case of a poor SPS with g (2) =0.19, in which no secure key is produced with the conventional QKD scheme, and show that learning the photon-number distribution up to several numbers is sufficient for achieving almost the same distance as that of an ideal SPS.

  9. A bright single-photon source based on a photonic trumpet

    DEFF Research Database (Denmark)

    Munsch, Mathieu; Malik, Nitin S.; Bleuse, Joël

    Fiber-like photonic nanowires, which are optical waveguides made of a high refractive index material n, have recently emerged as non-resonant systems providing an efficient spontaneous emission (SE) control. When they embed a quantum emitter like a quantum dot (QD), they find application to the r......Fiber-like photonic nanowires, which are optical waveguides made of a high refractive index material n, have recently emerged as non-resonant systems providing an efficient spontaneous emission (SE) control. When they embed a quantum emitter like a quantum dot (QD), they find application...... to the realization of bright sources of quantum light and, reversibly, provide an efficient interface between propagating photons and the QD. For a wire diameter ∼ λ/n (λ is the operation wavelength), the fraction of QD SE coupled to the fundamental guided mode exceeds 90%. The collection of the photons can...... be brought close to unity with a proper engineering of the wire ends. In particular, a tapering of the top wire end is necessary to achieve a directive far-field emission pattern [1]. Recently, we have realized a single-photon source featuring a needle-like taper. The source efficiency, though record...

  10. Molecular-level chemistry of model single-crystal oxide surfaces with model halogenated compounds

    Science.gov (United States)

    Adib, Kaveh

    Synchrotron-based X-ray photoelectron spectroscopy (XPS), temperature-programmed desorption (TPD) and low energy electron diffraction (LEED) have been used to investigate, at a molecular level, the chemistry of different terminations of single crystal iron-oxide surfaces with probe molecules (CCl4 and D2O). Comparisons of the reactivity of these surfaces towards CCl4, indicate that the presence of an uncapped surface Fe cation (strong Lewis acid site) and an adjacent oxygen site capped by that cation can effect the C-Cl bond cleavage in CCl4, resulting in dissociatively adsorbed Cl-adatoms and carbon-containing fragments. If in addition to these sites, an uncapped surface oxygen (Lewis base) site is also available, the carbon-containing moiety can then move that site, coordinate itself with that uncapped oxygen, and stabilize itself. At a later step, the carbon-containing fragment may form a strong covalent bond with the uncapped oxygen and may even abstract that surface oxygen. On the other hand, if an uncapped oxygen is not available to stabilize the carbon-containing fragment, the surface coordination will not occur and upon the subsequent thermal annealing of the surface the Cl-adatoms and the carbon-containing fragments will recombine and desorb as CCl4. Finally, the presence of surface deuteroxyls blocking the strong Lewis acid and base sites of the reactive surface, passivates this surface. Such a deuteroxylated surface will be unreactive towards CCl 4. Such a molecular level understanding of the surface chemistry of metal-oxides will have applications in the areas of selective catalysis, including environmental catalysis, and chemical sensor technology.

  11. Manipulating molecular quantum states with classical metal atom inputs: demonstration of a single molecule NOR logic gate.

    Science.gov (United States)

    Soe, We-Hyo; Manzano, Carlos; Renaud, Nicolas; de Mendoza, Paula; De Sarkar, Abir; Ample, Francisco; Hliwa, Mohamed; Echavarren, Antonio M; Chandrasekhar, Natarajan; Joachim, Christian

    2011-02-22

    Quantum states of a trinaphthylene molecule were manipulated by putting its naphthyl branches in contact with single Au atoms. One Au atom carries 1-bit of classical information input that is converted into quantum information throughout the molecule. The Au-trinaphthylene electronic interactions give rise to measurable energy shifts of the molecular electronic states demonstrating a NOR logic gate functionality. The NOR truth table of the single molecule logic gate was characterized by means of scanning tunnelling spectroscopy.

  12. Industrially synthesized single-walled carbon nanotubes: compositional data for users, environmental risk assessments, and source apportionment

    Energy Technology Data Exchange (ETDEWEB)

    Plata, D L; Gschwend, P M [Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Reddy, C M [Department of Marine Chemistry and Geochemistry, Woods Hole Oceanographic Institution, Woods Hole, MA 02543 (United States)], E-mail: dplata@whoi.edu

    2008-05-07

    Commercially available single-walled carbon nanotubes (SWCNTs) contain large percentages of metal and carbonaceous impurities. These fractions influence the SWCNT physical properties and performance, yet their chemical compositions are not well defined. This lack of information also precludes accurate environmental risk assessments for specific SWCNT stocks, which emerging local legislation requires of nanomaterial manufacturers. To address these needs, we measured the elemental, molecular, and stable carbon isotope compositions of commercially available SWCNTs. As expected, catalytic metals occurred at per cent levels (1.3-29%), but purified materials also contained unexpected metals (e.g., Cu, Pb at 0.1-0.3 ppt). Nitrogen contents (up to 0.48%) were typically greater in arc-produced SWCNTs than in those derived from chemical vapor deposition. Toluene-extractable materials contributed less than 5% of the total mass of the SWCNTs. Internal standard losses during dichloromethane extractions suggested that metals are available for reductive dehalogenation reactions, ultimately resulting in the degradation of aromatic internal standards. The carbon isotope content of the extracted material suggested that SWCNTs acquired much of their carbonaceous contamination from their storage environment. Some of the SWCNTs, themselves, were highly depleted in {sup 13}C relative to petroleum-derived chemicals. The distinct carbon isotopic signatures and unique metal 'fingerprints' may be useful as environmental tracers allowing assessment of SWCNT sources to the environment.

  13. Spray Chemical Vapor Deposition of Single-Source Precursors for Chalcopyrite I-III-VI2 Thin-Film Materials

    Science.gov (United States)

    Hepp, Aloysius F.; Banger, Kulbinder K.; Jin, Michael H.-C.; Harris, Jerry D.; McNatt, Jeremiah S.; Dickman, John E.

    2008-01-01

    Thin-film solar cells on flexible, lightweight, space-qualified substrates provide an attractive approach to fabricating solar arrays with high mass-specific power. A polycrystalline chalcopyrite absorber layer is among the new generation of photovoltaic device technologies for thin film solar cells. At NASA Glenn Research Center we have focused on the development of new single-source precursors (SSPs) for deposition of semiconducting chalcopyrite materials onto lightweight, flexible substrates. We describe the syntheses and thermal modulation of SSPs via molecular engineering. Copper indium disulfide and related thin-film materials were deposited via aerosol-assisted chemical vapor deposition using SSPs. Processing and post-processing parameters were varied in order to modify morphology, stoichiometry, crystallography, electrical properties, and optical properties to optimize device quality. Growth at atmospheric pressure in a horizontal hotwall reactor at 395 C yielded the best device films. Placing the susceptor closer to the evaporation zone and flowing a more precursor-rich carrier gas through the reactor yielded shinier-, smoother-, and denser-looking films. Growth of (112)-oriented films yielded more Cu-rich films with fewer secondary phases than growth of (204)/(220)-oriented films. Post-deposition sulfur-vapor annealing enhanced stoichiometry and crystallinity of the films. Photoluminescence studies revealed four major emission bands and a broad band associated with deep defects. The highest device efficiency for an aerosol-assisted chemical vapor deposited cell was one percent.

  14. Xenon gas field ion source from a single-atom tip

    Science.gov (United States)

    Lai, Wei-Chiao; Lin, Chun-Yueh; Chang, Wei-Tse; Li, Po-Chang; Fu, Tsu-Yi; Chang, Chia-Seng; Tsong, T. T.; Hwang, Ing-Shouh

    2017-06-01

    Focused ion beam (FIB) systems have become powerful diagnostic and modification tools for nanoscience and nanotechnology. Gas field ion sources (GFISs) built from atomic-size emitters offer the highest brightness among all ion sources and thus can improve the spatial resolution of FIB systems. Here we show that the Ir/W(111) single-atom tip (SAT) can emit high-brightness Xe+ ion beams with a high current stability. The ion emission current versus extraction voltage was analyzed from 150 K up to 309 K. The optimal emitter temperature for maximum Xe+ ion emission was ˜150 K and the reduced brightness at the Xe gas pressure of 1 × 10-4 torr is two to three orders of magnitude higher than that of a Ga liquid metal ion source, and four to five orders of magnitude higher than that of a Xe inductively coupled plasma ion source. Most surprisingly, the SAT emitter remained stable even when operated at 309 K. Even though the ion current decreased with increasing temperature, the current at room temperature (RT) could still reach over 1 pA when the gas pressure was higher than 1 × 10-3 torr, indicating the feasibility of RT-Xe-GFIS for application to FIB systems. The operation temperature of Xe-SAT-GFIS is considerably higher than the cryogenic temperature required for the helium ion microscope (HIM), which offers great technical advantages because only simple or no cooling schemes can be adopted. Thus, Xe-GFIS-FIB would be easy to implement and may become a powerful tool for nanoscale milling and secondary ion mass spectroscopy.

  15. Towards Controlled Single-Molecule Manipulation Using “Real-Time” Molecular Dynamics Simulation: A GPU Implementation

    Directory of Open Access Journals (Sweden)

    Dyon van Vreumingen

    2018-05-01

    Full Text Available Molecular electronics saw its birth with the idea to build electronic circuitry with single molecules as individual components. Even though commercial applications are still modest, it has served an important part in the study of fundamental physics at the scale of single atoms and molecules. It is now a routine procedure in many research groups around the world to connect a single molecule between two metallic leads. What is unknown is the nature of this coupling between the molecule and the leads. We have demonstrated recently (Tewari, 2018, Ph.D. Thesis our new setup based on a scanning tunneling microscope, which can be used to controllably manipulate single molecules and atomic chains. In this article, we will present the extension of our molecular dynamic simulator attached to this system for the manipulation of single molecules in real time using a graphics processing unit (GPU. This will not only aid in controlled lift-off of single molecules, but will also provide details about changes in the molecular conformations during the manipulation. This information could serve as important input for theoretical models and for bridging the gap between the theory and experiments.

  16. Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

    Science.gov (United States)

    Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

    2017-11-01

    Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

  17. Model-based evaluation of the use of polycyclic aromatic hydrocarbons molecular diagnostic ratios as a source identification tool

    International Nuclear Information System (INIS)

    Katsoyiannis, Athanasios; Breivik, Knut

    2014-01-01

    Polycyclic Aromatic Hydrocarbons (PAHs) molecular diagnostic ratios (MDRs) are unitless concentration ratios of pair-PAHs with the same molecular weight (MW); MDRs have long been used as a tool for PAHs source identification purposes. In the present paper, the efficiency of the MDR methodology is evaluated through the use of a multimedia fate model, the calculation of characteristic travel distances (CTD) and the estimation of air concentrations for individual PAHs as a function of distance from an initial point source. The results show that PAHs with the same MW are sometimes characterized by substantially different CTDs and therefore their air concentrations and hence MDRs are predicted to change as the distance from the original source increases. From the assessed pair-PAHs, the biggest CTD difference is seen for Fluoranthene (107 km) vs. Pyrene (26 km). This study provides a strong indication that MDRs are of limited use as a source identification tool. -- Highlights: • Model-based evaluation of the PAHs molecular diagnostic ratios efficiency. • Individual PAHs are characterized by different characteristic travel distances. • MDRs are proven to be a limited tool for source identification. • Use of MDRs for other environmental media is likely unfeasible. -- PAHs molecular diagnostic ratios which change greatly as a function of distance from the emitting source are improper for source identification purposes

  18. Performance Evaluation of the Single-Phase Split-Source Inverter Using an Alternative DC-AC Configuration

    DEFF Research Database (Denmark)

    Abdelhakim, Ahmed; Mattavelli, Paolo; Davari, Pooya

    2018-01-01

    This paper investigates and evaluates the performance of a single-phase split-source inverter (SSI), where an alternative unidirectional dc-ac configuration is used. Such configuration is utilized in order to use two common-cathode diodes in a single-device instead of using two separate diodes, r...

  19. Steps towards single source--collecting data about quality of life within clinical information systems.

    Science.gov (United States)

    Fritz, Fleur; Ständer, Sonja; Breil, Bernhard; Dugas, Martin

    2010-01-01

    Information about the quality of life from patients being treated in routine medical care is important for the attending physician. This data is also needed in research for example to evaluate the therapy and the course of the disease respectively. Especially skin diseases often negatively affect the quality of life. Therefore we aimed to design a concept to collect such data during treatment and use it for both medical care and research in the setting of dermatology. We performed a workflow analysis and implemented a designated form using the tools of the local clinical information system. Quality of life data is now collected within the clinical information system during treatment and is used for discharge letters, progress overviews as well as research about the treatment and course of disease. This concept which contributes to the single source approach was feasible within dermatology and is ready to be expanded into other domains.

  20. I19, the small-molecule single-crystal diffraction beamline at Diamond Light Source.

    Science.gov (United States)

    Nowell, Harriott; Barnett, Sarah A; Christensen, Kirsten E; Teat, Simon J; Allan, David R

    2012-05-01

    The dedicated small-molecule single-crystal X-ray diffraction beamline (I19) at Diamond Light Source has been operational and supporting users for over three years. I19 is a high-flux tunable-wavelength beamline and its key details are described in this article. Much of the work performed on the beamline involves structure determination from small and weakly diffracting crystals. Other experiments that have been supported to date include structural studies at high pressure, studies of metastable species, variable-temperature crystallography, studies involving gas exchange in porous materials and structural characterizations that require analysis of the diffuse scattering between Bragg reflections. A range of sample environments to facilitate crystallographic studies under non-ambient conditions are available as well as a number of options for automation. An indication of the scope of the science carried out on the beamline is provided by the range of highlights selected for this paper.

  1. Prograph Based Analysis of Single Source Shortest Path Problem with Few Distinct Positive Lengths

    Directory of Open Access Journals (Sweden)

    B. Bhowmik

    2011-08-01

    Full Text Available In this paper we propose an experimental study model S3P2 of a fast fully dynamic programming algorithm design technique in finite directed graphs with few distinct nonnegative real edge weights. The Bellman-Ford’s approach for shortest path problems has come out in various implementations. In this paper the approach once again is re-investigated with adjacency matrix selection in associate least running time. The model tests proposed algorithm against arbitrarily but positive valued weighted digraphs introducing notion of Prograph that speeds up finding the shortest path over previous implementations. Our experiments have established abstract results with the intention that the proposed algorithm can consistently dominate other existing algorithms for Single Source Shortest Path Problems. A comparison study is also shown among Dijkstra’s algorithm, Bellman-Ford algorithm, and our algorithm.

  2. Highly efficient photonic nanowire single-photon sources for quantum information applications

    DEFF Research Database (Denmark)

    Gregersen, Niels; Claudon, J.; Munsch, M.

    2013-01-01

    to a collection efficiency of only 1-2 %, and efficient light extraction thus poses a major challenge in SPS engineering. Initial efforts to improve the efficiency have exploited cavity quantum electrodynamics (cQED) to efficiently couple the emitted photons to the optical cavity mode. An alternative approach......Within the emerging field of optical quantum information processing, the current challenge is to construct the basic building blocks for the quantum computing and communication systems. A key component is the singlephoton source (SPS) capable of emitting single photons on demand. Ideally, the SPS...... must feature near-unity efficiency, where the efficiency is defined as the number of detected photons per trigger, the probability g(2)(τ=0) of multi-photon emission events should be 0 and the emitted photons are required to be indistinguishable. An optically or electrically triggered quantum light...

  3. Morphology-controlled synthesis of ZnS nanostructures via single-source approaches

    International Nuclear Information System (INIS)

    Han, Qiaofeng; Qiang, Fei; Wang, Meijuan; Zhu, Junwu; Lu, Lude; Wang, Xin

    2010-01-01

    ZnS nanoparticles of various morphologies, including hollow or solid spherical, and polyhedral shape, were synthesized from single-source precursor Zn(S 2 COC 2 H 5 ) 2 without using a surfactant or template. The as-prepared samples were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy. The results indicate that ZnS hollow and solid spheres assembled by nanoparticles can be easily generated by the solution phase thermalysis of Zn(S 2 COC 2 H 5 ) 2 at 80 o C using N, N-dimethylformamide (DMF) and ethylene glycol (EG) or water as solvents, respectively, whereas solvothermal process of the same precursor led to ZnS nanoparticles of polyhedral shape with an average size of 120 nm. The optical properties of these ZnS nanostructures were investigated by room-temperature luminescence and UV-vis diffuse reflectance spectra.

  4. Formation of Micro and Mesoporous Amorphous Silica-Based Materials from Single Source Precursors

    Directory of Open Access Journals (Sweden)

    Mohd Nazri Mohd Sokri

    2016-03-01

    Full Text Available Polysilazanes functionalized with alkoxy groups were designed and synthesized as single source precursors for fabrication of micro and mesoporous amorphous silica-based materials. The pyrolytic behaviors during the polymer to ceramic conversion were studied by the simultaneous thermogravimetry-mass spectrometry (TG-MS analysis. The porosity of the resulting ceramics was characterized by the N2 adsorption/desorption isotherm measurements. The Fourier transform infrared spectroscopy (FT-IR and Raman spectroscopic analyses as well as elemental composition analysis were performed on the polymer-derived amorphous silica-based materials, and the role of the alkoxy group as a sacrificial template for the micro and mesopore formations was discussed from a viewpoint to establish novel micro and mesoporous structure controlling technologies through the polymer-derived ceramics (PDCs route.

  5. Influence of modulation method on using LC-traps with single-phase voltage source converters

    DEFF Research Database (Denmark)

    Wang, Xiongfei; Min, Huang; Bai, Haofeng

    2015-01-01

    The switching-frequency LC-trap filter has recently been employed with high-order passive filters for Voltage Source Inverters (VSIs). This paper investigates the influence of modulation method on using the LC-traps with single-phase VSIs. Two-level (bipolar) and three-level (unipolar) modulations...... that include phase distortion and alternative phase opposition distortion methods are analyzed. Harmonic filtering performances of four LC-trap-based filters with different locations of LC-traps are compared. It is shown that the use of parallel-LC-traps in series with filter inductors, either grid...... or converter side, has a worse harmonic filtering performance than using series-LC-trap in the shunt branch. Simulations and experimental results are presented for verifications....

  6. Reference-Frame-Independent and Measurement-Device-Independent Quantum Key Distribution Using One Single Source

    Science.gov (United States)

    Li, Qian; Zhu, Changhua; Ma, Shuquan; Wei, Kejin; Pei, Changxing

    2018-04-01

    Measurement-device-independent quantum key distribution (MDI-QKD) is immune to all detector side-channel attacks. However, practical implementations of MDI-QKD, which require two-photon interferences from separated independent single-photon sources and a nontrivial reference alignment procedure, are still challenging with current technologies. Here, we propose a scheme that significantly reduces the experimental complexity of two-photon interferences and eliminates reference frame alignment by the combination of plug-and-play and reference frame independent MDI-QKD. Simulation results show that the secure communication distance can be up to 219 km in the finite-data case and the scheme has good potential for practical MDI-QKD systems.

  7. A molecular beacon microarray based on a quantum dot label for detecting single nucleotide polymorphisms.

    Science.gov (United States)

    Guo, Qingsheng; Bai, Zhixiong; Liu, Yuqian; Sun, Qingjiang

    2016-03-15

    In this work, we report the application of streptavidin-coated quantum dot (strAV-QD) in molecular beacon (MB) microarray assays by using the strAV-QD to label the immobilized MB, avoiding target labeling and meanwhile obviating the use of amplification. The MBs are stem-loop structured oligodeoxynucleotides, modified with a thiol and a biotin at two terminals of the stem. With the strAV-QD labeling an "opened" MB rather than a "closed" MB via streptavidin-biotin reaction, a sensitive and specific detection of label-free target DNA sequence is demonstrated by the MB microarray, with a signal-to-background ratio of 8. The immobilized MBs can be perfectly regenerated, allowing the reuse of the microarray. The MB microarray also is able to detect single nucleotide polymorphisms, exhibiting genotype-dependent fluorescence signals. It is demonstrated that the MB microarray can perform as a 4-to-2 encoder, compressing the genotype information into two outputs. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Molecular dynamics study on heat transport from single-walled carbon nanotubes to Si substrate

    Energy Technology Data Exchange (ETDEWEB)

    Feng, Ya; Zhu, Jie, E-mail: zhujie@iet.cn; Tang, Da-Wei

    2015-02-06

    In this paper, non-equilibrium molecular dynamics simulations were performed to investigate the heat transport between a vertically aligned single-walled carbon nanotube (SWNT) and Si substrate, to find out the influence of temperature and system sizes, including diameter and length of SWNT and measurements of substrate. Results revealed that high temperature hindered heat transport in SWNT itself but was a beneficial stimulus for heat transport at interface of SWNT and Si. Furthermore, the system sizes strongly affected the peaks in vibrational density of states of Si, which led to interfacial thermal conductance dependent on system sizes. - Highlights: • NEMD is performed to simulate the heat transport from SWNT to Si substrate. • We analyze both interfacial thermal conductance and thermal conductivity of SWNT. • High temperature is a beneficial stimulus for heat transport at the interface. • Interfacial thermal conductance strongly depends on the sizes of SWNT and substrate. • We calculate VDOS of C and Si atoms to analyze phonon couplings between them.

  9. Magnetoresistance effect of heat generation in a single-molecular spin-valve

    International Nuclear Information System (INIS)

    Jiang, Feng; Yan, Yonghong; Wang, Shikuan; Yan, Yijing

    2016-01-01

    Based on non-equilibrium Green's functions' theory and small polaron transformation's technology, we study the heat generation by current through a single-molecular spin-valve. Numerical results indicate that the variation of spin polarization degree can change heat generation effectively, the spin-valve effect happens not only in electrical current but also in heat generation when Coulomb repulsion in quantum dot is smaller than phonon frequency and interestingly, when Coulomb repulsion is larger than phonon frequency, the inverse spin-valve effect appears by sweeping gate voltage and is enlarged with bias increasing. The inverse spin-valve effect will induce the unique heat magnetoresistance effect, which can be modulated from heat-resistance to heat-gain by gate voltage easily. - Highlights: • Spin-valve effect of heat generation happens when Coulomb repulsion in quantum dot is less than phonon frequency. • When Coulomb repulsion is larger than phonon frequency, inverse spin-valve effect appears and is enlarged with bias increasing. • The variation of spin polarization degree can change heat generation effectively. • The heat magnetoresistance can be modulated from heat-resistance to heat-gain by gate voltage easily.

  10. Antiferromagnetic Mott insulating state in the single-component molecular material Pd(tmdt)2

    Science.gov (United States)

    Takagi, Rina; Sari, Dita Puspita; Mohd-Tajudin, Saidah Sakinah; Ashi, Retno; Watanabe, Isao; Ishibashi, Shoji; Miyagawa, Kazuya; Ogura, Satomi; Zhou, Biao; Kobayashi, Akiko; Kanoda, Kazushi

    2017-12-01

    A family of compounds built by a single molecular species, M (tmdt) 2, with a metal ion, M , and organic ligands, tmdt, affords diverse electronic phases due to M -dependent interplays between d electrons in M , and π electrons in tmdt. We investigated the spin state in Pd (tmdt) 2 , a π -electron system without a d -electron contribution, through 1H nuclear magnetic resonance (NMR) and muon-spin resonance experiments. The temperature profiles of the NMR linewidth, relaxation rate, and asymmetry parameter in muon decay show an inhomogeneous antiferromagnetic order with moments distributed around ˜0.1 μB that onsets at above 100 K. This result provides an example of the antiferromagnetic order in a pure π -electron system in M (tmdt) 2, and it demonstrates that correlation among the π electrons is so strong as to give the Néel temperature over 100 K. The small and inhomogeneous moments are understandable as the crucial disorder effect in correlated electrons situated near the Mott transition.

  11. Single-layered graphene oxide nanosheet/polyaniline hybrids fabricated through direct molecular exfoliation.

    Science.gov (United States)

    Chen, Guan-Liang; Shau, Shi-Min; Juang, Tzong-Yuan; Lee, Rong-Ho; Chen, Chih-Ping; Suen, Shing-Yi; Jeng, Ru-Jong

    2011-12-06

    In this study, we used direct molecular exfoliation for the rapid, facile, large-scale fabrication of single-layered graphene oxide nanosheets (GOSs). Using macromolecular polyaniline (PANI) as a layered space enlarger, we readily and rapidly synthesized individual GOSs at room temperature through the in situ polymerization of aniline on the 2D GOS platform. The chemically modified GOS platelets formed unique 2D-layered GOS/PANI hybrids, with the PANI nanorods embedded between the GO interlayers and extended over the GO surface. X-ray diffraction revealed that intergallery expansion occurred in the GO basal spacing after the PANI nanorods had anchored and grown onto the surface of the GO layer. Transparent folding GOSs were, therefore, observed in transmission electron microscopy images. GOS/PANI nanohybrids possessing high conductivities and large work functions have the potential for application as electrode materials in optoelectronic devices. Our dispersion/exfoliation methodology is a facile means of preparing individual GOS platelets with high throughput, potentially expanding the applicability of nanographene oxide materials. © 2011 American Chemical Society

  12. Molecular hierarchy in neurons differentiated from mouse ES cells containing a single human chromosome 21.

    Science.gov (United States)

    Wang, Chi Chiu; Kadota, Mitsutaka; Nishigaki, Ryuichi; Kazuki, Yasuhiro; Shirayoshi, Yasuaki; Rogers, Michael Scott; Gojobori, Takashi; Ikeo, Kazuho; Oshimura, Mitsuo

    2004-02-06

    Defects in neurogenesis and neuronal differentiation in the fetal brain of Down syndrome (DS) patients lead to the apparent neuropathological abnormalities and contribute to the phenotypic characters of mental retardation, and premature development of Alzheimer's disease, those being the most common phenotype in DS. In order to understand the molecular mechanism underlying the cause of phenotypic abnormalities in the DS brain, we have utilized an in vitro model of TT2F mouse embryonic stem cells containing a single human chromosome 21 (hChr21) to study neuron development and neuronal differentiation by microarray containing 15K developmentally expressed cDNAs. Defective neuronal differentiation in the presence of extra hChr21 manifested primarily the post-transcriptional and translational modification, such as Mrpl10, SNAPC3, Srprb, SF3a60 in the early neuronal stem cell stage, and Mrps18a, Eef1g, and Ubce8 in the late differentiated stage. Hierarchical clustering patterned specific expression of hChr21 gene dosage effects on neuron outgrowth, migration, and differentiation, such as Syngr2, Dncic2, Eif3sf, and Peg3.

  13. Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

    Energy Technology Data Exchange (ETDEWEB)

    Henry, Rowan M; Caplan, David; Pomes, Regis [Molecular Structure and Function, Hospital for Sick Children, Toronto, ON, M5G 1X8 (Canada); Fadda, Elisa, E-mail: pomes@sickkids.ca [Department of Chemistry, University of Galway (Ireland)

    2011-06-15

    Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

  14. Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

    International Nuclear Information System (INIS)

    Henry, Rowan M; Caplan, David; Pomes, Regis; Fadda, Elisa

    2011-01-01

    Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

  15. Molecular basis of proton uptake in single and double mutants of cytochrome c oxidase

    Science.gov (United States)

    Henry, Rowan M.; Caplan, David; Fadda, Elisa; Pomès, Régis

    2011-06-01

    Cytochrome c oxidase, the terminal enzyme of the respiratory chain, utilizes the reduction of dioxygen into water to pump protons across the mitochondrial inner membrane. The principal pathway of proton uptake into the enzyme, the D channel, is a 2.5 nm long channel-like cavity named after a conserved, negatively charged aspartic acid (D) residue thought to help recruiting protons to its entrance (D132 in the first subunit of the S. sphaeroides enzyme). The single-point mutation of D132 to asparagine (N), a neutral residue, abolishes enzyme activity. Conversely, replacing conserved N139, one-third into the D channel, by D, induces a decoupled phenotype, whereby oxygen reduction proceeds but not proton pumping. Intriguingly, the double mutant D132N/N139D, which conserves the charge of the D channel, restores the wild-type phenotype. We use molecular dynamics simulations and electrostatic calculations to examine the structural and physical basis for the coupling of proton pumping and oxygen chemistry in single and double N139D mutants. The potential of mean force for the conformational isomerization of N139 and N139D side chains reveals the presence of three rotamers, one of which faces the channel entrance. This out-facing conformer is metastable in the wild-type and in the N139D single mutant, but predominant in the double mutant thanks to the loss of electrostatic repulsion with the carboxylate group of D132. The effects of mutations and conformational isomerization on the pKa of E286, an essential proton-shuttling residue located at the top of the D channel, are shown to be consistent with the electrostatic control of proton pumping proposed recently (Fadda et al 2008 Biochim. Biophys. Acta 1777 277-84). Taken together, these results suggest that preserving the spatial distribution of charges at the entrance of the D channel is necessary to guarantee both the uptake and the relay of protons to the active site of the enzyme. These findings highlight the interplay

  16. Efficient fiber-coupled single-photon source based on quantum dots in a photonic-crystal waveguide

    DEFF Research Database (Denmark)

    Daveau, Raphaël S.; Balram, Krishna C.; Pregnolato, Tommaso

    2017-01-01

    Many photonic quantum information processing applications would benefit from a high brightness, fiber-coupled source of triggered single photons. Here, we present a fiber-coupled photonic-crystal waveguide (PCWG) singlephoton source relying on evanescent coupling of the light field from a tapered...

  17. 77 FR 30294 - Award of a Single Source Cooperative Agreement Grant to the Congressional Hunger Center in...

    Science.gov (United States)

    2012-05-22

    ... Source Cooperative Agreement Grant to the Congressional Hunger Center in Washington, DC AGENCY: Office of...) announces the award of a single source cooperative agreement to the Congressional Hunger Center in Washington, DC to support a Bill Emerson National Hunger Fellow. C.F.D.A. Number: 93.647. Statutory Authority...

  18. 75 FR 62838 - Award of a Single-Source Expansion Supplement to the Research Foundation of CUNY on Behalf of...

    Science.gov (United States)

    2010-10-13

    ...-Source Expansion Supplement to the Research Foundation of CUNY on Behalf of Hunter College School of... single-source program expansion supplement to the Research Foundation of CUNY on behalf of Hunter College... removal, of the relative's options to become a placement resource for the child. The supplemental funding...

  19. Optically pumped semiconductor lasers: Conception and characterization of a single mode source for Cesium atoms manipulation

    International Nuclear Information System (INIS)

    Cocquelin, B.

    2009-02-01

    Lasers currently used in atomic clocks or inertial sensors are suffering from a lack of power, narrow linewidth or compactness for future spatial missions. Optically pumped semiconductor lasers, which combine the approach of classical solid state lasers and the engineering of semiconductor laser, are considered here as a candidate to a metrological laser source dedicated to the manipulation of Cesium atoms in these instruments. These lasers have demonstrated high power laser emission in a circular single transverse mode, as well as single longitudinal mode emission, favoured by the semiconductor structure and the external cavity design. We study the definition and the characterization of a proper semiconductor structure for the cooling and the detection of Cesium atoms at 852 nm. A compact and robust prototype tunable on the Cesium D2 hyperfine structure is built. The laser frequency is locked to an atomic transition thanks to a saturated absorption setup. The emission spectral properties are investigated, with a particular attention to the laser frequency noise and the laser linewidth. Finally, we describe and model the thermal properties of the semiconductor structure, which enables the simulation of the laser power characteristic. The experimental parameters are optimised to obtain the maximum output power with our structure. Thanks to our analysis, we propose several ways to overcome these limitations, by reducing the structure heating. (authors)

  20. Design and Fabrication of a Single Cusp Magnetic Field Type Hydrogen ion Source

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Su Hun

    1996-02-15

    A single-cusp type hydrogen ion source has been designed and fabricated. In order to increase the efficiency of the plasma production, a single-cusp type magnet circuit and an electrostatic reflector were installed. The Poission Group Code was used to predict the distribution of magnetic field in the plasma chamber. In order to design the accel.-decel. extraction part for forming the ion beam with low emmitance and high current density, EGUN code was used. The results of calculation show that the configuration of plasma electrode strongly affects the beam quality and the deceleration electrode only functions the repression of the electron stream. When the plasma-accel potential is -20kV and an accel.-decel. potential is 1kV, the calculated extraction current, normalized emittance and perveance are 20.6mA, 1.28x 10{sup -7} m {center_dot} rad and 7.87 x 10{sup -9}A {center_dot} V{sup -3/2}, respectively. This study on the improvement of beam quality and the achievement of high ion beam current will contribute to the analysis of fusion plasma and the research on the surface physics.

  1. Design and Fabrication of a Single Cusp Magnetic Field Type Hydrogen ion Source

    International Nuclear Information System (INIS)

    Kim, Su Hun

    1996-02-01

    A single-cusp type hydrogen ion source has been designed and fabricated. In order to increase the efficiency of the plasma production, a single-cusp type magnet circuit and an electrostatic reflector were installed. The Poission Group Code was used to predict the distribution of magnetic field in the plasma chamber. In order to design the accel.-decel. extraction part for forming the ion beam with low emmitance and high current density, EGUN code was used. The results of calculation show that the configuration of plasma electrode strongly affects the beam quality and the deceleration electrode only functions the repression of the electron stream. When the plasma-accel potential is -20kV and an accel.-decel. potential is 1kV, the calculated extraction current, normalized emittance and perveance are 20.6mA, 1.28x 10 -7 m · rad and 7.87 x 10 -9 A · V -3/2 , respectively. This study on the improvement of beam quality and the achievement of high ion beam current will contribute to the analysis of fusion plasma and the research on the surface physics

  2. Measurement system of correlation functions of microwave single photon source in real time

    Science.gov (United States)

    Korenkov, A.; Dmitriev, A.; Astafiev, O.

    2018-02-01

    Several quantum setups, such as quantum key distribution networks[1] and quantum simulators (e.g. boson sampling), by their design rely on single photon sources (SPSs). These quantum setups were demonstrated to operate in optical frequency domain. However, following the steady advances in circuit quantum electrodynamics, a proposal has been made recently[2] to demonstrate boson sampling with microwave photons. This in turn requires the development of reliable microwave SPS. It's one of the most important characteristics are the first-order and the second-order correlation functions g1 and g2. The measurement technique of g1 and g2 is significantly different from that in the optical domain [3],[4] because of the current unavailability of microwave single-photon detectors. In particular, due to high levels of noise present in the system a substantial amount of statistics in needed to be acquired. This work presents a platform for measurement of g1 and g2 that processes the incoming data in real time, maximizing the efficiency of data acquisition. The use of field-programmable gate array (FPGA) electronics, common in similar experiments[3] but complex in programming, is avoided; instead, the calculations are performed on a standard desktop computer. The platform is used to perform the measurements of the first-order and the second-order correlation functions of the microwave SPS.

  3. Preliminary study of single contrast enhanced dual energy heart imaging using dual-source CT

    International Nuclear Information System (INIS)

    Peng Jin; Zhang Longjiang; Zhou Changsheng; Lu Guangming; Ma Yan; Gu Haifeng

    2009-01-01

    Objective: To evaluate the feasibility and preliminary applications of single contrast enhanced dual energy heart imaging using dual-source CT (DSCT). Methods: Thirty patients underwent dual energy heart imaging with DSCT, of which 6 cases underwent SPECT or DSA within one week. Two experienced radiologists assessed image quality of coronary arteries and iodine map of myocardium. and correlated the coronary artery stenosis with the perfusion distribution of iodine map. Results: l00% (300/300) segments reached diagnostic standards. The mean score of image for all patients was 4.68±0.57. Mural coronary artery was present in 10 segments in S cases, atherosclerotic plaques in 32 segments in 12 cases, of which 20 segments having ≥50% stenosis, 12 segments ≤50% stenosis; dual energy CT coronary angiography was consistent with the DSA in 3 patients. 37 segmental perfusion abnormalities on iodine map were found in 15 cases, including 28 coronary blood supply segment narrow segment and 9 no coronary stenosis (including three negative segments in SPECD. Conclusion: Single contrast enhanced dual energy heart imaging can provide good coronary artery and myocardium perfusion images in the patients with appropriate heart rate, which has a potential to be used in the clinic and further studies are needed. (authors)

  4. Measuring temporal summation in visual detection with a single-photon source.

    Science.gov (United States)

    Holmes, Rebecca; Victora, Michelle; Wang, Ranxiao Frances; Kwiat, Paul G

    2017-11-01

    Temporal summation is an important feature of the visual system which combines visual signals that arrive at different times. Previous research estimated complete summation to last for 100ms for stimuli judged "just detectable." We measured the full range of temporal summation for much weaker stimuli using a new paradigm and a novel light source, developed in the field of quantum optics for generating small numbers of photons with precise timing characteristics and reduced variance in photon number. Dark-adapted participants judged whether a light was presented to the left or right of their fixation in each trial. In Experiment 1, stimuli contained a stream of photons delivered at a constant rate while the duration was systematically varied. Accuracy should increase with duration as long as the later photons can be integrated with the proceeding ones into a single signal. The temporal integration window was estimated as the point that performance no longer improved, and was found to be 650ms on average. In Experiment 2, the duration of the visual stimuli was kept short (100ms or photons was varied to explore the efficiency of summation over the integration window compared to Experiment 1. There was some indication that temporal summation remains efficient over the integration window, although there is variation between individuals. The relatively long integration window measured in this study may be relevant to studies of the absolute visual threshold, i.e., tests of single-photon vision, where "single" photons should be separated by greater than the integration window to avoid summation. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination

    International Nuclear Information System (INIS)

    Panjikar, Santosh; Parthasarathy, Venkataraman; Lamzin, Victor S.; Weiss, Manfred S.; Tucker, Paul A.

    2009-01-01

    The combination of molecular replacement and single-wavelength anomalous diffraction improves the performance of automated structure determination with Auto-Rickshaw. A combination of molecular replacement and single-wavelength anomalous diffraction phasing has been incorporated into the automated structure-determination platform Auto-Rickshaw. The complete MRSAD procedure includes molecular replacement, model refinement, experimental phasing, phase improvement and automated model building. The improvement over the standard SAD or MR approaches is illustrated by ten test cases taken from the JCSG diffraction data-set database. Poor MR or SAD phases with phase errors larger than 70° can be improved using the described procedure and a large fraction of the model can be determined in a purely automatic manner from X-ray data extending to better than 2.6 Å resolution

  6. Single-event burnout hardening of planar power MOSFET with partially widened trench source

    Science.gov (United States)

    Lu, Jiang; Liu, Hainan; Cai, Xiaowu; Luo, Jiajun; Li, Bo; Li, Binhong; Wang, Lixin; Han, Zhengsheng

    2018-03-01

    We present a single-event burnout (SEB) hardened planar power MOSFET with partially widened trench sources by three-dimensional (3D) numerical simulation. The advantage of the proposed structure is that the work of the parasitic bipolar transistor inherited in the power MOSFET is suppressed effectively due to the elimination of the most sensitive region (P-well region below the N+ source). The simulation result shows that the proposed structure can enhance the SEB survivability significantly. The critical value of linear energy transfer (LET), which indicates the maximum deposited energy on the device without SEB behavior, increases from 0.06 to 0.7 pC/μm. The SEB threshold voltage increases to 120 V, which is 80% of the rated breakdown voltage. Meanwhile, the main parameter characteristics of the proposed structure remain similar with those of the conventional planar structure. Therefore, this structure offers a potential optimization path to planar power MOSFET with high SEB survivability for space and atmospheric applications. Project supported by the National Natural Science Foundation of China (Nos. 61404161, 61404068, 61404169).

  7. The influence of different single dietary sources on moult induction in laying hens.

    Science.gov (United States)

    Mansoori, Behzad; Modirsanei, Mehrdad; Farkhoy, Mohsen; Kiaei, Mohammad-Mehdi; Honarzad, Jila

    2007-11-01

    An investigation was carried out to assess the possibility of using single dietary sources as alternatives to feed deprivation for the induction of moult in commercial laying hens. The study involved six dietary groups of 29 laying hens: unmoulted, dried tomato pomace, alfalfa meal, rice bran, cumin seed meal and feed withdrawal. The birds received the above diets during the moulting period (11 days), and body weight loss and ovary weight regression were measured. Post-moult production parameters (number of eggs produced per hen per day, egg weight, shell weight, yolk colour and Haugh unit) were measured for 12 weeks. Results showed that all dietary sources were as effective as feed withdrawal in causing ovary weight regression in birds. Birds provided with tomato pomace or alfalfa showed lower weight losses than feed-deprived birds at the end of the moulting period. Hens moulted by tomato pomace or alfalfa exhibited post-moult levels of egg production over a 12 week period that were superior to those of hens moulted by feed withdrawal. Post-moult eggs laid by hens moulted by all dietary sources were of comparable quality to eggs from feed-deprived hens and superior to those from unmoulted hens. As fibrous feeds with low metabolisable energy and an appreciable amount of protein, dried tomato pomace and alfalfa meal may be fed to hens on an ad libitum basis for effective moult induction while reducing the stress of severe starvation and retaining comparable egg quality and production. Copyright © 2007 Society of Chemical Industry.

  8. Hollow-anode plasma source for molecular beam epitaxy of gallium nitride

    International Nuclear Information System (INIS)

    Anders, A.; Newman, N.; Rubin, M.; Dickinson, M.; Jones, E.; Phatak, P.; Gassmann, A.

    1996-01-01

    GaN films have been grown by molecular beam epitaxy (MBE) using a hollow-anode nitrogen plasma source. The source was developed to minimize defect formation as a result of contamination and ion damage. The hollow-anode discharge is a special form of glow discharge with very small anode area. A positive anode voltage drop of 30 endash 40 V and an increased anode sheath thickness leads to ignition of a relatively dense plasma in front of the anode hole. Driven by the pressure gradient, the open-quote open-quote anode close-quote close-quote plasma forms a bright plasma jet streaming with supersonic velocity towards the substrate. Films of GaN have been grown on (0001) SiC and (0001) Al 2 O 3 at 600 endash 800 degree C. The films were investigated by photoluminescence, cathodoluminescence, x-ray diffraction, Rutherford backscattering, and particle-induced x-ray emission. The film with the highest structural quality had a rocking curve width of 5 arcmin, the lowest reported value for MBE growth to date. copyright 1996 American Institute of Physics

  9. Molecular Ionization-Desorption Analysis Source (MIDAS) for Mass Spectrometry: Thin-Layer Chromatography

    Science.gov (United States)

    Winter, Gregory T.; Wilhide, Joshua A.; LaCourse, William R.

    2016-02-01

    Molecular ionization-desorption analysis source (MIDAS), which is a desorption atmospheric pressure chemical ionization (DAPCI) type source, for mass spectrometry has been developed as a multi-functional platform for the direct sampling of surfaces. In this article, its utility for the analysis of thin-layer chromatography (TLC) plates is highlighted. Amino acids, which are difficult to visualize without staining reagents or charring, were detected and identified directly from a TLC plate. To demonstrate the full potential of MIDAS, all active ingredients from an analgesic tablet, separated on a TLC plate, were successfully detected using both positive and negative ion modes. The identity of each of the compounds was confirmed from their mass spectra and compared against standards. Post separation, the chemical signal (blue permanent marker) as reference marks placed at the origin and solvent front were used to calculate retention factor (Rf) values from the resulting ion chromatogram. The quantitative capabilities of the device were exhibited by scanning caffeine spots on a TLC plate of increasing sample amount. A linear curve based on peak are, R2 = 0.994, was generated for seven spots ranging from 50 to 1000 ng of caffeine per spot.

  10. Single sources in the low-frequency gravitational wave sky: properties and time to detection by pulsar timing arrays

    Science.gov (United States)

    Kelley, Luke Zoltan; Blecha, Laura; Hernquist, Lars; Sesana, Alberto; Taylor, Stephen R.

    2018-06-01

    We calculate the properties, occurrence rates and detection prospects of individually resolvable `single sources' in the low-frequency gravitational wave (GW) spectrum. Our simulations use the population of galaxies and massive black hole binaries from the Illustris cosmological hydrodynamic simulations, coupled to comprehensive semi-analytic models of the binary merger process. Using mock pulsar timing arrays (PTA) with, for the first time, varying red-noise models, we calculate plausible detection prospects for GW single sources and the stochastic GW background (GWB). Contrary to previous results, we find that single sources are at least as detectable as the GW background. Using mock PTA, we find that these `foreground' sources (also `deterministic'/`continuous') are likely to be detected with ˜20 yr total observing baselines. Detection prospects, and indeed the overall properties of single sources, are only moderately sensitive to binary evolution parameters - namely eccentricity and environmental coupling, which can lead to differences of ˜5 yr in times to detection. Red noise has a stronger effect, roughly doubling the time to detection of the foreground between a white-noise only model (˜10-15 yr) and severe red noise (˜20-30 yr). The effect of red noise on the GWB is even stronger, suggesting that single source detections may be more robust. We find that typical signal-to-noise ratios for the foreground peak near f = 0.1 yr-1, and are much less sensitive to the continued addition of new pulsars to PTA.

  11. Single-Source Molecular Precursor for Synthesis of CdS Nanoparticles and Nanoflowers

    Science.gov (United States)

    Salavati-Niasari, Masoud; Sobhani, Azam

    2012-04-01

    CdS Semiconductor nanostructures were synthesized by using two different methods. Using triphenylphosphine (C18H15P) and oleylamine (C18H37N) as surfactant, CdS semiconductor nanocrystals with a size ranging from 30 to 90 nm can be synthesized by thermal decomposition of precursor [bis(thiosemicarbazide)cadmium(II)]. CdS nanoflowers were synthesized via hydrothermal decomposition of [bis(thiosemicarbazide) cadmium(II)] without any surfactant. X-ray diffraction (XRD) patterns confirm that the resulting samples were a pure hexagonal phase of CdS. The optical property test indicates that the absorption peak of the samples shifts towards short wavelength, and the blue shift phenomenon might be ascribed to the quantum effect.

  12. Source of single photons and interferometry with one photon. From the Young's slit experiment to the delayed choice

    International Nuclear Information System (INIS)

    Jacques, V.

    2007-11-01

    This manuscript is divided in two independent parts. In the first part, we study the wave-particle duality for a single photon emitted by the triggered photoluminescence of a single NV color center in a diamond nano-crystal. We first present the realization of a single-photon interference experiment using a Fresnel's bi-prism, in a scheme equivalent to the standard Young's double-slit textbook experiment. We then discuss the complementarity between interference and which-path information in this two-path interferometer. We finally describe the experimental realization of Wheeler's delayed-choice Gedanken experiment, which is a fascinating and subtle illustration of wave-particle duality. The second part of the manuscript is devoted to the efficiency improvement of single-photon sources. We first describe the implementation of a new single-photon source based on the photoluminescence of a single nickel-related defect center in diamond. The photophysical properties of such defect make this single-photon source well adapted to open-air quantum cryptography. We finally demonstrate an original method that leads to an improvement of single-molecule photo stability at room temperature. (author)

  13. Detailed Source-Specific Molecular Composition of Ambient Aerosol Organic Matter Using Ultrahigh Resolution Mass Spectrometry and 1H NMR

    Directory of Open Access Journals (Sweden)

    Amanda S. Willoughby

    2016-06-01

    Full Text Available Organic aerosols (OA are universally regarded as an important component of the atmosphere that have far-ranging impacts on climate forcing and human health. Many of these impacts are related to OA molecular characteristics. Despite the acknowledged importance, current uncertainties related to the source apportionment of molecular properties and environmental impacts make it difficult to confidently predict the net impacts of OA. Here we evaluate the specific molecular compounds as well as bulk structural properties of total suspended particulates in ambient OA collected from key emission sources (marine, biomass burning, and urban using ultrahigh resolution mass spectrometry (UHR-MS and proton nuclear magnetic resonance spectroscopy (1H NMR. UHR-MS and 1H NMR show that OA within each source is structurally diverse, and the molecular characteristics are described in detail. Principal component analysis (PCA revealed that (1 aromatic nitrogen species are distinguishing components for these biomass burning aerosols; (2 these urban aerosols are distinguished by having formulas with high O/C ratios and lesser aromatic and condensed aromatic formulas; and (3 these marine aerosols are distinguished by lipid-like compounds of likely marine biological origin. This study provides a unique qualitative approach for enhancing the chemical characterization of OA necessary for molecular source apportionment.

  14. Molecular detection of eukaryotes in a single human stool sample from Senegal.

    Directory of Open Access Journals (Sweden)

    Ibrahim Hamad

    Full Text Available BACKGROUND: Microbial eukaryotes represent an important component of the human gut microbiome, with different beneficial or harmful roles; some species are commensal or mutualistic, whereas others are opportunistic or parasitic. The diversity of eukaryotes inhabiting humans remains relatively unexplored because of either the low abundance of these organisms in human gut or because they have received limited attention from a whole-community perspective. METHODOLOGY/PRINCIPAL FINDING: In this study, a single fecal sample from a healthy African male was studied using both culture-dependent methods and extended molecular methods targeting the 18S rRNA and ITS sequences. Our results revealed that very few fungi, including Candida spp., Galactomyces spp., and Trichosporon asahii, could be isolated using culture-based methods. In contrast, a relatively a high number of eukaryotic species could be identified in this fecal sample when culture-independent methods based on various primer sets were used. A total of 27 species from one sample were found among the 977 analyzed clones. The clone libraries were dominated by fungi (716 clones/977, 73.3%, corresponding to 16 different species. In addition, 187 sequences out of 977 (19.2% corresponded to 9 different species of plants; 59 sequences (6% belonged to other micro-eukaryotes in the gut, including Entamoeba hartmanni and Blastocystis sp; and only 15 clones/977 (1.5% were related to human 18S rRNA sequences. CONCLUSION: Our results revealed a complex eukaryotic community in the volunteer's gut, with fungi being the most abundant species in the stool sample. Larger investigations are needed to assess the generality of these results and to understand their roles in human health and disease.

  15. Benchmark Evaluation of True Single Molecular Sequencing to Determine Cystic Fibrosis Airway Microbiome Diversity

    Directory of Open Access Journals (Sweden)

    Andrea Hahn

    2018-05-01

    Full Text Available Cystic fibrosis (CF is an autosomal recessive disease associated with recurrent lung infections that can lead to morbidity and mortality. The impact of antibiotics for treatment of acute pulmonary exacerbations on the CF airway microbiome remains unclear with prior studies giving conflicting results and being limited by their use of 16S ribosomal RNA sequencing. Our primary objective was to validate the use of true single molecular sequencing (tSMS and PathoScope in the analysis of the CF airway microbiome. Three control samples were created with differing amounts of Burkholderia cepacia, Pseudomonas aeruginosa, and Prevotella melaninogenica, three common bacteria found in cystic fibrosis lungs. Paired sputa were also obtained from three study participants with CF before and >6 days after initiation of antibiotics. Antibiotic resistant B. cepacia and P. aeruginosa were identified in concurrently obtained respiratory cultures. Direct sequencing was performed using tSMS, and filtered reads were aligned to reference genomes from NCBI using PathoScope and Kraken and unique clade-specific marker genes using MetaPhlAn. A total of 180–518 K of 6–12 million filtered reads were aligned for each sample. Detection of known pathogens in control samples was most successful using PathoScope. In the CF sputa, alpha diversity measures varied based on the alignment method used, but similar trends were found between pre- and post-antibiotic samples. PathoScope outperformed Kraken and MetaPhlAn in our validation study of artificial bacterial community controls and also has advantages over Kraken and MetaPhlAn of being able to determine bacterial strains and the presence of fungal organisms. PathoScope can be confidently used when evaluating metagenomic data to determine CF airway microbiome diversity.

  16. Single Molecular Level Probing of Structure and Dynamics of Papain Under Denaturation.

    Science.gov (United States)

    Sengupta, Bhaswati; Chaudhury, Apala; Das, Nilimesh; Sen, Pratik

    2017-01-01

    Papain is a cysteine protease enzyme present in papaya and known to help in digesting peptide. Thus the structure and function of the active site of papain is of interest. The objective of present study is to unveil the overall structural transformation and the local structural change around the active site of papain as a function of chemical denaturant. Papain has been tagged at Cys-25 with a thiol specific fluorescence probe N-(7- dimethylamino-4-methylcoumarin-3-yl) iodoacetamide (DACIA). Guanidine hydrochloride (GnHCl) has been used as the chemical denaturant. Steady state, time-resolved, and single molecular level fluorescence techniques was applied to map the change in the local environment. It is found that papain undergoes a two-step denaturation in the presence of GnHCl. Fluorescence correlation spectroscopic (FCS) data indicate that the size (hydrodynamic diameter) of native papain is ~36.8 Å, which steadily increases to ~53 Å in the presence of 6M GnHCl. FCS study also reveals that the conformational fluctuation time of papain is 6.3 µs in its native state, which decreased to 2.7 µs in the presence of 0.75 M GnHCl. Upon further increase in GnHCl concentration the conformational fluctuation time increase monotonically till 6 M GnHCl, where the time constant is measured as 14 µs. On the other hand, the measurement of ellipticity, hence the helical structure, by circular dichroism spectroscopy is found to be incapable to capture such structural transformation. It is concluded that in the presence of small amount of GnHCl the active site of papain takes up a more compact structure (although the overall size increases) than in the native state, which has been designated as the intermediate state. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  17. A Biofunctional Molecular Beacon for Detecting Single Base Mutations in Cancer Cells

    Directory of Open Access Journals (Sweden)

    Haiyan Dong

    2016-01-01

    Full Text Available The development of a convenient and sensitive biosensing system to detect specific DNA sequences is an important issue in the field of genetic disease therapy. As a classic DNA detection technique, molecular beacon (MB is often used in the biosensing system. However, it has intrinsic drawbacks, including high assay cost, complicated chemical modification, and operational complexity. In this study, we developed a simple and cost-effective label-free multifunctional MB (LMMB by integrating elements of polymerization primer, template, target recognition, and G-quadruplex into one entity to detect target DNA. The core technique was accomplished by introducing a G-hairpin that features fragments of both G-quadruplex and target DNA recognition in the G-hairpin stem. Hybridization between LMMB and target DNA triggered conformational change between the G-hairpin and the common C-hairpin, resulting in significant SYBR-green signal amplification. The hybridization continues to the isothermal circular strand-displacement polymerization and accumulation of the double-stranded fragments, causing the uninterrupted extension of the LMMB without a need of chemical modification and other assistant DNA sequences. The novel and programmable LMMB could detect target DNA with sensitivity at 250 pmol/l with a linear range from 2 to 100 nmol/l and the relative standard deviation of 7.98%. The LMMB could sense a single base mutation from the normal DNA, and polymerase chain reaction (PCR amplicons of the mutant-type cell line from the wild-type one. The total time required for preparation and assaying was only 25 minutes. Apparently, the LMMB shows great potential for detecting DNA and its mutations in biosamples, and therefore it opens up a new prospect for genetic disease therapy.

  18. Determination of sulfur in food by high resolution continuum source flame molecular absorption spectrometry

    Science.gov (United States)

    Zambrzycka, Elżbieta; Godlewska-Żyłkiewicz, Beata

    2014-11-01

    In the present work, a fast, simple and sensitive analytical method for determination of sulfur in food and beverages by high resolution continuum source flame molecular absorption spectrometry was developed. The determination was performed via molecular absorption of carbon monosulfide, CS. Different CS rotational lines (257.959 nm, 258.033 nm, 258.055 nm), number of pixels and types of standard solution of sulfur, namely: sulfuric acid, sodium sulfate, ammonium sulfate, sodium sulfite, sodium sulfide, DL-cysteine, and L-cystine, were studied in terms of sensitivity, repeatability of results as well as limit of detection and limit of quantification. The best results were obtained for measurements of absorption of the CS molecule at 258.055 nm at the wavelength range covering 3 pixels and DL-cysteine in 0.2 mol L- 1 HNO3 solution as a calibration standard. Under optimized conditions the limit of detection and the limit of quantification achieved for sulfur were 10.9 mg L- 1 and 36.4 mg L- 1, respectively. The repeatability of the results expressed as relative standard deviation was typically beverage samples with added known amount of sulfur standard. The recovery of analyte from such samples was in the range of 93-105% with the repeatability in the range of 4.1-5.0%. The developed method was applied for the determination of sulfur in milk (194 ± 10 mg kg- 1), egg white (2188 ± 29 mg kg- 1), mineral water (31.0 ± 0.9 mg L- 1), white wine (260 ± 4 mg L- 1) and red wine (82 ± 2 mg L- 1), as well as in sample rich in ions, such as bitter mineral water (6900 ± 100 mg L- 1).

  19. Fast-grown CdS quantum dots: Single-source precursor approach vs microwave route

    Energy Technology Data Exchange (ETDEWEB)

    Fregnaux, Mathieu [Laboratoire de Chimie et Physique: Approche Multi-échelles des Milieux Complexes, Institut Jean Barriol, Université de Lorraine, 1 Boulevard Arago, 57070 Metz (France); Dalmasso, Stéphane, E-mail: stephane.dalmasso@univ-lorraine.fr [Laboratoire de Chimie et Physique: Approche Multi-échelles des Milieux Complexes, Institut Jean Barriol, Université de Lorraine, 1 Boulevard Arago, 57070 Metz (France); Durand, Pierrick [Laboratoire de Cristallographie, Résonance Magnétique et Modélisations, Institut Jean Barriol, Université de Lorraine, UMR CNRS 7036, Faculté des Sciences, BP 70239, 54506 Vandoeuvre lès Nancy (France); Zhang, Yudong [Laboratoire d' Etude des Microstructures et de Mécanique des Matériaux, Université de Lorraine, UMR CNRS 7239, Ile du Saulcy, 57045 Metz cedex 01 (France); Gaumet, Jean-Jacques; Laurenti, Jean-Pierre [Laboratoire de Chimie et Physique: Approche Multi-échelles des Milieux Complexes, Institut Jean Barriol, Université de Lorraine, 1 Boulevard Arago, 57070 Metz (France)

    2013-10-01

    A cross-disciplinary protocol of characterization by joint techniques enables one to closely compare chemical and physical properties of CdS quantum dots (QDs) grown by single source precursor methodology (SSPM) or by microwave synthetic route (MWSR). The results are discussed in relation with the synthesis protocols. The QD average sizes, reproducible as a function of the temperatures involved in the growth processes, range complementarily in 2.8–4.5 nm and 4.5–5.2 nm for SSPM and MWSR, respectively. Hexagonal and cubic structures after X-ray diffraction on SSPM and MWSR grown CdS QDs, respectively, are tentatively correlated to a better crystalline quality of the latter with respect to the further ones, suggested by (i) a remarkable stability of the MWSR grown QDs after exposure to air during several days and (ii) no evidence of their fragmentation during mass spectrometry (MS) analyses, after a fair agreement between size dispersities obtained by transmission electron microscopy (TEM) and MS, in contrast with the discrepancy found for the SSPM grown QDs. Correlatively, a better optical quality is suggested for the MWSR grown QDs by the resolution of n > 1 excitonic transitions in their absorption spectra. The QD average sizes obtained by TEM and deduced from MS are in overall agreement. This agreement is improved for the MWSR grown QDs, taking into account a prolate shape of the QDs also observed in the TEM images. For both series of samples, the excitonic responses vs the average sizes are consistent with the commonly admitted empirical energy-size correspondence. A low energy PL band is observed in the case of the SSPM grown QDs. Its decrease in intensity with QD size increase suggests a surface origin tentatively attributed to S vacancies. In the case of the MWSR grown QDs, the absence of this PL is tentatively correlated to an absence of S vacancies and therefore to the stable behavior observed when the QDs are exposed to air. - Highlights: • Single

  20. Quantitative Molecular Imaging with a Single Gd-Based Contrast Agent Reveals Specific Tumor Binding and Retention in Vivo.

    Science.gov (United States)

    Johansen, Mette L; Gao, Ying; Hutnick, Melanie A; Craig, Sonya E L; Pokorski, Jonathan K; Flask, Chris A; Brady-Kalnay, Susann M

    2017-06-06

    Magnetic resonance imaging (MRI) has become an indispensable tool in the diagnosis and treatment of many diseases, especially cancer. However, the poor sensitivity of MRI relative to other imaging modalities, such as PET, has hindered the development and clinical use of molecular MRI contrast agents that could provide vital diagnostic information by specifically locating a molecular target altered in the disease process. This work describes the specific and sustained in vivo binding and retention of a protein tyrosine phosphatase mu (PTPμ)-targeted, molecular magnetic resonance (MR) contrast agent with a single gadolinium (Gd) chelate using a quantitative MRI T 1 mapping technique in glioma xenografts. Quantitative T 1 mapping is an imaging method used to measure the longitudinal relaxation time, the T 1 relaxation time, of protons in a magnetic field after excitation by a radiofrequency pulse. T 1 relaxation times can in turn be used to calculate the concentration of a gadolinium-containing contrast agent in a region of interest, thereby allowing the retention or clearance of an agent to be quantified. In this context, retention is a measure of molecular contrast agent binding. Using conventional peptide chemistry, a PTPμ-targeted peptide was linked to a chelator that had been conjugated to a lysine residue. Following complexation with Gd, this PTPμ-targeted molecular contrast agent containing a single Gd ion showed significant tumor enhancement and a sustained increase in Gd concentration in both heterotopic and orthotopic tumors using dynamic quantitative MRI. This single Gd-containing PTPμ agent was more effective than our previous version with three Gd ions. Differences between nonspecific and specific agents, due to specific tumor binding, can be determined within the first 30 min after agent administration by examining clearance rates. This more facile chemistry, when combined with quantitative MR techniques, allows for widespread adoption by academic

  1. Molecular dynamics simulation of chemical vapor deposition of amorphous carbon. Dependence on H/C ratio of source gas

    International Nuclear Information System (INIS)

    Ito, Atsushi M.; Takayama, Arimichi; Nakamura, Hiroaki; Saito, Seiki; Ohno, Noriyasu; Kajita, Shin

    2011-01-01

    By molecular dynamics simulation, the chemical vapor deposition of amorphous carbon onto graphite and diamond surfaces was studied. In particular, we investigated the effect of source H/C ratio, which is the ratio of the number of hydrogen atoms to the number of carbon atoms in a source gas, on the deposition process. In the present simulation, the following two source gas conditions were tested: one was that the source gas was injected as isolated carbon and hydrogen atoms, and the other was that the source gas was injected as hydrocarbon molecules. Under the former condition, we found that as the source H/C ratio increases, the deposition rate of carbon atoms decreases exponentially. This exponential decrease in the deposition rate with increasing source H/C ratio agrees with experimental data. However, under the latter molecular source condition, the deposition rate did not decrease exponentially because of a chemical reaction peculiar to the type of hydrocarbon in the source gas. (author)

  2. Dynamics of the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface: Molecular dynamics simulations

    International Nuclear Information System (INIS)

    Barros de Oliveira, Alan; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, David

    2011-01-01

    We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of this variability. We find that during compression, the behavior of the contact force displacement curves is reproducible, while during contact separation, the behavior is highly variable. Examination of the contact surfaces suggests that two separation mechanisms are in operation and give rise to this variability. One mechanism corresponds to the formation of a bridge between the two surfaces that plastically stretches as the surfaces are drawn apart and eventually separate in shear. This leads to a morphology after separation in which there are opposing asperities on the two surfaces. This plastic separation/bridge formation mechanism leads to a large work of separation. The other mechanism is a more brittle-like mode in which a crack propagates across the base of the asperity (slightly below the asperity/substrate junction) leading to most of the asperity on one surface or the other after separation and a slight depression facing this asperity on the opposing surface. This failure mode corresponds to a smaller work of separation. This failure mode corresponds to a smaller work of separation. Furthermore, contacts made from materials that exhibit predominantly brittle-like behavior will tend to require lower work of separation than those made from ductile-like contact materials.

  3. Determination of sulfur in food by high resolution continuum source flame molecular absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Zambrzycka, Elżbieta; Godlewska-Żyłkiewicz, Beata, E-mail: bgodlew@uwb.edu.pl

    2014-11-01

    In the present work, a fast, simple and sensitive analytical method for determination of sulfur in food and beverages by high resolution continuum source flame molecular absorption spectrometry was developed. The determination was performed via molecular absorption of carbon monosulfide, CS. Different CS rotational lines (257.959 nm, 258.033 nm, 258.055 nm), number of pixels and types of standard solution of sulfur, namely: sulfuric acid, sodium sulfate, ammonium sulfate, sodium sulfite, sodium sulfide, DL-cysteine, and L-cystine, were studied in terms of sensitivity, repeatability of results as well as limit of detection and limit of quantification. The best results were obtained for measurements of absorption of the CS molecule at 258.055 nm at the wavelength range covering 3 pixels and DL-cysteine in 0.2 mol L{sup −1} HNO{sub 3} solution as a calibration standard. Under optimized conditions the limit of detection and the limit of quantification achieved for sulfur were 10.9 mg L{sup −1} and 36.4 mg L{sup −1}, respectively. The repeatability of the results expressed as relative standard deviation was typically < 5%. The accuracy of the method was tested by analysis of digested biological certified reference materials (soya bean flour, corn flour and herbs) and recovery experiment for beverage samples with added known amount of sulfur standard. The recovery of analyte from such samples was in the range of 93–105% with the repeatability in the range of 4.1–5.0%. The developed method was applied for the determination of sulfur in milk (194 ± 10 mg kg{sup −1}), egg white (2188 ± 29 mg kg{sup −1}), mineral water (31.0 ± 0.9 mg L{sup −1}), white wine (260 ± 4 mg L{sup −1}) and red wine (82 ± 2 mg L{sup −1}), as well as in sample rich in ions, such as bitter mineral water (6900 ± 100 mg L{sup −1}). - Highlights: • HR-CS FMAS technique was used for sulfur measurement via molecular absorption of carbon monosulfide, CS. • Organic DL

  4. Source-specific sewage pollution detection in urban river waters using pharmaceuticals and personal care products as molecular indicators.

    Science.gov (United States)

    Kiguchi, Osamu; Sato, Go; Kobayashi, Takashi

    2016-11-01

    Source-specific elucidation of domestic sewage pollution caused by various effluent sources in an urban river water, as conducted for this study, demands knowledge of the relation between concentrations of pharmaceuticals and personal care products (PPCPs) as molecular indicators (caffeine, carbamazepine, triclosan) and water quality concentrations of total nitrogen (T-N) and total phosphorous (T-P). River water and wastewater samples from the Asahikawa River Basin in northern Japan were analyzed using derivatization-gas chromatography/mass spectrometry. Caffeine, used as an indicator of domestic sewage in the Asahikawa River Basin, was more ubiquitous than either carbamazepine or triclosan (92-100 %). Its concentration was higher than any target compound used to assess the basin: caffeine, caffeine concentrations detected in wastewater effluents and the strongly positive mutual linear correlation between caffeine and T-N or T-P (R 2  > 0.759) reflect the contribution of septic tank system effluents to the lower Asahikawa River Basin. Results of relative molecular indicators in combination with different molecular indicators (caffeine/carbamazepine and triclosan/carbamazepine) and cluster analysis better reflect the contribution of sewage than results obtained using concentrations of respective molecular indicators and cluster analysis. Relative molecular indicators used with water quality parameters (e.g., caffeine/T-N ratio) in this study provide results more clearly, relatively, and quantitatively than results obtained using molecular indicators alone. Moreover, the caffeine/T-N ratio reflects variations of caffeine flux from effluent sources. These results suggest strongly relative molecular indicators are also useful indicators, reflecting differences in spatial contributions of domestic sources for PPCPs in urban areas.

  5. Adrenal incidentaloma triage with single source (fast kVp switch) dual energy CT

    Science.gov (United States)

    Glazer, Daniel I; Keshavarzi, Nahid R; Parker, Robert A; Kaza, Ravi K; Platt, Joel F; Francis, Isaac R

    2015-01-01

    Purpose To evaluate single source dual energy CT (DECT) for distinguishing benign and indeterminate adrenal nodules, with attention to effects of phase of intravenous contrast enhancement. Materials and methods An IRB-approved, HIPAA-compliant retrospective review revealed 273 contrast-enhanced abdominal DECTs from November 2009–March 2012. 50 adrenal nodules ≥ 0.8 cm were identified in 41 patients: 22 female, 19 male, average age 66 (range 36–88 years). CT post-processing and measurements were independently performed by two radiologists (R1 and R2) for each nodule: (1) HU on true non-contrast images; (2) post-contrast HU on monochromatic spectral images at 40, 75, and 140 keV; (3) post-contrast material density (mg/cc) on virtual non-contrast (VNC) images. Nodules were separated into benign (VNC images, benign nodules had significantly lower material density (R1: 992.4 mg/cc ± 9.9; R2: 992.7 mg/cc ±9.6) than indeterminate nodules (R1: 1001.1mg/cc ±20.5 (p .038); R2: 1007.6 HU ±13.4 (p <.0001). Conclusion DECT tools can mathematically subtract iodine or minimize its effects in high energy reconstructions, approximating non-contrast imaging and potentially reducing the need for additional studies to triage adrenal nodules detected on post-contrast DECT exams. PMID:25055267

  6. Resource allocation for two source-destination pairs sharing a single relay with a buffer

    KAUST Repository

    Zafar, Ammar

    2014-05-01

    In this paper, we obtain the optimal resource allocation scheme in order to maximize the achievable rate region in a dual-hop system that consists of two independent source-destination pairs sharing a single half-duplex relay. The relay decodes the received information and possesses buffers to enable storing the information temporarily before forwarding it to the respective destination. We consider both non-orthogonal transmission with successive interference cancellation at the receivers and orthogonal transmission. Also, we consider Gaussian block-fading channels and we assume that the channel state information is known and that no delay constraints are required. We show that, with the aid of buffering at the relay, joint user-and-hop scheduling is optimal and can enhance the achievable rate significantly. This is due to the joint exploitation of multiuser diversity and multihop diversity in the system. We provide closed-form expressions to characterize the average achievable rates in a generic form as functions of the statistical model of the channels. Furthermore, we consider sub-optimal schemes that exploit the diversity in the system partially and we provide numerical results to compare the different schemes and demonstrate the gains of the optimal one. © 2014 IEEE.

  7. Evolution of the zinc compound nanostructures in zinc acetate single-source solution

    International Nuclear Information System (INIS)

    Wang Ying; Li Yinhua; Zhou Zhengzhi; Zu Xihong; Deng Yulin

    2011-01-01

    A series of nanostructured zinc compounds with different nanostructures such as nanobelts, flake-like, flower-like, and twinning crystals was synthesized using zinc acetate (Zn(Ac) 2 ) as a single-source. The evolution of the zinc compounds from layered basic zinc acetate (LBZA) to bilayered basic zinc acetate (BLBZA) and twinned ZnO nano/microcrystal was studied. The low-angle X-ray diffraction spectra indicate the layered spacing is 1.34 and 2.1 nm for LBZA and BLBZA, respectively. The Fourier transform infrared (FTIR) spectra results confirmed that the bonding force of acetate anion with zinc cations decreases with the phase transformation from Zn(Ac) 2 to BLBZA, and finally to LBZA. The OH − groups gradually replaced the acetate groups coordinated to the matrix zinc cation, and the acetate groups were released completely. Finally, the Zn(OH) 2 and ZnO were formed at high temperature. The conversion process from Zn(Ac) 2 to ZnO with release of acetate anions can be described as Zn(Ac) 2 → BLBZA → LBZA → Zn(OH) 2 → ZnO.

  8. A comprehensive experiment for molecular biology: Determination of single nucleotide polymorphism in human REV3 gene using PCR-RFLP.

    Science.gov (United States)

    Zhang, Xu; Shao, Meng; Gao, Lu; Zhao, Yuanyuan; Sun, Zixuan; Zhou, Liping; Yan, Yongmin; Shao, Qixiang; Xu, Wenrong; Qian, Hui

    2017-07-08

    Laboratory exercise is helpful for medical students to understand the basic principles of molecular biology and to learn about the practical applications of molecular biology. We have designed a lab course on molecular biology about the determination of single nucleotide polymorphism (SNP) in human REV3 gene, the product of which is a subunit of DNA polymerase ζ and SNPs in this gene are associated with altered susceptibility to cancer. This newly designed experiment is composed of three parts, including genomic DNA extraction, gene amplification by PCR, and genotyping by RFLP. By combining these activities, the students are not only able to learn a series of biotechniques in molecular biology, but also acquire the ability to link the learned knowledge with practical applications. This comprehensive experiment will help the medical students improve the conceptual understanding of SNP and the technical understanding of SNP detection. © 2017 by The International Union of Biochemistry and Molecular Biology, 45(4):299-304, 2017. © 2017 The International Union of Biochemistry and Molecular Biology.

  9. Modeling of Single Event Transients With Dual Double-Exponential Current Sources: Implications for Logic Cell Characterization

    Science.gov (United States)

    Black, Dolores A.; Robinson, William H.; Wilcox, Ian Z.; Limbrick, Daniel B.; Black, Jeffrey D.

    2015-08-01

    Single event effects (SEE) are a reliability concern for modern microelectronics. Bit corruptions can be caused by single event upsets (SEUs) in the storage cells or by sampling single event transients (SETs) from a logic path. An accurate prediction of soft error susceptibility from SETs requires good models to convert collected charge into compact descriptions of the current injection process. This paper describes a simple, yet effective, method to model the current waveform resulting from a charge collection event for SET circuit simulations. The model uses two double-exponential current sources in parallel, and the results illustrate why a conventional model based on one double-exponential source can be incomplete. A small set of logic cells with varying input conditions, drive strength, and output loading are simulated to extract the parameters for the dual double-exponential current sources. The parameters are based upon both the node capacitance and the restoring current (i.e., drive strength) of the logic cell.

  10. Molecular biomarkers for sources of organic matter in lacustrine sediments in a subtropical lake in China.

    Science.gov (United States)

    Wang, Yan-Hua; Yang, Hao; Chen, Xia; Zhang, Ji-Xiang; Ou, Jie; Xie, Biao; Huang, Chang-Chun

    2013-05-01

    N-alkanes distributions and stable isotopic compositions (δ(13)C and δ(15)N) in the lacustrine sediments of Shijiu lake were measured to assess whether biological source information was recorded in the molecular biomarker. Results showed regular unimodal n-alkanes distribution in range of C16-C33 with strong predominance of odd-numbered n-alkanes, maximizing at C29. The δ(15)N for SON were uniformly low, ranging from -6.7‰ to 3.8‰ and C/N ratios ranged from 6.6 to 10.0, suggesting that most of organic matter was influenced by terrestrial characteristics of the watershed. The δ(13)C for C27 to C31n-alkanes and for SOC varied from -32.9‰ to -26.6‰ and -23.4‰ to -21.6‰, respectively, falling within the range of corresponding n-alkanes in leaves mainly from C3 land plants. The values of C/N, CPI, OEP, ACL and C27/C31 exhibit similar temporal changes with the primary production, showing enhanced eutrophication resulted from increased anthropogenic activities in Shijiu lake from 1852 to 2010. Copyright © 2013 Elsevier Ltd. All rights reserved.

  11. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.

    Science.gov (United States)

    Pronk, Sander; Páll, Szilárd; Schulz, Roland; Larsson, Per; Bjelkmar, Pär; Apostolov, Rossen; Shirts, Michael R; Smith, Jeremy C; Kasson, Peter M; van der Spoel, David; Hess, Berk; Lindahl, Erik

    2013-04-01

    Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changing this by enabling large-scale automated simulation of, for instance, many conformers or mutants of biomolecules with or without a range of ligands. At the same time, advances in performance and scaling now make it possible to model complex biomolecular interaction and function in a manner directly testable by experiment. These applications share a need for fast and efficient software that can be deployed on massive scale in clusters, web servers, distributed computing or cloud resources. Here, we present a range of new simulation algorithms and features developed during the past 4 years, leading up to the GROMACS 4.5 software package. The software now automatically handles wide classes of biomolecules, such as proteins, nucleic acids and lipids, and comes with all commonly used force fields for these molecules built-in. GROMACS supports several implicit solvent models, as well as new free-energy algorithms, and the software now uses multithreading for efficient parallelization even on low-end systems, including windows-based workstations. Together with hand-tuned assembly kernels and state-of-the-art parallelization, this provides extremely high performance and cost efficiency for high-throughput as well as massively parallel simulations. GROMACS is an open source and free software available from http://www.gromacs.org. Supplementary data are available at Bioinformatics online.

  12. The long tail of molecular alterations in non-small cell lung cancer: a single-institution experience of next-generation sequencing in clinical molecular diagnostics.

    Science.gov (United States)

    Fumagalli, Caterina; Vacirca, Davide; Rappa, Alessandra; Passaro, Antonio; Guarize, Juliana; Rafaniello Raviele, Paola; de Marinis, Filippo; Spaggiari, Lorenzo; Casadio, Chiara; Viale, Giuseppe; Barberis, Massimo; Guerini-Rocco, Elena

    2018-03-13

    Molecular profiling of advanced non-small cell lung cancers (NSCLC) is essential to identify patients who may benefit from targeted treatments. In the last years, the number of potentially actionable molecular alterations has rapidly increased. Next-generation sequencing allows for the analysis of multiple genes simultaneously. To evaluate the feasibility and the throughput of next-generation sequencing in clinical molecular diagnostics of advanced NSCLC. A single-institution cohort of 535 non-squamous NSCLC was profiled using a next-generation sequencing panel targeting 22 actionable and cancer-related genes. 441 non-squamous NSCLC (82.4%) harboured at least one gene alteration, including 340 cases (63.6%) with clinically relevant molecular aberrations. Mutations have been detected in all but one gene ( FGFR1 ) of the panel. Recurrent alterations were observed in KRAS , TP53 , EGFR , STK11 and MET genes, whereas the remaining genes were mutated in <5% of the cases. Concurrent mutations were detected in 183 tumours (34.2%), mostly impairing KRAS or EGFR in association with TP53 alterations. The study highlights the feasibility of targeted next-generation sequencing in clinical setting. The majority of NSCLC harboured mutations in clinically relevant genes, thus identifying patients who might benefit from different targeted therapies. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  13. Space Vector Pulse Width Modulation Strategy for Single-Phase Three-Level CIC T-source Inverter

    DEFF Research Database (Denmark)

    Shults, Tatiana E.; Husev, Oleksandr O.; Blaabjerg, Frede

    2016-01-01

    This paper presents a novel space vector pulse-width modulation strategy for a single-phase three-level buck-boost inverter based on an impedance-source network. The case study system is based on T-source inverter with continuous input current. To demonstrate the improved performance of the inver......This paper presents a novel space vector pulse-width modulation strategy for a single-phase three-level buck-boost inverter based on an impedance-source network. The case study system is based on T-source inverter with continuous input current. To demonstrate the improved performance...... of the inverter, the strategy was compared the traditional pulse-width modulation. It is shown that the approach proposed has fewer switching states and does not suffer from neutral point misbalance....

  14. Spatially Extended and High-Velocity Dispersion Molecular Component in Spiral Galaxies: Single-Dish Versus Interferometric Observations

    Science.gov (United States)

    Caldú-Primo, Anahi; Schruba, Andreas; Walter, Fabian; Leroy, Adam; Bolatto, Alberto D.; Vogel, Stuart

    2015-02-01

    Recent studies of the molecular medium in nearby galaxies have provided mounting evidence that the molecular gas can exist in two phases: one that is clumpy and organized as molecular clouds and another one that is more diffuse. This last component has a higher velocity dispersion than the clumpy one. In order to investigate these two molecular components further, we compare the fluxes and line widths of CO in NGC 4736 and NGC 5055, two nearby spiral galaxies for which high-quality interferometric as well as single-dish data sets are available. Our analysis leads to two main results: (1) employing three different methods, we determine the flux recovery of the interferometer as compared to the single-dish to be within a range of 35%-74% for NGC 4736 and 81%-92% for NGC 5055, and (2) when focusing on high (S/N ≥ 5) lines of sight (LOSs), the single-dish line widths are larger by ˜(40 ± 20)% than the ones derived from interferometric data, which is in agreement with stacking all LOSs. These results point to a molecular gas component that is distributed over spatial scales larger than 30″(˜1 kpc), and is therefore filtered out by the interferometer. The available observations do not allow us to distinguish between a truly diffuse gas morphology and a uniform distribution of small clouds that are separated by less than the synthesized beam size (˜3″ or ˜100 pc), as they would both be invisible for the interferometer. This high velocity dispersion component has a dispersion similar to what is found in the atomic medium, as traced through observations of the H i line.

  15. Spatially extended and high-velocity dispersion molecular component in spiral galaxies: Single-dish versus interferometric observations

    International Nuclear Information System (INIS)

    Caldú-Primo, Anahi; Walter, Fabian; Schruba, Andreas; Leroy, Adam; Bolatto, Alberto D.; Vogel, Stuart

    2015-01-01

    Recent studies of the molecular medium in nearby galaxies have provided mounting evidence that the molecular gas can exist in two phases: one that is clumpy and organized as molecular clouds and another one that is more diffuse. This last component has a higher velocity dispersion than the clumpy one. In order to investigate these two molecular components further, we compare the fluxes and line widths of CO in NGC 4736 and NGC 5055, two nearby spiral galaxies for which high-quality interferometric as well as single-dish data sets are available. Our analysis leads to two main results: (1) employing three different methods, we determine the flux recovery of the interferometer as compared to the single-dish to be within a range of 35%–74% for NGC 4736 and 81%–92% for NGC 5055, and (2) when focusing on high (S/N ≥ 5) lines of sight (LOSs), the single-dish line widths are larger by ∼(40 ± 20)% than the ones derived from interferometric data, which is in agreement with stacking all LOSs. These results point to a molecular gas component that is distributed over spatial scales larger than 30″(∼1 kpc), and is therefore filtered out by the interferometer. The available observations do not allow us to distinguish between a truly diffuse gas morphology and a uniform distribution of small clouds that are separated by less than the synthesized beam size (∼3″ or ∼100 pc), as they would both be invisible for the interferometer. This high velocity dispersion component has a dispersion similar to what is found in the atomic medium, as traced through observations of the H i line.

  16. Size-dependent single electron transfer and semi-metal-to-insulator transitions in molecular metal oxide electronics.

    Science.gov (United States)

    Balliou, Angelika; Bouroushian, Mirtat; Douvas, Antonios M; Skoulatakis, George; Kennou, Stella; Glezos, Nikos

    2018-07-06

    All-inorganic self-arranged molecular transition metal oxide hyperstructures based on polyoxometalate molecules (POMs) are fabricated and tested as electronically tunable components in emerging electronic devices. POM hyperstructures reveal great potential as charging nodes of tunable charging level for molecular memories and as enhancers of interfacial electron/hole injection for photovoltaic stacks. STM, UPS, UV-vis spectroscopy and AFM measurements show that this functionality stems from the films' ability to structurally tune their HOMO-LUMO levels and electron localization length at room temperature. By adapting POM nanocluster size in solution, self-doping and current modulation of four orders of magnitude is monitored on a single nanocluster on SiO 2 at voltages as low as 3 Volt. Structurally driven insulator-to-semi-metal transitions and size-dependent current regulation through single electron tunneling are demonstrated and examined with respect to the stereochemical and electronic structure of the molecular entities. This extends the value of self-assembly as a tool for correlation length and electronic properties tuning and demonstrate POM hyperstructures' plausibility for on-chip molecular electronics operative at room temperature.

  17. Size-dependent single electron transfer and semi-metal-to-insulator transitions in molecular metal oxide electronics

    Science.gov (United States)

    Balliou, Angelika; Bouroushian, Mirtat; Douvas, Antonios M.; Skoulatakis, George; Kennou, Stella; Glezos, Nikos

    2018-07-01

    All-inorganic self-arranged molecular transition metal oxide hyperstructures based on polyoxometalate molecules (POMs) are fabricated and tested as electronically tunable components in emerging electronic devices. POM hyperstructures reveal great potential as charging nodes of tunable charging level for molecular memories and as enhancers of interfacial electron/hole injection for photovoltaic stacks. STM, UPS, UV–vis spectroscopy and AFM measurements show that this functionality stems from the films’ ability to structurally tune their HOMO–LUMO levels and electron localization length at room temperature. By adapting POM nanocluster size in solution, self-doping and current modulation of four orders of magnitude is monitored on a single nanocluster on SiO2 at voltages as low as 3 Volt. Structurally driven insulator-to-semi-metal transitions and size-dependent current regulation through single electron tunneling are demonstrated and examined with respect to the stereochemical and electronic structure of the molecular entities. This extends the value of self-assembly as a tool for correlation length and electronic properties tuning and demonstrate POM hyperstructures’ plausibility for on-chip molecular electronics operative at room temperature.

  18. Electronic properties of single-molecule junction: Effect of the molecular distortion

    International Nuclear Information System (INIS)

    Gao, W.; Zhao, M.; Jiang, Q.

    2009-01-01

    For a model system consisting of a benzenedithio (BDT) molecule sandwiched between two Au plates, the electronic properties as a function of different BDT geometry are investigated using density functional theory. The distorted BDT structures are got through stretching the electrode distance. The corresponding electronic properties, including the spatial distribution of the frontier orbits, the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital levels and density of states at the Fermi energy are determined. It reveals that the molecular distortion essentially determines electronic structures. The result should be beneficial to understand the stress-dependent or structure-dependent transport mechanism of electrons of the BDT junction.

  19. Single window for issuing licenses for export and import of ionizing radiation sources and transit of radioactive sources

    International Nuclear Information System (INIS)

    Sandev, T.; Stamenov, R.; Misevska, A.; Georgievska-Dimitrevski, B.; Angelovski, G.

    2009-01-01

    In this paper we present the electronic system for application and issuing licenses for export, import and transit of goods (EXIM), particularly for ionizing radiation sources, in the Republic of Macedonia. This system is a modern and helpful tool for simple issuing licenses, for establishing a unique database and it represents a harmonized system for exchanging information between the governmental, public and private legal persons in the Republic of Macedonia. (author)

  20. Single asperity nanocontacts: Comparison between molecular dynamics simulations and continuum mechanics models

    NARCIS (Netherlands)

    Solhjoo, Soheil; Vakis, Antonis I.

    Abstract Using classical molecular dynamics, atomic scale simulations of normal contact between a nominally flat substrate and different atomistic and non-atomistic spherical particles were performed to investigate the applicability of classical contact theories at the nanoscale, and further

  1. Search for near-infrared counterparts of IRAS embedded sources in the M17 SW giant molecular cloud

    International Nuclear Information System (INIS)

    Elmegreen, D.M.; Phillips, J.; Beck, K.; Thomas, H.; Howard, J.

    1988-01-01

    Wide-field near-infrared and blue band plates of the region containing the M17 giant molecular cloud complex have been blinked to locate bright near-infrared stars that may be embedded in the M17 SW giant molecular cloud. Twenty such stars coincided with the positions of IRAS point sources that appeared embedded based on color-color diagrams. Some of these stars may be the sources of the infrared luminosities. Of the 20 stars, seven were too faint to appear on the B band plate. The optical magnitudes and colors determined from the plate image diameters were measured for the other 13 coincident stars; they are most likely upper main-sequence or pre-main-sequence stars with extinctions of 7 mag. The IRAS luminosity-temperature diagram indicates that the embedded sources in M17 are more massive than those in the Orion cloud. 35 references

  2. Room-temperature single-photon sources with definite circular and linear polarizations based on single-emitter fluorescence in liquid crystal hosts

    International Nuclear Information System (INIS)

    Winkler, Justin M; Lukishova, Svetlana G; Bissell, Luke J

    2013-01-01

    Definite circular and linear polarizations of room-temperature single-photon sources, which can serve as polarization bases for quantum key distribution, are produced by doping planar-aligned liquid crystal hosts with single fluorescence emitters. Chiral 1-D photonic bandgap microcavities for a single handedness of circularly polarized light were prepared from both monomeric and oligomeric cholesteric liquid crystals. Fluorescent emitters, such as nanocrystal quantum dots, nitrogen vacancy color centers in nanodiamonds, and rare-earth ions in nanocrystals, were doped into these microcavity structures and used to produce circularly polarized fluorescence of definite handedness. Additionally, we observed circularly polarized resonances in the spectrum of nanocrystal quantum dot fluorescence at the edge of the cholesteric microcavity's photonic stopband. For this polarization we obtained a ∼4.9 enhancement of intensity compared to the polarization of the opposite handedness that propagates without photonic bandgap microcavity effects. Such a resonance is indicative of coupling of quantum dot fluorescence to the cholesteric microcavity mode. We have also used planar-aligned nematic liquid crystal hosts to align DiI dye molecules doped into the host, thereby providing a single-photon source of linear polarization of definite direction. Antibunching is demonstrated for fluorescence of nanocrystal quantum dots, nitrogen vacancy color centers, and dye molecules in these liquid crystal structures.

  3. Molecular epidemiology of nontuberculous mycobacteria isolates from clinical and environmental sources of a metropolitan city.

    Science.gov (United States)

    Velayati, Ali Akbar; Farnia, Parissa; Mozafari, Mohadese; Malekshahian, Donya; Seif, Shima; Rahideh, Snaz; Mirsaeidi, Mehdi

    2014-01-01

    While NTM infection is mainly acquired from environmental exposure, monitoring of environmental niches for NTM is not a routine practice. This study aimed to find the prevalence of environmental NTM in soil and water in four highly populated suburbs of Tehran, Iran. A total of 4014 samples from soil and water resources were collected and studied. Sediments of each treated sample were cultured in Lowenstein-Jensen medium and observed twice per week for growth rate, colony morphology, and pigmentation. Colonies were studied with phenotypic tests. Molecular analysis was performed on single colonies derived from subculture of original isolates. Environmental samples were compared with 34 NTM isolates from patients who were residents of the study locations. Out of 4014 samples, mycobacteria were isolated from 862 (21.4%) specimens; 536 (62.1%) belonged to slow growing mycobacteria (SGM) and 326 (37.8%) were rapid growing mycobacteria (RGM). The five most frequent NTM were M. farcinogens (105/862; 12.1%), M. fortuitum (72/862; 8.3%), M. senegalense (58/862; 6.7%), M. kansasii (54/862; 6.2%), and M. simiae (46/862; 5.3%). In total, 62.5% (539/862) of mycobacterial positive samples were isolated from water and only 37.4% (323/862) of them were isolated from soil samples (Pdistribution pattern of environmental NTM isolates with clinical isolates suggests a possible transmission link, but this does not apply to all environmental NTM species. Our study confirms an increasing trend of NTM isolation from clinical samples that needs further investigation.

  4. Technology development for a single-photon source; Technologieentwicklung fuer eine Einzelphotonenquelle

    Energy Technology Data Exchange (ETDEWEB)

    Enzmann, Roland

    2011-08-02

    The growth of InAs-quantum dots on GaAs-substrate is established concerning low quantum dot densities (ca. 1 pro {mu}m{sup 2}) and high densities (> 100 pro {mu}m{sup 2}). However it is not possible to reach the telecommunication wavelength regime around 1.55 {mu}m with InAs-quantum dots on GaAs-substrate. In contrast to this, InP based materials, in general, provide the emission wavelength of 1.55 {mu}m. But the effort to fabricate InAs nanostructures on InP based material system by molecular beam epitaxy does not lead to quantum dots but in general to quantum dashes, which arise in high surface densities. To enable the growth of InAs-quantum dots based on InP several detailed growth studies on to InP-substrate lattice matched matrix material Al{sub x}Ga{sub y}In{sub 1-x-y}As were performed. Thereby the influence of growth rate, growth temperature, InAs coverage and the indium content on the growth surface have been investigated. InAs has been deposited on a thin indiumfree ''sublayer''. The corresponding growth studies showed that a 0.6 nm thick GaSb sublayer is the best choice. Using this technique quantum dots with surface densities from 1 to 150 per {mu}m{sup 2} could be realized. To make low quantum dot densities also on layers containing much aluminium possible, the Al{sub x}Ga{sub y}In{sub 1-x-y}As alloy was grown in the digital alloy growth mode, that is to say the pseudo binaries Al{sub 0,48}In{sub 0,52}As and Ga{sub 0,47}In{sub 0,53}As are grown by the second. By varying the bandgap of the matrix material, viz. by varying the aluminum content, single quantum dots emitting in the range from 1100 nm to 1560 nm could be realized. This way as well the optical O-band (1.3 {mu}m) with an aluminum content of 13% as the optical C-band (1.55 {mu}m) with an aluminum content of 4% could be realized. Another possibility to tailor the emission wavelength of quantum dots are so called stacked dots. In the process two layer of quantum dots, separated with a thin spacer

  5. Technology development for a single-photon source; Technologieentwicklung fuer eine Einzelphotonenquelle

    Energy Technology Data Exchange (ETDEWEB)

    Enzmann, Roland

    2011-08-02

    The growth of InAs-quantum dots on GaAs-substrate is established concerning low quantum dot densities (ca. 1 pro {mu}m{sup 2}) and high densities (> 100 pro {mu}m{sup 2}). However it is not possible to reach the telecommunication wavelength regime around 1.55 {mu}m with InAs-quantum dots on GaAs-substrate. In contrast to this, InP based materials, in general, provide the emission wavelength of 1.55 {mu}m. But the effort to fabricate InAs nanostructures on InP based material system by molecular beam epitaxy does not lead to quantum dots but in general to quantum dashes, which arise in high surface densities. To enable the growth of InAs-quantum dots based on InP several detailed growth studies on to InP-substrate lattice matched matrix material Al{sub x}Ga{sub y}In{sub 1-x-y}As were performed. Thereby the influence of growth rate, growth temperature, InAs coverage and the indium content on the growth surface have been investigated. InAs has been deposited on a thin indiumfree ''sublayer''. The corresponding growth studies showed that a 0.6 nm thick GaSb sublayer is the best choice. Using this technique quantum dots with surface densities from 1 to 150 per {mu}m{sup 2} could be realized. To make low quantum dot densities also on layers containing much aluminium possible, the Al{sub x}Ga{sub y}In{sub 1-x-y}As alloy was grown in the digital alloy growth mode, that is to say the pseudo binaries Al{sub 0,48}In{sub 0,52}As and Ga{sub 0,47}In{sub 0,53}As are grown by the second. By varying the bandgap of the matrix material, viz. by varying the aluminum content, single quantum dots emitting in the range from 1100 nm to 1560 nm could be realized. This way as well the optical O-band (1.3 {mu}m) with an aluminum content of 13% as the optical C-band (1.55 {mu}m) with an aluminum content of 4% could be realized. Another possibility to tailor the emission wavelength of quantum dots are so called stacked dots. In the process two layer of quantum dots

  6. Molecular Characterization of Yeast Strains Isolated from Different Sources by Restriction Fragment Length Polymorphism

    International Nuclear Information System (INIS)

    Ali, M. S.; Latif, Z.

    2016-01-01

    Various molecular techniques like analysis of the amplified rDNA internal transcribed spacers (ITS), intragenic spacers and total ITS region analysis by restriction fragment length polymorphism (RFLP) has been introduced for yeast identification but there are limited databases to identify yeast species on the basis of 5.8S rDNA. In this study, twenty nine yeast strains from various sources including spoiled fruits, vegetables, foodstuffs, and concentrated juices were characterized by PCR-RFLP. PCR-RFLP has been used to characterize yeasts present in different spoiled food samples after isolation of the yeasts. By using this technique, the isolated yeast strains were characterized by direct 5.8S-ITS rDNA region amplification. RFLP analysis was applied to each of the amplification products (varied from 400bp to 800bp) detected, and the corresponding yeast identifications were made according to each specific restriction patterns obtained after treatment with two endonucleases TaqI and HaeIII which yielded a specific banding pattern for each species. For further confirmation amplified products of eleven selected isolates were sequenced and blast on NCBI. Both RFLP and sequence analyses of the strains with accession nos. KF472163, KF472164, KF472165, KF472166, KF472167, KF472168, KF472169, KF472170, KF472171, KF472172, KF472173 gave significantly similar results. The isolates were found to belong five different yeast species including; Candida spp., Pichia spp., Kluyveromyces spp., Clavispora spp. and Hanseniaspora spp. This method provides a fast, easy, reliable and authentic way for determining yeast population present in different type of samples, as compared to traditional characterization technique. (author)

  7. Modelling single shot damage thresholds of multilayer optics for high-intensity short-wavelength radiation sources

    NARCIS (Netherlands)

    Loch, R.A.; Sobierajski, R.; Louis, Eric; Bosgra, J.; Bosgra, J.; Bijkerk, Frederik

    2012-01-01

    The single shot damage thresholds of multilayer optics for highintensity short-wavelength radiation sources are theoretically investigated, using a model developed on the basis of experimental data obtained at the FLASH and LCLS free electron lasers. We compare the radiation hardness of commonly

  8. 77 FR 58404 - Announcing the Award of Three Single-Source Program Expansion Supplement Grants to Unaccompanied...

    Science.gov (United States)

    2012-09-20

    ... DEPARTMENT OF HEALTH AND HUMAN SERVICES Office of Refugee Resettlement [CFDA Number 93.676... Children's Shelter Care Grantees AGENCY: Office of Refugee Resettlement, ACF, HHS. ACTION: The Office of Refugee Resettlement announces the award of three single-source program expansion supplement grants from...

  9. Intrinsic and environmental effects on the interference properties of a high-performance quantum dot single-photon source

    DEFF Research Database (Denmark)

    Gerhardt, Stefan; Iles-Smith, Jake; McCutcheon, Dara

    2018-01-01

    We report a joint experimental and theoretical study of the interference properties of a single-photon source based on a In(Ga)As quantum dot embedded in a quasiplanar GaAs microcavity. Using resonant laser excitation with a pulse separation of 2 ns, we find near-perfect interference of the emitt...... in excitonic Rabi oscillations....

  10. Using Extensible Markup Language (XML) for the Single Source Delivery of Educational Resources by Print and Online: A Case Study

    Science.gov (United States)

    Walsh, Lucas

    2007-01-01

    This article seeks to provide an introduction to Extensible Markup Language (XML) by looking at its use in a single source publishing approach to the provision of teaching resources in both hardcopy and online. Using the development of the International Baccalaureate Organisation's online Economics Subject Guide as a practical example, this…

  11. Using rapid diagnostic tests as source of malaria parasite DNA for molecular analyses in the era of declining malaria prevalence

    DEFF Research Database (Denmark)

    Ishengoma, Deus S; Lwitiho, Sudi; Madebe, Rashid A

    2011-01-01

    was conducted to examine if sufficient DNA could be successfully extracted from malaria rapid diagnostic tests (RDTs), used and collected as part of routine case management services in health facilities, and thus forming the basis for molecular analyses, surveillance and quality control (QC) testing of RDTs....... continued molecular surveillance of malaria parasites is important to early identify emerging anti-malarial drug resistance, it is becoming increasingly difficult to obtain parasite samples from ongoing studies, such as routine drug efficacy trials. To explore other sources of parasite DNA, this study...

  12. A Theoretical Investigation on Rectifying Performance of a Single Motor Molecular Device

    International Nuclear Information System (INIS)

    Lei Hui; Tan Xun-Qiong

    2015-01-01

    We report ab initio calculations of the transport behavior of a phenyl substituted molecular motor. The calculated results show that the transport behavior of the device is sensitive to the rotation degree of the rotor part. When the rotor part is parallel with the stator part, a better rectifying performance can be found in the current-voltage curve. However, when the rotor part revolves to vertical with the stator part, the currents in the positive bias region decrease slightly. More importantly, the rectifying performance disappears. Thus this offers us a new method to modulate the rectifying behavior in molecular devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. Single Amplified Genomes as Source for Novel Extremozymes: Annotation, Expression and Functional Assessment

    KAUST Repository

    Grötzinger, Stefan

    2017-12-01

    Enzymes, as nature’s catalysts, show remarkable abilities that can revolutionize the chemical, biotechnological, bioremediation, agricultural and pharmaceutical industries. However, the narrow range of stability of the majority of described biocatalysts limits their use for many applications. To overcome these restrictions, extremozymes derived from microorganisms thriving under harsh conditions can be used. Extremophiles living in high salinity are especially interesting as they operate at low water activity, which is similar to conditions used in standard chemical applications. Because only about 0.1 % of all microorganisms can be cultured, the traditional way of culture-based enzyme function determination needs to be overcome. The rise of high-throughput next-generation-sequencing technologies allows for deep insight into nature’s variety. Single amplified genomes (SAGs) specifically allow for whole genome assemblies from small sample volumes with low cell yields, as are typical for extreme environments. Although these technologies have been available for years, the expected boost in biotechnology has held off. One of the main reasons is the lack of reliable functional annotation of the genomic data, which is caused by the low amount (0.15 %) of experimentally described genes. Here, we present a novel annotation algorithm, designed to annotate the enzymatic function of genomes from microorganisms with low homologies to described microorganisms. The algorithm was established on SAGs from the extreme environment of selected hypersaline Red Sea brine pools with 4.3 M salinity and temperatures up to 68°C. Additionally, a novel consensus pattern for the identification of γ-carbonic anhydrases was created and applied in the algorithm. To verify the annotation, selected genes were expressed in the hypersaline expression system Halobacterium salinarum. This expression system was established and optimized in a continuously stirred tank reactor, leading to

  14. Internal validation of STRmix™ for the interpretation of single source and mixed DNA profiles.

    Science.gov (United States)

    Moretti, Tamyra R; Just, Rebecca S; Kehl, Susannah C; Willis, Leah E; Buckleton, John S; Bright, Jo-Anne; Taylor, Duncan A; Onorato, Anthony J

    2017-07-01

    The interpretation of DNA evidence can entail analysis of challenging STR typing results. Genotypes inferred from low quality or quantity specimens, or mixed DNA samples originating from multiple contributors, can result in weak or inconclusive match probabilities when a binary interpretation method and necessary thresholds (such as a stochastic threshold) are employed. Probabilistic genotyping approaches, such as fully continuous methods that incorporate empirically determined biological parameter models, enable usage of more of the profile information and reduce subjectivity in interpretation. As a result, software-based probabilistic analyses tend to produce more consistent and more informative results regarding potential contributors to DNA evidence. Studies to assess and internally validate the probabilistic genotyping software STRmix™ for casework usage at the Federal Bureau of Investigation Laboratory were conducted using lab-specific parameters and more than 300 single-source and mixed contributor profiles. Simulated forensic specimens, including constructed mixtures that included DNA from two to five donors across a broad range of template amounts and contributor proportions, were used to examine the sensitivity and specificity of the system via more than 60,000 tests comparing hundreds of known contributors and non-contributors to the specimens. Conditioned analyses, concurrent interpretation of amplification replicates, and application of an incorrect contributor number were also performed to further investigate software performance and probe the limitations of the system. In addition, the results from manual and probabilistic interpretation of both prepared and evidentiary mixtures were compared. The findings support that STRmix™ is sufficiently robust for implementation in forensic laboratories, offering numerous advantages over historical methods of DNA profile analysis and greater statistical power for the estimation of evidentiary weight, and

  15. Adiabatic and non-adiabatic charge pumping in a single-level molecular motor

    NARCIS (Netherlands)

    Napitu, B.D.; Thijssen, J.M.

    2015-01-01

    We propose a design for realizing quantum charge pump based on a recent proposal for a molecular motor (Seldenthuis J S et al 2010 ACS Nano 4 6681). Our design is based on the presence of a moiety with a permanent dipole moment which can rotate, thereby modulating the couplings to metallic contacts

  16. Water models based on a single potential energy surface and different molecular degrees of freedom

    Science.gov (United States)

    Saint-Martin, Humberto; Hernández-Cobos, Jorge; Ortega-Blake, Iván

    2005-06-01

    Up to now it has not been possible to neatly assess whether a deficient performance of a model is due to poor parametrization of the force field or the lack of inclusion of enough molecular properties. This work compares several molecular models in the framework of the same force field, which was designed to include many-body nonadditive effects: (a) a polarizable and flexible molecule with constraints that account for the quantal nature of the vibration [B. Hess, H. Saint-Martin, and H. J. C. Berendsen, J. Chem. Phys. 116, 9602 (2002), H. Saint-Martin, B. Hess, and H. J. C. Berendsen, J. Chem. Phys. 120, 11133 (2004)], (b) a polarizable and classically flexible molecule [H. Saint-Martin, J. Hernández-Cobos, M. I. Bernal-Uruchurtu, I. Ortega-Blake, and H. J. C. Berendsen, J. Chem. Phys. 113, 10899 (2000)], (c) a polarizable and rigid molecule, and finally (d) a nonpolarizable and rigid molecule. The goal is to determine how significant the different molecular properties are. The results indicate that all factors—nonadditivity, polarizability, and intramolecular flexibility—are important. Still, approximations can be made in order to diminish the computational cost of the simulations with a small decrease in the accuracy of the predictions, provided that those approximations are counterbalanced by the proper inclusion of an effective molecular property, that is, an average molecular geometry or an average dipole. Hence instead of building an effective force field by parametrizing it in order to reproduce the properties of a specific phase, a building approach is proposed that is based on adequately restricting the molecular flexibility and/or polarizability of a model potential fitted to unimolecular properties, pair interactions, and many-body nonadditive contributions. In this manner, the same parental model can be used to simulate the same substance under a wide range of thermodynamic conditions. An additional advantage of this approach is that, as the force

  17. Molecular epidemiology of nontuberculous mycobacteria isolates from clinical and environmental sources of a metropolitan city.

    Directory of Open Access Journals (Sweden)

    Ali Akbar Velayati

    Full Text Available While NTM infection is mainly acquired from environmental exposure, monitoring of environmental niches for NTM is not a routine practice. This study aimed to find the prevalence of environmental NTM in soil and water in four highly populated suburbs of Tehran, Iran.A total of 4014 samples from soil and water resources were collected and studied. Sediments of each treated sample were cultured in Lowenstein-Jensen medium and observed twice per week for growth rate, colony morphology, and pigmentation. Colonies were studied with phenotypic tests. Molecular analysis was performed on single colonies derived from subculture of original isolates. Environmental samples were compared with 34 NTM isolates from patients who were residents of the study locations.Out of 4014 samples, mycobacteria were isolated from 862 (21.4% specimens; 536 (62.1% belonged to slow growing mycobacteria (SGM and 326 (37.8% were rapid growing mycobacteria (RGM. The five most frequent NTM were M. farcinogens (105/862; 12.1%, M. fortuitum (72/862; 8.3%, M. senegalense (58/862; 6.7%, M. kansasii (54/862; 6.2%, and M. simiae (46/862; 5.3%. In total, 62.5% (539/862 of mycobacterial positive samples were isolated from water and only 37.4% (323/862 of them were isolated from soil samples (P<0.05. Out of 5314 positive clinical samples for mycobacteria, 175 (3.2% isolates were NTM. The trend of NTM isolates increased from 1.2% (13 out of 1078 in 2004 to 3.8% (39 out of 1005 in 2014 (P = 0.0001. The major clinical isolates were M. simiae (51; 29.1%, M. kansasii (26; 14.8%, M. chelonae (28; 16%, and M. fortuitum (13; 7.4%.Comparing the distribution pattern of environmental NTM isolates with clinical isolates suggests a possible transmission link, but this does not apply to all environmental NTM species. Our study confirms an increasing trend of NTM isolation from clinical samples that needs further investigation.

  18. Characterization of single spore isolates of Agaricus bisporus (Lange) Imbach using conventional and molecular methods.

    Science.gov (United States)

    Sharma, Manju; Suman, B C; Gupta, Dharmesh

    2014-10-01

    Strains A-15, S11, S-140, and U3 of Agaricus bisporus (Lange) Imbach, were used as parent strains for raising single spore homokaryotic isolates. Out of total 1,642 single spore isolates, only 36 single spore isolates were homokaryons and exhibited slow mycelial growth rate (≤2.0 mm/day) and appressed colony morphology. All these SSIs failed to produce pinheads in Petri plates even after 65 days of incubation, whereas the strandy slow growing SSIs along with parent strains were able to form the fructification in petriplates after 30 days. Out of 24, six ISSR primers, exhibited scorable bands. In the ISSR fingerprints, single spore isolates, homokaryons, lacked amplification products at multiple loci; they grow slowly and all of them had appressed types of colony morphology. The study revealed losses of ISSR polymorphic patterns in non-fertile homokaryotic single spore isolates compared to the parental control or fertile heterokaryotic single spore isolates.

  19. Extracting physics of life at the molecular level: A review of single-molecule data analyses.

    Science.gov (United States)

    Colomb, Warren; Sarkar, Susanta K

    2015-06-01

    Studying individual biomolecules at the single-molecule level has proved very insightful recently. Single-molecule experiments allow us to probe both the equilibrium and nonequilibrium properties as well as make quantitative connections with ensemble experiments and equilibrium thermodynamics. However, it is important to be careful about the analysis of single-molecule data because of the noise present and the lack of theoretical framework for processes far away from equilibrium. Biomolecular motion, whether it is free in solution, on a substrate, or under force, involves thermal fluctuations in varying degrees, which makes the motion noisy. In addition, the noise from the experimental setup makes it even more complex. The details of biologically relevant interactions, conformational dynamics, and activities are hidden in the noisy single-molecule data. As such, extracting biological insights from noisy data is still an active area of research. In this review, we will focus on analyzing both fluorescence-based and force-based single-molecule experiments and gaining biological insights at the single-molecule level. Inherently nonequilibrium nature of biological processes will be highlighted. Simulated trajectories of biomolecular diffusion will be used to compare and validate various analysis techniques. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Atmospheric-pressure solution-cathode glow discharge: A versatile ion source for atomic and molecular mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Schwartz, Andrew J. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Williams, Kelsey L. [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Hieftje, Gary M. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Shelley, Jacob T., E-mail: shellj@rpi.edu [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY, 12180 (United States)

    2017-01-15

    An atmospheric-pressure solution-cathode glow discharge (SCGD) has been evaluated as an ion source for atomic, molecular, and ambient desorption/ionization mass spectrometry. The SCGD consists of a direct-current plasma, supported in the ambient air in the absence of gas flows, and sustained upon the surface of a flowing liquid cathode. Analytes introduced in the flowing liquid, as an ambient gas, or as a solid held near the plasma are vaporized and ionized by interactions within or near the discharge. Introduction of acidic solutions containing metal salts produced bare elemental ions as well as H{sub 2}O, OH{sup −} and NO{sub 3}{sup −} adducts. Detection limits for these elemental species ranged from 0.1 to 4 ppb, working curves spanned more than 4 orders of linear dynamic range, and precision varied between 5 and 16% relative standard deviation. Small organic molecules were also efficiently ionized from solution, and both the intact molecular ion and fragments were observed in the resulting SCGD mass spectra. Fragmentation of molecular species was found to be tunable; high discharge currents led to harder ionization, while low discharge currents produced stronger molecular-ion signals. Ambient gases and solids, desorbed by the plasma from a glass probe, were also readily ionized by the SCGD. Indeed, strong analyte signals were obtained from solid samples placed at least 2 cm from the plasma. These findings indicate that the SCGD might be useful also for ambient desorption/ionization mass spectrometry. Combined with earlier results that showed the SCGD is useful for ionization of labile biomolecules, the results here indicate that the SCGD is a highly versatile ion source capable of providing both elemental and molecular mass-spectral information. - Highlights: • Solution-cathode glow discharge used as an ionization source for mass spectrometry. • SCGD-MS can provide atomic as well as intact molecular mass spectra. • Atomic limits of detection range

  1. Compact source of narrow-band counterpropagating polarization-entangled photon pairs using a single dual-periodically-poled crystal

    International Nuclear Information System (INIS)

    Gong, Yan-Xiao; Xie, Zhen-Da; Xu, Ping; Zhu, Shi-Ning; Yu, Xiao-Qiang; Xue, Peng

    2011-01-01

    We propose a scheme for the generation of counterpropagating polarization-entangled photon pairs from a dual-periodically-poled crystal. Compared with the usual forward-wave-type source, this source, in the backward-wave way, has a much narrower bandwidth. With a 2-cm-long bulk crystal, the bandwidths of the example sources are estimated to be 3.6 GHz, and the spectral brightnesses are more than 100 pairs/(s GHz mW). Two concurrent quasi-phase-matched spontaneous parametric down-conversion processes in a single crystal enable our source to be compact and stable. This scheme does not rely on any state projection and applies to both degenerate and nondegenerate cases, facilitating applications of the entangled photons.

  2. Elliptical quantum dots as on-demand single photons sources with deterministic polarization states

    Energy Technology Data Exchange (ETDEWEB)

    Teng, Chu-Hsiang; Demory, Brandon; Ku, Pei-Cheng, E-mail: peicheng@umich.edu [Department of Electrical Engineering and Computer Science, University of Michigan, 1301 Beal Ave., Ann Arbor, Michigan 48105 (United States); Zhang, Lei; Hill, Tyler A.; Deng, Hui [Department of Mechanical Engineering, University of Michigan, 2350 Hayward St., Ann Arbor, Michigan 48105 (United States)

    2015-11-09

    In quantum information, control of the single photon's polarization is essential. Here, we demonstrate single photon generation in a pre-programmed and deterministic polarization state, on a chip-scale platform, utilizing site-controlled elliptical quantum dots (QDs) synthesized by a top-down approach. The polarization from the QD emission is found to be linear with a high degree of linear polarization and parallel to the long axis of the ellipse. Single photon emission with orthogonal polarizations is achieved, and the dependence of the degree of linear polarization on the QD geometry is analyzed.

  3. Herschel observations of extraordinary sources: Analysis of the full Herschel/HIFI molecular line survey of sagittarius B2(N)

    Energy Technology Data Exchange (ETDEWEB)

    Neill, Justin L.; Bergin, Edwin A.; Crockett, Nathan R.; Favre, Cécile; Anderson, Dana E.; Burkhardt, Andrew M.; McNeill, Trevor D. [Department of Astronomy, University of Michigan, 500 Church Street, Ann Arbor, MI 48109 (United States); Lis, Dariusz C.; Emprechtinger, Martin; Monje, Raquel R.; Phillips, Thomas G. [California Institute of Technology, Cahill Center for Astronomy and Astrophysics 301-17, Pasadena, CA 91125 (United States); Schilke, Peter; Comito, Claudia; Qin, Sheng-Li [Physikalisches Institut, Universität zu Köln, Zülpicher Str. 77, D-50937 Köln (Germany); Chen, Jo-Hsin [Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Drive, Pasadena, CA 91109 (United States); Harris, Brent J.; Steber, Amanda L.; Vasyunina, Tatiana [Department of Chemistry, University of Virginia, McCormick Road, Charlottesville, VA 22904 (United States); Lord, Steven D. [National Herschel Science Center, California Institute of Technology, Pasadena, CA 91125 (United States); McGuire, Brett A., E-mail: jneill@umich.edu, E-mail: ebergin@umich.edu [Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125 (United States); and others

    2014-07-01

    A sensitive broadband molecular line survey of the Sagittarius B2(N) star-forming region has been obtained with the Heterodyne Instrument for the Far-Infrared (HIFI) instrument on the Herschel Space Observatory, offering the first high spectral resolution look at this well-studied source in a wavelength region largely inaccessible from the ground (625-157 μm). From the roughly 8000 spectral features in the survey, a total of 72 isotopologues arising from 44 different molecules have been identified, ranging from light hydrides to complex organics, and arising from a variety of environments from cold and diffuse to hot and dense gas. We present a local thermodynamic equilibrium (LTE) model to the spectral signatures of each molecule, constraining the source sizes for hot core species with complementary Submillimeter Array interferometric observations and assuming that molecules with related functional group composition are cospatial. For each molecule, a single model is given to fit all of the emission and absorption features of that species across the entire 480-1910 GHz spectral range, accounting for multiple temperature and velocity components when needed to describe the spectrum. As with other HIFI surveys toward massive star-forming regions, methanol is found to contribute more integrated line intensity to the spectrum than any other species. We discuss the molecular abundances derived for the hot core where the LTE approximation is generally found to describe the spectrum well, in comparison to abundances derived for the same molecules in the Orion KL region from a similar HIFI survey. Notably, we find significantly higher abundances of amine- and amide-bearing molecules (CH{sub 3}NH{sub 2}, CH{sub 2}NH, and NH{sub 2}CHO) toward Sgr B2(N) than Orion KL and lower abundances of some complex oxygen-bearing molecules (CH{sub 3}OCHO in particular). In addition to information on the chemical composition of the hot core, the strong far-infrared dust continuum allows

  4. Single molecular switch based on thiol tethered iron(II)clathrochelate on gold

    Energy Technology Data Exchange (ETDEWEB)

    Viswanathan, Subramanian [Institute of Animal Reproduction and Food Research of the Polish Academy of Sciences, Tuwima 10, 10-747 Olsztyn (Poland); Voloshin, Yan Z. [Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, 119991 Moscow (Russian Federation); Radecka, Hanna [Institute of Animal Reproduction and Food Research of the Polish Academy of Sciences, Tuwima 10, 10-747 Olsztyn (Poland); Radecki, Jerzy [Institute of Animal Reproduction and Food Research of the Polish Academy of Sciences, Tuwima 10, 10-747 Olsztyn (Poland)], E-mail: radecki@pan.olsztyn.pl

    2009-09-30

    Molecular electronics has been associated with high density nano-electronic devices. Developments of molecular electronic devices were based on reversible switching of molecules between the two conductive states. In this paper, self-assembled monolayers of dodecanethiol (DDT) and thiol tethered iron(II)clathrochelate (IC) have been prepared on gold film. The electrochemical and electronic properties of IC molecules inserted into the dodecanethiol monolayer (IC-DDT SAM) were investigated using voltammetric, electrochemical impedance spectroscopy (EIS), scanning tunneling microscopy (STM) and cross-wire tunneling measurements. The voltage triggered switching behaviour of IC molecules on mixed SAM was demonstrated. Deposition of polyaniline on the redox sites of IC-DDT SAM using electrochemical polymerization of aniline was performed in order to confirm that this monolayer acts as nano-patterned semiconducting electrode surface.

  5. Waterborne polyurethane single-ion electrolyte from aliphatic diisocyanate and various molecular length of polyethylene glycol

    Directory of Open Access Journals (Sweden)

    2007-03-01

    Full Text Available The waterborne polyurethane (WPU dispersions from the reaction of cycloaliphatic diisocyanates [4,4’-methylenebis(cyclohexyl isocyanate (H12MDI and isophorone diisocyanate (IPDI] and polyethylene glycol (PEG with various molecular lengths were synthesized using our modified acetone process. Differetial scanning calorimeter (DSC and Fourier transform infrared spectroscopy (FTIR were utilized to characterize WPU films for the behavior of their crystallinity and H-bonding of WPU films. The Tg value of WPU increases with increasing the molecular length of PEG, whereas the Tm of WPU decreases with increasing PEG length. Alternating current (AC impedance experiments were performed to determine the ionic conductivities of WPU films. The WPU gel electrolytes exhibits an ionic conductivity as high as ~ 10-5 S/cm at room temperature.

  6. The photonic nanowire: an emerging platform for highly efficient single-photon sources for quantum information applications

    DEFF Research Database (Denmark)

    Gregersen, Niels; Munsch, Mathieu; Malik, Nitin S.

    2013-01-01

    Efficient coupling between a localized quantum emitter and a well defined optical channel represents a powerful route to realize single-photon sources and spin-photon interfaces. The tailored fiber-like photonic nanowire embedding a single quantum dot has recently demonstrated an appealing...... potential. However, the device requires a delicate, sharp needle-like taper with performance sensitive to minute geometrical details. To overcome this limitation we demonstrate the photonic trumpet, exploiting an opposite tapering strategy. The trumpet features a strongly Gaussian far-field emission...

  7. Molecular Genetic Characterization of Mutagenesis Using a Highly Sensitive Single-Stranded DNA Reporter System in Budding Yeast.

    Science.gov (United States)

    Chan, Kin

    2018-01-01

    Mutations are permanent alterations to the coding content of DNA. They are starting material for the Darwinian evolution of species by natural selection, which has yielded an amazing diversity of life on Earth. Mutations can also be the fundamental basis of serious human maladies, most notably cancers. In this chapter, I describe a highly sensitive reporter system for the molecular genetic analysis of mutagenesis, featuring controlled generation of long stretches of single-stranded DNA in budding yeast cells. This system is ~100- to ~1000-fold more susceptible to mutation than conventional double-stranded DNA reporters, and is well suited for generating large mutational datasets to investigate the properties of mutagens.

  8. SCELib2: the new revision of SCELib, the parallel computational library of molecular properties in the single center approach

    Science.gov (United States)

    Sanna, N.; Morelli, G.

    2004-09-01

    In this paper we present the new version of the SCELib program (CPC Catalogue identifier ADMG) a full numerical implementation of the Single Center Expansion (SCE) method. The physics involved is that of producing the SCE description of molecular electronic densities, of molecular electrostatic potentials and of molecular perturbed potentials due to a point negative or positive charge. This new revision of the program has been optimized to run in serial as well as in parallel execution mode, to support a larger set of molecular symmetries and to permit the restart of long-lasting calculations. To measure the performance of this new release, a comparative study has been carried out on the most powerful computing architectures in serial and parallel runs. The results of the calculations reported in this paper refer to real cases medium to large molecular systems and they are reported in full details to benchmark at best the parallel architectures the new SCELib code will run on. Program summaryTitle of program: SCELib2 Catalogue identifier: ADGU Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADGU Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Reference to previous versions: Comput. Phys. Commun. 128 (2) (2000) 139 (CPC catalogue identifier: ADMG) Does the new version supersede the original program?: Yes Computer for which the program is designed and others on which it has been tested: HP ES45 and rx2600, SUN ES4500, IBM SP and any single CPU workstation based on Alpha, SPARC, POWER, Itanium2 and X86 processors Installations: CASPUR, local Operating systems under which the program has been tested: HP Tru64 V5.X, SUNOS V5.8, IBM AIX V5.X, Linux RedHat V8.0 Programming language used: C Memory required to execute with typical data: 10 Mwords. Up to 2000 Mwords depending on the molecular system and runtime parameters No. of bits in a word: 64 No. of processors used: 1 to 32 Has the code been vectorized or parallelized?: Yes

  9. Electrochemical gate-controlled electron transport of redox-active single perylene bisimide molecular junctions

    International Nuclear Information System (INIS)

    Li, C; Mishchenko, A; Li, Z; Pobelov, I; Wandlowski, Th; Li, X Q; Wuerthner, F; Bagrets, A; Evers, F

    2008-01-01

    We report a scanning tunneling microscopy (STM) experiment in an electrochemical environment which studies a prototype molecular switch. The target molecules were perylene tetracarboxylic acid bisimides modified with pyridine (P-PBI) and methylthiol (T-PBI) linker groups and with bulky tert-butyl-phenoxy substituents in the bay area. At a fixed bias voltage, we can control the transport current through a symmetric molecular wire Au|P-PBI(T-PBI)|Au by variation of the electrochemical 'gate' potential. The current increases by up to two orders of magnitude. The conductances of the P-PBI junctions are typically a factor 3 larger than those of T-PBI. A theoretical analysis explains this effect as a consequence of shifting the lowest unoccupied perylene level (LUMO) in or out of the bias window when tuning the electrochemical gate potential VG. The difference in on/off ratios reflects the variation of hybridization of the LUMO with the electrode states with the anchor groups. I T -E S(T) curves of asymmetric molecular junctions formed between a bare Au STM tip and a T-PBI (P-PBI) modified Au(111) electrode in an aqueous electrolyte exhibit a pronounced maximum in the tunneling current at -0.740, which is close to the formal potential of the surface-confined molecules. The experimental data were explained by a sequential two-step electron transfer process

  10. High-temperature operation of self-assembled GaInNAs/GaAsN quantum-dot lasers grown by solid-source molecular-beam epitaxy

    International Nuclear Information System (INIS)

    Liu, C.Y.; Yoon, S.F.; Sun, Z.Z.; Yew, K.C.

    2006-01-01

    Self-assembled GaInNAs/GaAsN single layer quantum-dot (QD) lasers grown using solid-source molecular-beam epitaxy have been fabricated and characterized. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm 2 from a GaInNAs QD laser (50x1700 μm 2 ) at 10 deg. C. High-temperature operation up to 65 deg. C was also demonstrated from an unbonded GaInNAs QD laser (50x1060 μm 2 ), with high characteristic temperature of 79.4 K in the temperature range of 10-60 deg. C

  11. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics

    Directory of Open Access Journals (Sweden)

    Mizuho Fushitani

    2016-11-01

    Full Text Available We present applications of extreme ultraviolet (XUV single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N2 molecules.

  12. Single-order laser high harmonics in XUV for ultrafast photoelectron spectroscopy of molecular wavepacket dynamics.

    Science.gov (United States)

    Fushitani, Mizuho; Hishikawa, Akiyoshi

    2016-11-01

    We present applications of extreme ultraviolet (XUV) single-order laser harmonics to gas-phase ultrafast photoelectron spectroscopy. Ultrashort XUV pulses at 80 nm are obtained as the 5th order harmonics of the fundamental laser at 400 nm by using Xe or Kr as the nonlinear medium and separated from other harmonic orders by using an indium foil. The single-order laser harmonics is applied for real-time probing of vibrational wavepacket dynamics of I 2 molecules in the bound and dissociating low-lying electronic states and electronic-vibrational wavepacket dynamics of highly excited Rydberg N 2 molecules.

  13. 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

  14. Ultrahigh-throughput exfoliation of graphite into pristine ‘single-layer’ graphene using microwaves and molecularly engineered ionic liquids

    Science.gov (United States)

    Matsumoto, Michio; Saito, Yusuke; Park, Chiyoung; Fukushima, Takanori; Aida, Takuzo

    2015-09-01

    Graphene has shown much promise as an organic electronic material but, despite recent achievements in the production of few-layer graphene, the quantitative exfoliation of graphite into pristine single-layer graphene has remained one of the main challenges in developing practical devices. Recently, reduced graphene oxide has been recognized as a non-feasible alternative to graphene owing to variable defect types and levels, and attention is turning towards reliable methods for the high-throughput exfoliation of graphite. Here we report that microwave irradiation of graphite suspended in molecularly engineered oligomeric ionic liquids allows for ultrahigh-efficiency exfoliation (93% yield) with a high selectivity (95%) towards ‘single-layer’ graphene (that is, with thicknesses oligomeric ionic liquids up to ~100 mg ml-1, and form physical gels in which an anisotropic orientation of graphene sheets, once induced by a magnetic field, is maintained.

  15. Accurate determination of genetic identity for a single cacao bean, using molecular markers with a nanofluidic system, ensures cocoa authentication.

    Science.gov (United States)

    Fang, Wanping; Meinhardt, Lyndel W; Mischke, Sue; Bellato, Cláudia M; Motilal, Lambert; Zhang, Dapeng

    2014-01-15

    Cacao (Theobroma cacao L.), the source of cocoa, is an economically important tropical crop. One problem with the premium cacao market is contamination with off-types adulterating raw premium material. Accurate determination of the genetic identity of single cacao beans is essential for ensuring cocoa authentication. Using nanofluidic single nucleotide polymorphism (SNP) genotyping with 48 SNP markers, we generated SNP fingerprints for small quantities of DNA extracted from the seed coat of single cacao beans. On the basis of the SNP profiles, we identified an assumed adulterant variety, which was unambiguously distinguished from the authentic beans by multilocus matching. Assignment tests based on both Bayesian clustering analysis and allele frequency clearly separated all 30 authentic samples from the non-authentic samples. Distance-based principle coordinate analysis further supported these results. The nanofluidic SNP protocol, together with forensic statistical tools, is sufficiently robust to establish authentication and to verify gourmet cacao varieties. This method shows significant potential for practical application.

  16. Lattice and Molecular Vibrations in Single Crystal I2 at 77 K by Inelastic Neutron Scattering

    DEFF Research Database (Denmark)

    Smith, H. G.; Nielsen, Mourits; Clark, C. B.

    1975-01-01

    Phonon dispersion curves of single crystal iodine at 77 K have been measured by one-phonon coherent inelastic neutron scattering techniques. The data are analysed in terms of two Buckingham-six intermolecular potentials; one to represent the shortest intermolecular interaction (3.5 Å) and the other...

  17. A Molecular Analysis of Training Multiple versus Single Manipulations to Establish a Generalized Manipulative Imitation Repertoire

    Science.gov (United States)

    Hartley, Breanne K.

    2009-01-01

    This study evaluates the necessity of training multiple versus single manipulative-imitations per object in order to establish generalized manipulative-imitation. Training took place in Croyden Avenue School's Early Childhood Developmental Delay preschool classroom in Kalamazoo, MI. Two groups of 3 children each were trained to imitate in order to…

  18. Quantifying the Assembly of Multicomponent Molecular Machines by Single-Molecule Total Internal Reflection Fluorescence Microscopy.

    Science.gov (United States)

    Boehm, E M; Subramanyam, S; Ghoneim, M; Washington, M Todd; Spies, M

    2016-01-01

    Large, dynamic macromolecular complexes play essential roles in many cellular processes. Knowing how the components of these complexes associate with one another and undergo structural rearrangements is critical to understanding how they function. Single-molecule total internal reflection fluorescence (TIRF) microscopy is a powerful approach for addressing these fundamental issues. In this article, we first discuss single-molecule TIRF microscopes and strategies to immobilize and fluorescently label macromolecules. We then review the use of single-molecule TIRF microscopy to study the formation of binary macromolecular complexes using one-color imaging and inhibitors. We conclude with a discussion of the use of TIRF microscopy to examine the formation of higher-order (i.e., ternary) complexes using multicolor setups. The focus throughout this article is on experimental design, controls, data acquisition, and data analysis. We hope that single-molecule TIRF microscopy, which has largely been the province of specialists, will soon become as common in the tool box of biophysicists and biochemists as structural approaches have become today. © 2016 Elsevier Inc. All rights reserved.

  19. Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

    Science.gov (United States)

    Krüger, Magnus; Huang, Mao-Dong; Becker-Roß, Helmut; Florek, Stefan; Ott, Ingo; Gust, Ronald

    The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of "fluorine as a probe in medicinal chemistry" an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells.

  20. Comparing Multipollutant Emissions-Based Mobile Source Indicators to Other Single Pollutant and Multipollutant Indicators in Different Urban Areas

    Directory of Open Access Journals (Sweden)

    Michelle M. Oakes

    2014-11-01

    Full Text Available A variety of single pollutant and multipollutant metrics can be used to represent exposure to traffic pollutant mixtures and evaluate their health effects. Integrated mobile source indicators (IMSIs that combine air quality concentration and emissions data have recently been developed and evaluated using data from Atlanta, Georgia. IMSIs were found to track trends in traffic-related pollutants and have similar or stronger associations with health outcomes. In the current work, we apply IMSIs for gasoline, diesel and total (gasoline + diesel vehicles to two other cities (Denver, Colorado and Houston, Texas with different emissions profiles as well as to a different dataset from Atlanta. We compare spatial and temporal variability of IMSIs to single-pollutant indicators (carbon monoxide (CO, nitrogen oxides (NOx and elemental carbon (EC and multipollutant source apportionment factors produced by Positive Matrix Factorization (PMF. Across cities, PMF-derived and IMSI gasoline metrics were most strongly correlated with CO (r = 0.31–0.98, while multipollutant diesel metrics were most strongly correlated with EC (r = 0.80–0.98. NOx correlations with PMF factors varied across cities (r = 0.29–0.67, while correlations with IMSIs were relatively consistent (r = 0.61–0.94. In general, single-pollutant metrics were more correlated with IMSIs (r = 0.58–0.98 than with PMF-derived factors (r = 0.07–0.99. A spatial analysis indicated that IMSIs were more strongly correlated (r > 0.7 between two sites in each city than single pollutant and PMF factors. These findings provide confidence that IMSIs provide a transferable, simple approach to estimate mobile source air pollution in cities with differing topography and source profiles using readily available data.

  1. Novel Family of Single-Phase Modified Impedance-Source Buck-Boost Multilevel Inverters with Reduced Switch Count

    DEFF Research Database (Denmark)

    Husev, Oleksandr; Strzelecki, Ryszard; Blaabjerg, Frede

    2016-01-01

    This paper describes novel single-phase solutions with increased inverter voltage levels derived by means of a nonstandard inverter configuration and impedance source networks. Operation principles based on special modulation techniques are presented. Detailed component design guidelines along wi...... with simulation and experimental verification are also provided. Possible application fields are discussed, as well as advantages and disadvantages. Finally, future studies are addressed for the new solutions....

  2. A Fuzzy Logic Based Three phase Inverter with Single DC Source for Grid Connected PV System Employing Three Phase Transformer

    OpenAIRE

    Mani, venkatesan; Ramachandran, Rajeswari; N, Deverajan

    2016-01-01

    A fuzzy based three phase inverter with single DC source for grid connected photo voltaic (PV) system employing three phase transformer is presented in this paper. Space Vector Pulse Width Modulation (SVPWM) control scheme is effectively used to generate the appropriate switching sequences to the inverter switches. The intend of the fuzzy logic approach is to meet high quality output, fast response and high robustness. Finally Total Harmonics Distortion (THD) generated by the inverter is comp...

  3. Single NdPc{sub 2} molecules on surfaces. Adsorption, interaction, and molecular magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Fahrendorf, Sarah

    2013-01-24

    They have huge potential for application in molecular-spin-transistors, molecular-spinvalves, and molecular quantum computing. SMMs are characterized by high spin ground states with zero-field splitting leading to high relaxation barriers and long relaxation times. A relevant class of molecules are the lanthanide double-decker phthalocyanines (LaPc{sub 2}) with only one metal atom sandwiched between two organic phthalocyanine (Pc) ligands. For envisaged spintronic applications it is important to understand the interaction between the molecules and the substrate and its influence on the electronic and magnetic properties. The subject of this thesis is the investigation of the adsorbed neodymium double-decker phthalocyanine (NdPc{sub 2}) by means of low temperature scanning tunneling microscopy and spectroscopy (STM and STS). The molecules are deposited by sublimation onto different substrates. It is observed that a large fraction of the double-decker molecules decomposes during deposition. The decomposition probability strongly depends on the chosen substrate. Therefore it is concluded that the substrate modifies the electronic structure of the molecule leading to a stabilization or destabilization of the molecular entity. Charge transfer from the surface to the molecule is identified as a potential stabilizing mechanism. The electronic and magnetic properties are investigated in detail for adsorbed NdPc{sub 2} molecules on Cu(100). The results of the experimental study are compared to state-of-the-art density functional theory calculations performed by our colleagues from the Peter Gruenberg Institute (PGI-1) at the Forschungszentrum Juelich. Interestingly, the lower Pc ring of the molecule hybridizes intensely with the substrate leading to strong chemisorption of the molecule, while the upper Pc ring keeps its molecular type electronic states, which can be energetically shifted by an external electric field. Importantly, it is possible to get direct access to the

  4. Single NdPc2 molecules on surfaces. Adsorption, interaction, and molecular magnetism

    International Nuclear Information System (INIS)

    Fahrendorf, Sarah

    2013-01-01

    They have huge potential for application in molecular-spin-transistors, molecular-spinvalves, and molecular quantum computing. SMMs are characterized by high spin ground states with zero-field splitting leading to high relaxation barriers and long relaxation times. A relevant class of molecules are the lanthanide double-decker phthalocyanines (LaPc 2 ) with only one metal atom sandwiched between two organic phthalocyanine (Pc) ligands. For envisaged spintronic applications it is important to understand the interaction between the molecules and the substrate and its influence on the electronic and magnetic properties. The subject of this thesis is the investigation of the adsorbed neodymium double-decker phthalocyanine (NdPc 2 ) by means of low temperature scanning tunneling microscopy and spectroscopy (STM and STS). The molecules are deposited by sublimation onto different substrates. It is observed that a large fraction of the double-decker molecules decomposes during deposition. The decomposition probability strongly depends on the chosen substrate. Therefore it is concluded that the substrate modifies the electronic structure of the molecule leading to a stabilization or destabilization of the molecular entity. Charge transfer from the surface to the molecule is identified as a potential stabilizing mechanism. The electronic and magnetic properties are investigated in detail for adsorbed NdPc 2 molecules on Cu(100). The results of the experimental study are compared to state-of-the-art density functional theory calculations performed by our colleagues from the Peter Gruenberg Institute (PGI-1) at the Forschungszentrum Juelich. Interestingly, the lower Pc ring of the molecule hybridizes intensely with the substrate leading to strong chemisorption of the molecule, while the upper Pc ring keeps its molecular type electronic states, which can be energetically shifted by an external electric field. Importantly, it is possible to get direct access to the spin

  5. Epitaxial growth and new phase of single crystal Dy by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Yang, Kai-Yueh; Homma, Hitoshi; Schuller, I.K.

    1987-09-01

    We have grown two novel epitaxial phases of dysprosium (Dy) on vanadium (V) by molecular beam epitaxy technique. Surface and bulk structures are studied by in-situ reflection high energy electron diffraction (RHEED) and x-ray diffraction techniques. The new hcp phases are ∼4% expanded uniformly in-plane (0001), and ∼9% and ∼4% expanded out of plane along the c-axes for non-interrupted and interrupted deposition case, respectively. We also observed (2 x 2), (3 x 3), and (4 x 4) Dy surface reconstruction patterns and a series of transitions as the Dy film thickness increases. 12 refs., 3 figs

  6. Experimental study of electronic transport in single molecular contacts and surface modification via STM

    OpenAIRE

    Costa Milán, David

    2016-01-01

    El procesamiento de información usado hoy en día, está basado fundamentalmente en la industria de los semiconductores. Los imanes moleculares están siendo estudiados actualmente como una gran alternativa o complemento a la electrónica de semiconductores por sus grandes aplicaciones en el desarrollo de los sistemas electrónicos, informáticos y en el campo de la biomedicina entre otros, debido a su fácil miniaturización y posibilidad de formar puertas lógicas de tamaños inferiores a 10 nanómetr...

  7. Single-asperity contributions to multi-asperity wear simulated with molecular dynamics

    International Nuclear Information System (INIS)

    Eder, S J; Cihak-Bayr, U; Bianchi, D

    2016-01-01

    We use a molecular dynamics approach to simulate the wear of a rough ferrite surface due to multiple hard, abrasive particles under variation of normal pressure, grinding direction, and particle geometry. By employing a clustering algorithm that incorporates some knowledge about the grinding process such as the main grinding direction, we can break down the total wear volume into contributions from the individual abrasive particles in a time-resolved fashion. The resulting analysis of the simulated grinding process allows statements on wear particle generation, distribution, and stability depending on the initial topography, the grinding angle, the normal pressure, as well as the abrasive shape and orientation with respect to the surface. (paper)

  8. A Single Phase Doubly Grounded Semi-Z-Source Inverter for Photovoltaic (PV Systems with Maximum Power Point Tracking (MPPT

    Directory of Open Access Journals (Sweden)

    Tofael Ahmed

    2014-06-01

    Full Text Available In this paper, a single phase doubly grounded semi-Z-source inverter with maximum power point tracking (MPPT is proposed for photovoltaic (PV systems. This proposed system utilizes a single-ended primary inductor (SEPIC converter as DC-DC converter to implement the MPPT algorithm for tracking the maximum power from a PV array and a single phase semi-Z-source inverter for integrating the PV with AC power utilities. The MPPT controller utilizes a fast-converging algorithm to track the maximum power point (MPP and the semi-Z-source inverter utilizes a nonlinear SPWM to produce sinusoidal voltage at the output. The proposed system is able to track the MPP of PV arrays and produce an AC voltage at its output by utilizing only three switches. Experimental results show that the fast-converging MPPT algorithm has fast tracking response with appreciable MPP efficiency. In addition, the inverter shows the minimization of common mode leakage current with its ground sharing feature and reduction of the THD as well as DC current components at the output during DC-AC conversion.

  9. Analytic and Unambiguous Phase-Based Algorithm for 3-D Localization of a Single Source with Uniform Circular Array

    Directory of Open Access Journals (Sweden)

    Le Zuo

    2018-02-01

    Full Text Available This paper presents an analytic algorithm for estimating three-dimensional (3-D localization of a single source with uniform circular array (UCA interferometers. Fourier transforms are exploited to expand the phase distribution of a single source and the localization problem is reformulated as an equivalent spectrum manipulation problem. The 3-D parameters are decoupled to different spectrums in the Fourier domain. Algebraic relations are established between the 3-D localization parameters and the Fourier spectrums. Fourier sampling theorem ensures that the minimum element number for 3-D localization of a single source with a UCA is five. Accuracy analysis provides mathematical insights into the 3-D localization algorithm that larger number of elements gives higher estimation accuracy. In addition, the phase-based high-order difference invariance (HODI property of a UCA is found and exploited to realize phase range compression. Following phase range compression, ambiguity resolution is addressed by the HODI of a UCA. A major advantage of the algorithm is that the ambiguity resolution and 3-D localization estimation are both analytic and are processed simultaneously, hence computationally efficient. Numerical simulations and experimental results are provided to verify the effectiveness of the proposed 3-D localization algorithm.

  10. Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

    International Nuclear Information System (INIS)

    Krüger, Magnus; Huang, Mao-Dong; Becker-Roß, Helmut; Florek, Stefan; Ott, Ingo; Gust, Ronald

    2012-01-01

    The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of “fluorine as a probe in medicinal chemistry” an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells. - Highlights: ► Development of HR-CS MAS for quantification of fluorine bound to organic molecules ► Measuring as molecular absorption of gallium monofluoride ► Quantification of organic-bound fluorine in biological material ► The concept of “fluorine as a probe in medicinal chemistry” could be established

  11. Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, Magnus [Freie Universitaet Berlin, Institut fuer Pharmazie, Pharmazeutische Chemie, Koenigin-Luise-Str. 2-4, 14195 Berlin (Germany); Huang, Mao-Dong; Becker-Ross, Helmut; Florek, Stefan [Leibniz Institut fuer Analytische Wissenschaften, ISAS-e.V., Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany); Ott, Ingo [Technische Universitaet Carolo Wilhelmina zu Braunschweig, Institut fuer Medizinische und Pharmazeutische Chemie, Beethovenstr. 55, 38106 Braunschweig (Germany); Gust, Ronald, E-mail: ronald.gust@uibk.ac.at [Universitaet Innsbruck, Institut fuer Pharmazie, Pharmazeutische Chemie, Innrain 80/82, 6020 Innsbruck (Austria)

    2012-03-15

    The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of 'fluorine as a probe in medicinal chemistry' an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells. - Highlights: Black-Right-Pointing-Pointer Development of HR-CS MAS for quantification of fluorine bound to organic molecules Black-Right-Pointing-Pointer Measuring as molecular absorption of gallium monofluoride Black-Right-Pointing-Pointer Quantification of organic-bound fluorine in biological material Black-Right-Pointing-Pointer The concept of 'fluorine as a probe in medicinal chemistry' could be established.

  12. Synthesis of a molecularly defined single-active site heterogeneous catalyst for selective oxidation of N-heterocycles.

    Science.gov (United States)

    Zhang, Yujing; Pang, Shaofeng; Wei, Zhihong; Jiao, Haijun; Dai, Xingchao; Wang, Hongli; Shi, Feng

    2018-04-13

    Generally, a homogeneous catalyst exhibits good activity and defined active sites but it is difficult to recycle. Meanwhile, a heterogeneous catalyst can easily be reused but its active site is difficult to reveal. It is interesting to bridge the gap between homogeneous and heterogeneous catalysis via controllable construction of a heterogeneous catalyst containing defined active sites. Here, we report that a molecularly defined, single-active site heterogeneous catalyst has been designed and prepared via the oxidative polymerization of maleimide derivatives. These polymaleimide derivatives can be active catalysts for the selective oxidation of heterocyclic compounds to quinoline and indole via the recycling of -C=O and -C-OH groups, which was confirmed by tracing the reaction with GC-MS using maleimide as the catalyst and by FT-IR analysis with polymaleimide as the catalyst. These results might promote the development of heterogeneous catalysts with molecularly defined single active sites exhibiting a comparable activity to homogeneous catalysts.

  13. Molecular perspective on diazonium adsorption for controllable functionalization of single-walled carbon nanotubes in aqueous surfactant solutions.

    Science.gov (United States)

    Lin, Shangchao; Hilmer, Andrew J; Mendenhall, Jonathan D; Strano, Michael S; Blankschtein, Daniel

    2012-05-16

    Functionalization of single-walled carbon nanotubes (SWCNTs) using diazonium salts allows modification of their optical and electronic properties for a variety of applications, ranging from drug-delivery vehicles to molecular sensors. However, control of the functionalization process remains a challenge, requiring molecular-level understanding of the adsorption of diazonium ions onto heterogeneous, charge-mobile SWCNT surfaces, which are typically decorated with surfactants. In this paper, we combine molecular dynamics (MD) simulations, experiments, and equilibrium reaction modeling to understand and model the extent of diazonium functionalization of SWCNTs coated with various surfactants (sodium cholate, sodium dodecyl sulfate, and cetyl trimethylammonium bromide). We show that the free energy of diazonium adsorption, determined using simulations, can be used to rank surfactants in terms of the extent of functionalization attained following their adsorption on the nanotube surface. The difference in binding affinities between linear and rigid surfactants is attributed to the synergistic binding of the diazonium ion to the local "hot/cold spots" formed by the charged surfactant heads. A combined simulation-modeling framework is developed to provide guidance for controlling the various sensitive experimental conditions needed to achieve the desired extent of SWCNT functionalization.

  14. Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method.

    Science.gov (United States)

    König, Gerhard; Mei, Ye; Pickard, Frank C; Simmonett, Andrew C; Miller, Benjamin T; Herbert, John M; Woodcock, H Lee; Brooks, Bernard R; Shao, Yihan

    2016-01-12

    A recently developed MESS-E-QM/MM method (multiple-environment single-system quantum mechanical molecular/mechanical calculations with a Roothaan-step extrapolation) is applied to the computation of hydration free energies for the blind SAMPL4 test set and for 12 small molecules. First, free energy simulations are performed with a classical molecular mechanics force field using fixed-geometry solute molecules and explicit TIP3P solvent, and then the non-Boltzmann-Bennett method is employed to compute the QM/MM correction (QM/MM-NBB) to the molecular mechanical hydration free energies. For the SAMPL4 set, MESS-E-QM/MM-NBB corrections to the hydration free energy can be obtained 2 or 3 orders of magnitude faster than fully converged QM/MM-NBB corrections, and, on average, the hydration free energies predicted with MESS-E-QM/MM-NBB fall within 0.10-0.20 kcal/mol of full-converged QM/MM-NBB results. Out of five density functionals (BLYP, B3LYP, PBE0, M06-2X, and ωB97X-D), the BLYP functional is found to be most compatible with the TIP3P solvent model and yields the most accurate hydration free energies against experimental values for solute molecules included in this study.

  15. Sources of variability in OSL dose measurements using single grains of quartz

    DEFF Research Database (Denmark)

    Thomsen, Kristina Jørkov; Murray, A.S.; Bøtter-Jensen, L.

    2005-01-01

    spread. In this preliminary study, dose distributions have been studied using single grains of heated and laboratory irradiated quartz. By heating the sample, the contribution from incomplete zeroing was excluded and at the same time the sample was sensitised. The laboratory gamma irradiation...

  16. Fundamental limitations in spontaneous emission rate of single-photon sources

    DEFF Research Database (Denmark)

    Bozhevolnyi, Sergey I.; Khurgin, Jacob B.

    2016-01-01

    The rate of single-photon generation by quantum emitters (QEs) can be enhanced by placing a QE inside a resonant structure. This structure can represent an all-dielectric micro-resonator or waveguide and thus be characterized by ultra-low loss and dimensions on the order of wavelength. Or it can ...

  17. Quantum dot-micropillars: a bright source of coherent single photons

    DEFF Research Database (Denmark)

    Unsleber, Sebastian; He, Yu-Ming; Maier, Sebastian

    2016-01-01

    We present the efficient generation of coherent single photons based on quantum dots in micropillars. We utilize a scalable lithography scheme leading to quantum dot-micropillar devices with 74% extraction efficiency. Via pulsed strict resonant pumping, we show an indistinguishability of consecut...

  18. Long-term monitoring of molecular markers can distinguish different seasonal patterns of fecal indicating bacteria sources.

    Science.gov (United States)

    Riedel, Timothy E; Thulsiraj, Vanessa; Zimmer-Faust, Amity G; Dagit, Rosi; Krug, Jenna; Hanley, Kaitlyn T; Adamek, Krista; Ebentier, Darcy L; Torres, Robert; Cobian, Uriel; Peterson, Sophie; Jay, Jennifer A

    2015-03-15

    Elevated levels of fecal indicator bacteria (FIB) have been observed at Topanga Beach, CA, USA. To identify the FIB sources, a microbial source tracking study using a dog-, a gull- and two human-associated molecular markers was conducted at 10 sites over 21 months. Historical data suggest that episodic discharge from the lagoon at the mouth of Topanga Creek is the main source of bacteria to the beach. A decline in creek FIB/markers downstream from upper watershed development and a sharp increase in FIB/markers at the lagoon sites suggest sources are local to the lagoon. At the lagoon and beach, human markers are detected sporadically, dog marker peaks in abundance mid-winter, and gull marker is chronically elevated. Varied seasonal patterns of FIB and source markers were identified showing the importance of applying a suite of markers over long-term spatial and temporal sampling to identify a complex combination of sources of contamination. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Controlling single and few-layer graphene crystals growth in a solid carbon source based chemical vapor deposition

    International Nuclear Information System (INIS)

    Papon, Remi; Sharma, Subash; Shinde, Sachin M.; Vishwakarma, Riteshkumar; Tanemura, Masaki; Kalita, Golap

    2014-01-01

    Here, we reveal the growth process of single and few-layer graphene crystals in the solid carbon source based chemical vapor deposition (CVD) technique. Nucleation and growth of graphene crystals on a polycrystalline Cu foil are significantly affected by the injection of carbon atoms with pyrolysis rate of the carbon source. We observe micron length ribbons like growth front as well as saturated growth edges of graphene crystals depending on growth conditions. Controlling the pyrolysis rate of carbon source, monolayer and few-layer crystals and corresponding continuous films are obtained. In a controlled process, we observed growth of large monolayer graphene crystals, which interconnect and merge together to form a continuous film. On the other hand, adlayer growth is observed with an increased pyrolysis rate, resulting few-layer graphene crystal structure and merged continuous film. The understanding of monolayer and few-layer crystals growth in the developed CVD process can be significant to grow graphene with controlled layer numbers.

  20. High temperature electron beam ion source for the production of single charge ions of most elements of the Periodic Table

    CERN Document Server

    Panteleev, V N; Barzakh, A E; Fedorov, D V; Ivanov, V S; Moroz, F V; Orlov, S Y; Seliverstov, D M; Stroe, L; Tecchio, L B; Volkov, Y M

    2003-01-01

    A new type of a high temperature electron beam ion source (HTEBIS) with a working temperature up to 2500 deg. C was developed for production of single charge ions of practically all elements. Off-line tests and on-line experiments making use of the developed ion source coupled with uranium carbide targets of different density, have been carried out. The ionization efficiency measured for stable atoms of many elements varied in the interval of 1-6%. Using the HTEBIS, the yields and on-line production efficiency of neutron rich isotopes of Mn, Fe, Co, Cu, Rh, Pd, Ag, Cd, In, Sn and isotopes of heavy elements Pb, Bi, Po and some others have been determined. The revealed confinement effect of the ions produced in the narrow electron beam inside a hot ion source cavity has been discussed.

  1. Molten Fluoride Salts as Fluorine Source in the Production of Molecular Sidebands

    CERN Document Server

    Shoaib, Maryam

    2015-01-01

    The medically important isotopes Yttrium and Zirconium were selected for fluorination. After this, 30 $\\mu$g of NaF as fluorine source was put in mass marker in the target unit. It was heated and plasma ion source was used to ionize the vapors. The ion source efficiency was 27\\%. It was observed that the yield for fluorine was not enough for various mass marker temperatures (0 A - 40 A) and ion source temperatures (2000 $^{o}$C - 2150$^{o}$C) to be reacted with other elements. The optimum temperatures of mass marker was observed here as 35 A. The project can be proceeded for further high temperatures and for different fluorine sources.

  2. Search for continuous and single day emission from ultra-high-energy sources

    International Nuclear Information System (INIS)

    Chen, Mei-Li.

    1993-01-01

    Data from the CYGNUS experiment has been used to search the northern sky for point sources of continuous ultra-high-energy gamma radiation and to examine 51 candidate sources on a daily basis to search for episodic emission. In this paper, we make use of our most recent data to update our previously published results from these searches. The data sample is approximately twice as large as the published data set for continuous emission, and contains an additional year for the daily search. The latest results, up to the time of the conference, will be presented at the meeting

  3. Feasibility of high-resolution continuum source molecular absorption spectrometry in flame and furnace for sulphur determination in petroleum products

    Science.gov (United States)

    Kowalewska, Zofia

    2011-07-01

    For the first time, high-resolution molecular absorption spectrometry with a high-intensity xenon lamp as radiation source has been applied for the determination of sulphur in crude oil and petroleum products. The samples were analysed as xylene solutions using vaporisation in acetylene-air flame or in an electrothermally heated graphite furnace. The sensitive rotational lines of the CS molecule, belonging to the ∆ν = 0 vibrational sequence within the electronic transition X 1∑ + → A 1П, were applied. For graphite furnace molecular absorption spectrometry, the Pd + Mg organic modifier was selected. Strong interactions with Pd atoms enable easier decomposition of sulphur-containing compounds, likely through the temporal formation of Pd xS y molecules. At the 258.056 nm line, with the wavelength range covering central pixel ± 5 pixels and with application of interactive background correction, the detection limit was 14 ng in graphite furnace molecular absorption spectrometry and 18 mg kg -1 in flame molecular absorption spectrometry. Meanwhile, application of 2-points background correction found a characteristic mass of 12 ng in graphite furnace molecular absorption spectrometry and a characteristic concentration of 104 mg kg -1 in flame molecular absorption spectrometry. The range of application of the proposed methods turned out to be significantly limited by the properties of the sulphur compounds of interest. In the case of volatile sulphur compounds, which can be present in light petroleum products, severe difficulties were encountered. On the contrary, heavy oils and residues from distillation as well as crude oil could be analysed using both flame and graphite furnace vaporisation. The good accuracy of the proposed methods for these samples was confirmed by their mutual consistency and the results from analysis of reference samples (certified reference materials and home reference materials with sulphur content determined by X-ray fluorescence

  4. Feasibility of high-resolution continuum source molecular absorption spectrometry in flame and furnace for sulphur determination in petroleum products

    Energy Technology Data Exchange (ETDEWEB)

    Kowalewska, Zofia, E-mail: zofia.kowalewska@obr.pl

    2011-07-15

    For the first time, high-resolution molecular absorption spectrometry with a high-intensity xenon lamp as radiation source has been applied for the determination of sulphur in crude oil and petroleum products. The samples were analysed as xylene solutions using vaporisation in acetylene-air flame or in an electrothermally heated graphite furnace. The sensitive rotational lines of the CS molecule, belonging to the {Delta}{nu} = 0 vibrational sequence within the electronic transition X{sup 1}{Sigma}{sup +} {yields} A{sup 1}{Pi}, were applied. For graphite furnace molecular absorption spectrometry, the Pd + Mg organic modifier was selected. Strong interactions with Pd atoms enable easier decomposition of sulphur-containing compounds, likely through the temporal formation of Pd{sub x}S{sub y} molecules. At the 258.056 nm line, with the wavelength range covering central pixel {+-} 5 pixels and with application of interactive background correction, the detection limit was 14 ng in graphite furnace molecular absorption spectrometry and 18 mg kg{sup -1} in flame molecular absorption spectrometry. Meanwhile, application of 2-points background correction found a characteristic mass of 12 ng in graphite furnace molecular absorption spectrometry and a characteristic concentration of 104 mg kg{sup -1} in flame molecular absorption spectrometry. The range of application of the proposed methods turned out to be significantly limited by the properties of the sulphur compounds of interest. In the case of volatile sulphur compounds, which can be present in light petroleum products, severe difficulties were encountered. On the contrary, heavy oils and residues from distillation as well as crude oil could be analysed using both flame and graphite furnace vaporisation. The good accuracy of the proposed methods for these samples was confirmed by their mutual consistency and the results from analysis of reference samples (certified reference materials and home reference materials with

  5. Sources

    International Nuclear Information System (INIS)

    Duffy, L.P.

    1991-01-01

    This paper discusses the sources of radiation in the narrow perspective of radioactivity and the even narrow perspective of those sources that concern environmental management and restoration activities at DOE facilities, as well as a few related sources. Sources of irritation, Sources of inflammatory jingoism, and Sources of information. First, the sources of irritation fall into three categories: No reliable scientific ombudsman to speak without bias and prejudice for the public good, Technical jargon with unclear definitions exists within the radioactive nomenclature, and Scientific community keeps a low-profile with regard to public information. The next area of personal concern are the sources of inflammation. This include such things as: Plutonium being described as the most dangerous substance known to man, The amount of plutonium required to make a bomb, Talk of transuranic waste containing plutonium and its health affects, TMI-2 and Chernobyl being described as Siamese twins, Inadequate information on low-level disposal sites and current regulatory requirements under 10 CFR 61, Enhanced engineered waste disposal not being presented to the public accurately. Numerous sources of disinformation regarding low level radiation high-level radiation, Elusive nature of the scientific community, The Federal and State Health Agencies resources to address comparative risk, and Regulatory agencies speaking out without the support of the scientific community

  6. Photocatalytic applications of Cr{sub 2}S{sub 3} synthesized from single and multi-source precursors

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, Wajid [Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad (Pakistan); Badshah, Amin, E-mail: aminbadshah@qau.edu.pk [Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad (Pakistan); Hussain, Raja Azadar; Imtiaz-ud-Din [Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad (Pakistan); Aleem, Muhammad Adeel [The Pakistan Institute of Engineering and Applied Sciences (PIEAS) (Pakistan); Bahadur, Ali [Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad (Pakistan); Iqbal, Shahid [School of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing, 100049 (China); Farooq, Muhammad Umar; Ali, Hassan [Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad (Pakistan)

    2017-06-15

    Most of the material research work is pertinent to the synthesis of transition-metal sulfides nanoparticles but here the studies are limited to the synthesis of chromium sulfide. However, the preparation method, presented in this work, may be extended to other metal chalcogenides nanoparticles for various potential applications. The ligand (precursor), 1-(2-chloro-4-nitrophenyl)-3,3-chlorobenzoyl and Cr{sub 2}S{sub 3} have been synthesized initially from single source precursor and then from multi source precursors. The target was to alter the morphologies of nanomaterial while altering the synthetic route and that was successfully achieved. Chromium sulfide nano-rods were synthesized using single source precursors while nanoparticles were fabricated using multi source precursors. Characterization were carried out through {sup 1}H and {sup 13}C NMR, scanning electron microscopy (SEM), transmission electron microscopy (TEM), powder X-ray diffraction microscopy (PXRD), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron microscopy (HRTEM). Our objective is to change the morphologies by changing the synthetic route so that is why further applications were done only for multi-source product, denying single source product. The metal sulfides nanoparticles exhibit higher activity than their bulk material for the photocatalytic degradation of organic dyes under visible-light irradiation. So, photocatalytic activity was successfully achieved under direct sunlight against five different cationic and anionic organic dyes including malachite green (MG), methylene blue (MB), rhodamine B (RhB), methyl violet (MV) and methyl orange (MO). These organic dyes MV, MG, MB, and RB were almost diminished or decolorized by Cr{sub 2}S{sub 3} within 110, 90, 100, and 130, minutes, respectively expect MO. - Highlights: • Synthesis of Cr{sub 2}S{sub 3} from single and multisource precursors is

  7. Luminescence-induced noise in single photon sources based on BBO crystals

    Czech Academy of Sciences Publication Activity Database

    Machulka, R.; Lemr, Karel; Haderka, Ondřej; Lamperti, M.; Allevi, A.; Bondani, M.

    2014-01-01

    Roč. 47, č. 21 (2014), s. 215501 ISSN 0953-4075 R&D Projects: GA ČR GAP205/12/0382 Institutional support: RVO:68378271 Keywords : luminescence * BBO crystal * photon source * noise * streak camera Subject RIV: BH - Optics , Masers, Lasers Impact factor: 1.975, year: 2014

  8. Quantum-tomographic cryptography with a semiconductor single-photon source

    International Nuclear Information System (INIS)

    Kaszlikowski, D.; Yang, L.J.; Yong, L.S.; Willeboordse, F.H.; Kwek, L.C.

    2005-01-01

    We analyze the security of so-called quantum-tomographic cryptography with the source producing entangled photons via an experimental scheme proposed by Fattal et al. [Phys. Rev. Lett. 92, 37903 (2004)]. We determine the range of the experimental parameters for which the protocol is secure against the most general incoherent attacks

  9. Single-Use Energy Sources and Operating Room Time for Laparoscopic Hysterectomy: A Randomized Controlled Trial.

    Science.gov (United States)

    Holloran-Schwartz, M Brigid; Gavard, Jeffrey A; Martin, Jared C; Blaskiewicz, Robert J; Yeung, Patrick P

    2016-01-01

    To compare the intraoperative direct costs of a single-use energy device with reusable energy devices during laparoscopic hysterectomy. A randomized controlled trial (Canadian Task Force Classification I). An academic hospital. Forty-six women who underwent laparoscopic hysterectomy from March 2013 to September 2013. Each patient served as her own control. One side of the uterine attachments was desiccated and transected with the single-use device (Ligasure 5-mm Blunt Tip LF1537 with the Force Triad generator). The other side was desiccated and transected with reusable bipolar forceps (RoBi 5 mm), and transected with monopolar scissors using the same Covidien Force Triad generator. The instrument approach used was randomized to the attending physician who was always on the patient's left side. Resident physicians always operated on the patient's right side and used the converse instruments of the attending physician. Start time was recorded at the utero-ovarian pedicle and end time was recorded after transection of the uterine artery on the same side. Costs included the single-use device; amortized costs of the generator, reusable instruments, and cords; cleaning and packaging of reusable instruments; and disposal of the single-use device. Operating room time was $94.14/min. We estimated that our single use-device cost $630.14 and had a total time savings of 6.7 min per case, or 3.35 min per side, which could justify the expense of the device. The single-use energy device had significant median time savings (-4.7 min per side, p energy device that both desiccates and cuts significantly reduced operating room time to justify its own cost, and it also reduced total intraoperative direct costs during laparoscopic hysterectomy in our institution. Operating room cost per minute varies between institutions and must be considered before generalizing our results. Copyright © 2016 AAGL. Published by Elsevier Inc. All rights reserved.

  10. 78 FR 27240 - Announcing the Award of a New Single-Source Award to the National Council on Family Violence in...

    Science.gov (United States)

    2013-05-09

    ....095] Announcing the Award of a New Single-Source Award to the National Council on Family Violence in... single-source cooperative agreement to the National Council on Family Violence to support the National Domestic Violence Hotline (Hotline). SUMMARY: The Administration for Children and Families (ACF...

  11. Clinical and molecular characterization of 112 single-center patients with Neurofibromatosis type 1.

    Science.gov (United States)

    Corsello, Giovanni; Antona, Vincenzo; Serra, Gregorio; Zara, Federico; Giambrone, Clara; Lagalla, Luca; Piccione, Maria; Piro, Ettore

    2018-04-04

    The aim of this retrospective study was to define clinical and molecular characteristics of a large sample of neurofibromatosis type 1 (NF1) patients, as well as to evaluate mutational spectrum and genotype-phenotype correlation. NF1 is a relatively common neurogenetic disorder (1:2500-1:3000 individuals). It is caused by mutations of the NF1 gene on chromosome 17ql1.2, with autosomal dominant pattern of inheritance and wide phenotypical variability. Café-au-lait spots (CALs), cutaneous and/or subcutaneous neurofibromas (CNFs/SCNFs), skinfold freckling, skeletal abnormalities, Lisch nodules of the iris and increased risk of learning and intellectual disabilities, as well as tumors of the nervous system and other organs are its main clinical features. The preliminary group collected 168 subjects with clinical suspicion of NF1. They were evaluated following the National Institutes of Health (NIH) criteria for NF1, revised by Gutmann et al. 1997, integrated for 67 of them by molecular testing. According to these references, 112 of 168 patients were diagnosed as NF1. The sample was characterized by an equal sex ratio (57 males, 55 females) and age distribution ranging from 10 days to 60 years of age (mean age, 13 years). A wide spectrum of clinical features has been observed in our patients. Mutational analysis resulted positive in 51 cases (76%). Twenty-four mutations detected in our cohort have not been reported to date. This study may contribute to a better definition of genotypic and phenotypic features of NF1 patients, with respect to further insights into the clinical characterization of the disease. In addition, an amplification of the spectrum of mutations in the NF1 gene has been documented.

  12. Molecular identification of broomrape species from a single seed by High Resolution Melting analysis

    Directory of Open Access Journals (Sweden)

    Mathieu Rolland

    2016-12-01

    Full Text Available Broomrapes are holoparasitic plants spreading through seeds. Each plant produces hundreds of thousands of seeds which remain viable in the soils for decades. To limit their spread, drastic measures are being taken and the contamination of a commercial seed lot by a single broomrape seed can lead to its rejection. Considering that broomrapes species identification from a single seed is extremely difficult even for trained botanists and that among all the described species, only a few are really noxious for the crops, numerous seed lots are rejected because of the contamination by seeds of non-noxious broomrape species. The aim of this study was to develop and evaluate a High Resolution Melting assay identifying the eight most noxious and common broomrape species (P. aegyptiaca, O. cernua, O. crenata, O. cumana, O. foetida, O. hederae, O. minor, and P. ramosa from a single seed. Based on trnL and rbcL plastidial genes amplification, the designed assay successfully identifies O. cumana, O. cernua, O. crenata, O. minor, O. hederae, and O. foetida; P. ramosa and P. aegyptiaca can be differentiated from other species but not from each other. Tested on 50 seed lots, obtained results perfectly matched identifications performed by sequencing. Through the analysis of common seed lots by different analysts, the reproducibility of the assay was evaluated at 90 %. Despite an original sample preparation process it was not possible to extract enough DNA from some seeds (10% of the samples. The described assay fulfils its objectives and allows an accurate identification of the targeted broomrape species. It can be used to identify contaminants in commercial seed lots or for any other purpose. The assay might be extended to vegetative material.

  13. Optical dating of single sand-sized grains of quartz: Sources of variability

    DEFF Research Database (Denmark)

    Duller, G.A.T.; Bøtter-Jensen, L.; Murray, A.S.

    2000-01-01

    of measuring single grains it is feasible to routinely measure the equivalent dose from many hundreds of grains from each sample. Analysis of such datasets requires assessment of the uncertainties on each equivalent dose since these may vary significantly. This paper assesses the significance of signal...... intensity, dose saturation characteristics and instrument uncertainty in equivalent dose calculation. (C) 2000 Elsevier Science Ltd. All rights reserved....

  14. QuantifyMe: An Open-Source Automated Single-Case Experimental Design Platform †

    Science.gov (United States)

    Sano, Akane; Ferguson, Craig; Mohan, Akshay; Picard, Rosalind W.

    2018-01-01

    Smartphones and wearable sensors have enabled unprecedented data collection, with many products now providing feedback to users about recommended step counts or sleep durations. However, these recommendations do not provide personalized insights that have been shown to be best suited for a specific individual. A scientific way to find individualized recommendations and causal links is to conduct experiments using single-case experimental design; however, properly designed single-case experiments are not easy to conduct on oneself. We designed, developed, and evaluated a novel platform, QuantifyMe, for novice self-experimenters to conduct proper-methodology single-case self-experiments in an automated and scientific manner using their smartphones. We provide software for the platform that we used (available for free on GitHub), which provides the methodological elements to run many kinds of customized studies. In this work, we evaluate its use with four different kinds of personalized investigations, examining how variables such as sleep duration and regularity, activity, and leisure time affect personal happiness, stress, productivity, and sleep efficiency. We conducted a six-week pilot study (N = 13) to evaluate QuantifyMe. We describe the lessons learned developing the platform and recommendations for its improvement, as well as its potential for enabling personalized insights to be scientifically evaluated in many individuals, reducing the high administrative cost for advancing human health and wellbeing. PMID:29621133

  15. QuantifyMe: An Open-Source Automated Single-Case Experimental Design Platform

    Directory of Open Access Journals (Sweden)

    Sara Taylor

    2018-04-01

    Full Text Available Smartphones and wearable sensors have enabled unprecedented data collection, with many products now providing feedback to users about recommended step counts or sleep durations. However, these recommendations do not provide personalized insights that have been shown to be best suited for a specific individual. A scientific way to find individualized recommendations and causal links is to conduct experiments using single-case experimental design; however, properly designed single-case experiments are not easy to conduct on oneself. We designed, developed, and evaluated a novel platform, QuantifyMe, for novice self-experimenters to conduct proper-methodology single-case self-experiments in an automated and scientific manner using their smartphones. We provide software for the platform that we used (available for free on GitHub, which provides the methodological elements to run many kinds of customized studies. In this work, we evaluate its use with four different kinds of personalized investigations, examining how variables such as sleep duration and regularity, activity, and leisure time affect personal happiness, stress, productivity, and sleep efficiency. We conducted a six-week pilot study (N = 13 to evaluate QuantifyMe. We describe the lessons learned developing the platform and recommendations for its improvement, as well as its potential for enabling personalized insights to be scientifically evaluated in many individuals, reducing the high administrative cost for advancing human health and wellbeing.

  16. QuantifyMe: An Open-Source Automated Single-Case Experimental Design Platform.

    Science.gov (United States)

    Taylor, Sara; Sano, Akane; Ferguson, Craig; Mohan, Akshay; Picard, Rosalind W

    2018-04-05

    Smartphones and wearable sensors have enabled unprecedented data collection, with many products now providing feedback to users about recommended step counts or sleep durations. However, these recommendations do not provide personalized insights that have been shown to be best suited for a specific individual. A scientific way to find individualized recommendations and causal links is to conduct experiments using single-case experimental design; however, properly designed single-case experiments are not easy to conduct on oneself. We designed, developed, and evaluated a novel platform, QuantifyMe, for novice self-experimenters to conduct proper-methodology single-case self-experiments in an automated and scientific manner using their smartphones. We provide software for the platform that we used (available for free on GitHub), which provides the methodological elements to run many kinds of customized studies. In this work, we evaluate its use with four different kinds of personalized investigations, examining how variables such as sleep duration and regularity, activity, and leisure time affect personal happiness, stress, productivity, and sleep efficiency. We conducted a six-week pilot study ( N = 13) to evaluate QuantifyMe. We describe the lessons learned developing the platform and recommendations for its improvement, as well as its potential for enabling personalized insights to be scientifically evaluated in many individuals, reducing the high administrative cost for advancing human health and wellbeing.

  17. Raman spectroscopy and single-photon source in an ion-cavity system

    International Nuclear Information System (INIS)

    Goncalves de Barros, H.

    2010-01-01

    The work presented in this thesis explores the interaction between a single trapped 40Ca+ ion and the electromagnetic field inside a high-finesse optical cavity. The coupling takes place via the use of a vacuum stimulated Raman transition, which transfers atomic population from the S1/2 to the D3/2 manifolds of the calcium ion producing a photon in the cavity. This photon is measured and properties of the system are evaluated. Spectroscopy measurements of the Raman transitions are performed and all possible transitions are identified for different polarizations of both drive laser and cavity fields. The system is also used to deterministically produce single photons. Simulation curves quantitatively match the experimental results within calibration error bars. The single-photon creation efficiency obtained in this work overcomes previous ion-cavity setups and is comparable to state-of-the-art systems composed of a neutral atom and a cavity operating in the strong coupling regime. (author)

  18. A ROTATING MOLECULAR DISK TOWARD IRAS 18162-2048, THE EXCITING SOURCE OF HH 80-81

    International Nuclear Information System (INIS)

    Fernandez-Lopez, M.; Curiel, S.; Girart, J. M.; Gomez, Y.; Ho, P. T. P.; Patel, N.

    2011-01-01

    We present several molecular line emission arcsecond and subarcsecond observations obtained with the Submillimeter Array in the direction of the massive protostar IRAS 18162-2048, the exciting source of HH 80-81. The data clearly indicate the presence of a compact (radius ∼425-850 AU) SO 2 structure, enveloping the more compact (radius ∼ sun . The SO 2 spectral line data also allow us to constrain the structure temperature between 120 and 160 K and the volume density ∼> 2 x 10 9 cm -3 . We also find that such a rotating flattened system could be unstable due to gravitational disturbances. The data from C 17 O line emission show a dense core within this star-forming region. Additionally, the H 2 CO and SO emissions appear clumpy and trace the disk-like structure, a possible interaction between a molecular core and the outflows, and in part, the cavity walls excavated by the thermal radio jet.

  19. Crucial role of molecular planarity on the second order nonlinear optical property of pyridine based chalcone single crystals

    Science.gov (United States)

    Menezes, Anthoni Praveen; Jayarama, A.; Ng, Seik Weng

    2015-05-01

    An efficient nonlinear optical material 2E-3-(4-bromophenyl)-1-(pyridin-3-yl) prop-2-en-1-one (BPP) was synthesized and single crystals were grown using slow evaporation solution growth technique at room temperature. Grown crystal had prismatic morphology and its structure was confirmed by various spectroscopic studies, elemental analysis, and single crystal X-ray diffraction (XRD) technique. The single crystal XRD of the crystal showed that BPP crystallizes in monoclinic system with noncentrosymmetric space group P21 and the cell parameters are a = 5.6428(7) Å, b = 3.8637(6) Å, c = 26.411(2) Å, β = 97.568(11) deg and v = 575.82(12) Å3. The UV-Visible spectrum reveals that the crystal is optically transparent and has high optical energy band gap of 3.1 eV. The powder second harmonic generation efficiency (SHG) of BPP is 6.8 times that of KDP. From thermal analysis it is found that the crystal melts at 139 °C and decomposes at 264 °C. High optical transparency down to blue region, higher powder SHG efficiency and better thermal stability than that of urea makes this chalcone derivative a promising candidate for SHG applications. Furthermore, effect of molecular planarity on SHG efficiency and role of pyridine ring adjacent to carbonyl group in forming noncentrosymmetric crystal systems of chalcone family is also discussed.

  20. EPR and optical absorption studies of paramagnetic molecular ion (VO2+) in Lithium Sodium Acid Phthalate single crystal

    Science.gov (United States)

    Subbulakshmi, N.; Kumar, M. Saravana; Sheela, K. Juliet; Krishnan, S. Radha; Shanmugam, V. M.; Subramanian, P.

    2017-12-01

    Electron Paramagnetic Resonance (EPR) spectroscopic studies of VO2+ ions as paramagnetic impurity in Lithium Sodium Acid Phthalate (LiNaP) single crystal have been done at room temperature on X-Band microwave frequency. The lattice parameter values are obtained for the chosen system from Single crystal X-ray diffraction study. Among the number of hyperfine lines in the EPR spectra only two sets are reported from EPR data. The principal values of g and A tensors are evaluated for the two different VO2+ sites I and II. They possess the crystalline field around the VO2+ as orthorhombic. Site II VO2+ ion is identified as substitutional in place of Na1 location and the other site I is identified as interstitial location. For both sites in LiNaP, VO2+ are identified in octahedral coordination with tetragonal distortion as seen from the spin Hamiltonian parameter values. The ground state of vanadyl ion in the LiNaP single crystal is dxy. Using optical absorption data the octahedral and tetragonal parameters are calculated. By correlating EPR and optical data, the molecular orbital bonding parameters have been discussed for both sites.

  1. Single-particle and collective properties around closed shells probed by in-source laser spectroscopy

    CERN Document Server

    Cocolios, Thomas Elias; Van Duppen, P

    2010-01-01

    Resonant laser ionisation is a very versatile tool in nuclear physics, used for the production of clean radioactive ion beams as well as for the study of ground-state and isomer properties. In this Ph.D. work, many aspects of resonant laser ionisation are investigated, from improving the performance of laser ion sources at ISOL facilities to the measurement of magnetic dipole moments and charge radii. The LISOL gas catcher ion source relies on resonant laser ionisation for increased efficiency and selectivity. Using a $^{252}$Cf fission source, the element dependence of the non-resonant contribution to the ion beam has been investigated. The efficiency of extraction for a non-laser-ionised element ranges from 0.03% for krypton to 74% for ceasium. A relationship with the ionisation potential is proposed, although a few elements like rubidium and cerium do not verify this relationship. In order to suppress those non-resonantly-ionised elements, two new approaches are proposed. First, the dual-chamber gas catche...

  2. Monitoring of seismic events from a specific source region using a single regional array: A case study

    Science.gov (United States)

    Gibbons, S. J.; Kværna, T.; Ringdal, F.

    2005-07-01

    In the monitoring of earthquakes and nuclear explosions using a sparse worldwide network of seismic stations, it is frequently necessary to make reliable location estimates using a single seismic array. It is also desirable to screen out routine industrial explosions automatically in order that analyst resources are not wasted upon detections which can, with a high level of confidence, be associated with such a source. The Kovdor mine on the Kola Peninsula of NW Russia is the site of frequent industrial blasts which are well recorded by the ARCES regional seismic array at a distance of approximately 300 km. We describe here an automatic procedure for identifying signals which are likely to result from blasts at the Kovdor mine and, wherever possible, for obtaining single array locations for such events. Carefully calibrated processing parameters were chosen using measurements from confirmed events at the mine over a one-year period for which the operators supplied Ground Truth information. Phase arrival times are estimated using an autoregressive method and slowness and azimuth are estimated using broadband f{-} k analysis in fixed frequency bands and time-windows fixed relative to the initial P-onset time. We demonstrate the improvement to slowness estimates resulting from the use of fixed frequency bands. Events can be located using a single array if, in addition to the P-phase, at least one secondary phase is found with both an acceptable slowness estimate and valid onset-time estimate. We evaluate the on-line system over a twelve month period; every event known to have occured at the mine is detected by the process and 32 out of 53 confirmed events were located automatically. The remaining events were classified as “very likely” Kovdor events and were subsequently located by an analyst. The false alarm rate is low; only 84 very likely Kovdor events were identified during the whole of 2003 and none of these were subsequently located at a large distance from

  3. Elucidation of polymer induced DNA condensation. Visualisation at the single molecular level

    International Nuclear Information System (INIS)

    Martin, Alison Laura

    2002-01-01

    DNA condensation is a phenomenon that has stimulated interest from biologists, physicists, and polymer chemists for decades. At the cellular level, this process is key to the packing of DNA within the nuclear envelope, and the exposure of the appropriate nucleic acid sequences in order for transcription to occur, and proteins to be produced. The advent of gene therapy has led to an invigoration of this subject area. In order to successfully deliver to, and transfect target cells, many delivery vectors condense the therapeutic DNA into small compact particles. The nature of these particles have a considerable influence on the ultimate expression of the administered nucleic acid material. In addition, at its most fundamental, DNA itself is a classical polyelectrolyte polymer, the behaviour of which has applicability to other charged polymeric systems. There are two core interwound themes to this investigation; the visualisation of DNA condensate morphology at ultra-resolution, and the elucidation of the mechanisms of formation of these structures. The technique of atomic force microscopy is central to these investigations. Methodologies have been devised allowing the visualisation of the tertiary structure and conformational behaviour of individual DNA condensates in near in situ conditions. Condensation of the nucleic acid material has been induced by two classes of cation; small molecular cations, like those found within eukaryotic cells, and a range of cationic polymers. The cationic polymers investigated all have considerable potential as gene delivery vectors. The resultant DNA condensates have been assessed and contrasted in terms of their tertiary morphology, lateral dimensions, and structural volume. Assessments have also been made regarding the influence of the molecular architecture of the cationic moiety and the nature of the input nucleic acid material on the resultant DNA condensates. With regard to the elucidation of the mechanisms of DNA condensate

  4. Noise-tolerance analysis for detection and reconstruction of absorbing inhomogeneities with diffuse optical tomography using single- and phase-correlated dual-source schemes

    International Nuclear Information System (INIS)

    Kanmani, B; Vasu, R M

    2007-01-01

    An iterative reconstruction procedure is used to invert intensity data from both single- and phase-correlated dual-source illuminations for absorption inhomogeneities. The Jacobian for the dual source is constructed by an algebraic addition of the Jacobians estimated for the two sources separately. By numerical simulations, it is shown that the dual-source scheme performs superior to the single-source system in regard to (i) noise tolerance in data and (ii) ability to reconstruct smaller and lower contrast objects. The quality of reconstructions from single-source data, as indicated by mean-square error at convergence, is markedly poorer compared to their dual-source counterpart, when noise in data was in excess of 2%. With fixed contrast and decreasing inhomogeneity diameter, our simulations showed that, for diameters below 7 mm, the dual-source scheme has a higher percentage contrast recovery compared to the single-source scheme. Similarly, the dual-source scheme reconstructs to a higher percentage contrast recovery from lower contrast inhomogeneity, in comparison to the single-source scheme

  5. Single orientation graphene synthesized on iridium thin films grown by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Dangwal Pandey, A., E-mail: arti.pandey@desy.de; Grånäs, E.; Shayduk, R.; Noei, H.; Vonk, V. [Deutsches Elektronen-Synchrotron (DESY), D-22607 Hamburg (Germany); Krausert, K.; Franz, D.; Müller, P.; Keller, T. F.; Stierle, A., E-mail: andreas.stierle@desy.de [Deutsches Elektronen-Synchrotron (DESY), D-22607 Hamburg (Germany); Fachbereich Physik, Universität Hamburg, D-22607 Hamburg (Germany)

    2016-08-21

    Heteroepitaxial iridium thin films were deposited on (0001) sapphire substrates by means of molecular beam epitaxy, and subsequently, one monolayer of graphene was synthesized by chemical vapor deposition. The influence of the growth parameters on the quality of the Ir films, as well as of graphene, was investigated systematically by means of low energy electron diffraction, x-ray reflectivity, x-ray diffraction, Auger electron spectroscopy, scanning electron microscopy, and atomic force microscopy. Our study reveals (111) oriented iridium films with high crystalline quality and extremely low surface roughness, on which the formation of large-area epitaxial graphene is achieved. The presence of defects, like dislocations, twins, and 30° rotated domains in the iridium films is also discussed. The coverage of graphene was found to be influenced by the presence of 30° rotated domains in the Ir films. Low iridium deposition rates suppress these rotated domains and an almost complete coverage of graphene was obtained. This synthesis route yields inexpensive, air-stable, and large-area graphene with a well-defined orientation, making it accessible to a wider community of researchers for numerous experiments or applications, including those which use destructive analysis techniques or irreversible processes. Moreover, this approach can be used to tune the structural quality of graphene, allowing a systematic study of the influence of defects in various processes like intercalation below graphene.

  6. A molecular phylogeny shows the single origin of the Pyrenean subterranean Trechini ground beetles (Coleoptera: Carabidae).

    Science.gov (United States)

    Faille, A; Ribera, I; Deharveng, L; Bourdeau, C; Garnery, L; Quéinnec, E; Deuve, T

    2010-01-01

    Trechini ground beetles include some of the most spectacular radiations of cave and endogean Coleoptera, but the origin of the subterranean taxa and their typical morphological adaptations (loss of eyes and wings, depigmentation, elongation of body and appendages) have never been studied in a formal phylogenetic framework. We provide here a molecular phylogeny of the Pyrenean subterranean Trechini based on a combination of mitochondrial (cox1, cyb, rrnL, tRNA-Leu, nad1) and nuclear (SSU, LSU) markers of 102 specimens of 90 species. We found all Pyrenean highly modified subterranean taxa to be monophyletic, to the exclusion of all epigean and all subterranean species from other geographical areas (Cantabrian and Iberian mountains, Alps). Within the Pyrenean subterranean clade the three genera (Geotrechus, Aphaenops and Hydraphaenops) were polyphyletic, indicating multiple origins of their special adaptations to different ways of life (endogean, troglobitic or living in deep fissures). Diversification followed a geographical pattern, with two main clades in the western and central-eastern Pyrenees respectively, and several smaller lineages of more restricted range. Based on a Bayesian relaxed-clock approach, and using as an approximation a standard mitochondrial mutation rate of 2.3% MY, we estimate the origin of the subterranean clade at ca. 10 MY. Cladogenetic events in the Pliocene and Pleistocene were almost exclusively within the same geographical area and involving species of the same morphological type.

  7. Sources of variability for the single-comparator method in a heavy-water reactor

    International Nuclear Information System (INIS)

    Damsgaard, E.; Heydorn, K.

    1978-11-01

    The well thermalized flux in the heavy-water-moderated DR 3 reactor at Risoe prompted us to investigate to what extent a single comparator could be used for multi-element determination instead of multiple comparators. The reliability of the single-comparator method is limited by the thermal-to-epithermal ratio, and experiments were designed to determine the variations in this ratio throughout a reactor operating period (4 weeks including a shut-down period of 4-5 days). The bi-isotopic method using zirconium as monitor was chosen, because 94 Zr and 96 Zr exhibit a large difference in their Isub(o)/Σsub(th) values, and would permit determination of the flux ratio with a precision sufficient to determine variations. One of the irradiation facilities comprises a rotating magazine with 3 channels, each of which can hold five aluminium cans. In this rig, five cans, each holding a polyvial with 1 ml of aqueous zirconium solution were irradiated simultaneously in one channel. Irradiations were carried out in the first and the third week of 4 periods. In another facility consisting of a pneumatic tube system, two samples were simultaneously irradiated on top of each other in a polyethylene rabbit. Experiments were carried out once a week for 4 periods. All samples were counted on a Ge(Li)-detector for 95 Zr, 97 sup(m)Nb and 97 Nb. The thermal-to-epithermal flux ratio was calculated from the induced activity, the nuclear data for the two zirconium isotopes and the detector efficiency. By analysis of variance the total variation of the flux ratio was separated into a random variation between reactor periods, and systematic differences between the positions, as well as the weeks in the operating period. If the variations are in statistical control, the error resulting from use of the single-comparator method in multi-element determination can be estimated for any combination of irradiation position and day in the operating period. With the measure flux ratio variations in DR

  8. Near-unity efficiency, single-photon sources based on tapered photonic nanowires

    DEFF Research Database (Denmark)

    Bleuse, Joël; Munsch, Mathieu; Claudon, Julien

    2012-01-01

    Single-photon emission from excitons in InAs Quantum Dots (QD) embedded in GaAs Tapered Photonic Wires (TPW) already demonstrated a 0.72 collection efficiency, with TPWs were the apex is the sharp end of the cone. Going to alternate designs, still based on the idea of the adiabatic deconfinement...... of the quasi-Gaussian emission mode, but with inverted TPW where the apex is the cone's base, leads to even larger efficiencies. In addition, these inverted TPWs make the electric pumping of the emitters compatible with these large efficiencies....

  9. Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

    OpenAIRE

    Shahram Radei; F. Javier Carrión-Fité; Mònica Ardanuy; José María Canal

    2018-01-01

    This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

  10. Growth kinetics and properties of ZnO/ZnMgO heterostructures grown by radical-source molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, S.V. [Institute of Semiconductor Technology, Technical University Braunschweig, Hans-Sommer-Str. 66, 38106 Braunschweig (Germany); Ioffe Physico-Technical Institute, Polytekhnicheskaya Street 26, 194021 St. Petersburg (Russian Federation); El-Shaer, A.; Bakin, A.; Waag, A. [Institute of Semiconductor Technology, Technical University Braunschweig, Hans-Sommer-Str. 66, 38106 Braunschweig (Germany); Shubina, T.V.; Listoshin, S.B. [Ioffe Physico-Technical Institute, Polytekhnicheskaya Street 26, 194021 St. Petersburg (Russian Federation)

    2007-07-01

    A phenomenological approach to quantitative description of Zn(Mg)O growth by radical-source molecular beam epitaxy, based on the experimental studies of RHEED intensity oscillations, has been developed. It allows a precise control of growth rate, composition and stoichiometry at any growth temperature, Along with optimization of a growth initiation procedure on a c-sapphire, it is necessary condition for fabrication of high quality ZnO epilayers and ZnO/ZnMgO heterostructures in a wide Mg composition range. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. sources

    Directory of Open Access Journals (Sweden)

    Shu-Yin Chiang

    2002-01-01

    Full Text Available In this paper, we study the simplified models of the ATM (Asynchronous Transfer Mode multiplexer network with Bernoulli random traffic sources. Based on the model, the performance measures are analyzed by the different output service schemes.

  12. Integration of Single-Photon Sources and Detectors on GaAs

    Directory of Open Access Journals (Sweden)

    Giulia Enrica Digeronimo

    2016-10-01

    Full Text Available Quantum photonic integrated circuits (QPICs on a GaAs platform allow the generation, manipulation, routing, and detection of non-classical states of light, which could pave the way for quantum information processing based on photons. In this article, the prototype of a multi-functional QPIC is presented together with our recent achievements in terms of nanofabrication and integration of each component of the circuit. Photons are generated by excited InAs quantum dots (QDs and routed through ridge waveguides towards photonic crystal cavities acting as filters. The filters with a transmission of 20% and free spectral range ≥66 nm are able to select a single excitonic line out of the complex emission spectra of the QDs. The QD luminescence can be measured by on-chip superconducting single photon detectors made of niobium nitride (NbN nanowires patterned on top of a suspended nanobeam, reaching a device quantum efficiency up to 28%. Moreover, two electrically independent detectors are integrated on top of the same nanobeam, resulting in a very compact autocorrelator for on-chip g(2(τ measurements.

  13. Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination

    OpenAIRE

    Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M.; Stalke, Dietmar

    2015-01-01

    The quality of diffraction data obtained using silver and molybdenum microsources has been compared for six model compounds with a wide range of absorption factors. The experiments were performed on two 30 W air-cooled Incoatec IµS microfocus sources with multilayer optics mounted on a Bruker D8 goniometer with a SMART APEX II CCD detector. All data were analysed, processed and refined using standard Bruker software. The results show that Ag Kα radiation can be beneficial when heavy elements ...

  14. Phonon scattering inhibits simultaneous near-unity efficiency and indistinguishability in semiconductor single-photon sources

    DEFF Research Database (Denmark)

    Iles-Smith, Jake; McCutcheon, Dara P. S.; Nazir, Ahsan

    2017-01-01

    in these systems in giving rise to trade-offs between indistinguishability and efficiency. We analyse the two source architectures most commonly employed: a QD embedded in a waveguide and a QD coupled to an optical cavity. For waveguides, we demonstrate that the broadband Purcell effect results in a simple inverse...... relationship, in which indistinguishability and efficiency cannot be simultaneously increased. For cavities, the frequency selectivity of the Purcell enhancement results in a more subtle trade-off, in which indistinguishability and efficiency can be increased simultaneously, although not arbitrarily, which...

  15. Single Source Applicability Determination for Environmental Wood Supply, LLC and District Energy St. Paul, Inc

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  16. Alcoa Massena Modernization Project and Request for a Single Source Determination

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  17. BP American Production Company's Florida River Compression Facility Single Source Determination

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  18. Single Source Determination for Gallitan Steel Co. and Heckett MultiServ

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  19. PSD Applicability Determination for Multiple Owner/Operator Point Sources Within a Single Facility

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  20. Single Source Evaluation for the Hartford Working Group and Premcor Distribution Center

    Science.gov (United States)

    This document may be of assistance in applying the New Source Review (NSR) air permitting regulations including the Prevention of Significant Deterioration (PSD) requirements. This document is part of the NSR Policy and Guidance Database. Some documents in the database are a scanned or retyped version of a paper photocopy of the original. Although we have taken considerable effort to quality assure the documents, some may contain typographical errors. Contact the office that issued the document if you need a copy of the original.

  1. Complementary metal-oxide semiconductor compatible source of single photons at near-visible wavelengths

    Science.gov (United States)

    Cernansky, Robert; Martini, Francesco; Politi, Alberto

    2018-02-01

    We demonstrate on chip generation of correlated pairs of photons in the near-visible spectrum using a CMOS compatible PECVD Silicon Nitride photonic device. Photons are generated via spontaneous four wave mixing enhanced by a ring resonator with high quality Q-factor of 320,000 resulting in a generation rate of 950,000 $\\frac{pairs}{mW}$. The high brightness of this source offers the opportunity to expand photonic quantum technologies over a broad wavelength range and provides a path to develop fully integrated quantum chips working at room temperature.

  2. A single source precursor route to group 13 homo- and heterometallic oxides as highly active supports for gold-catalyzed aerobic epoxidation of trans-stilbene

    KAUST Repository

    Mishra, Shashank K.; Mendez, Violaine; Jeanneau, Erwann; Caps, Valerie; Daniè le, Sté phane

    2012-01-01

    A new Mitsubishi-type of star-shaped homoleptic derivative of indium(III), In4(mdea)6 (2, mdeaH2 = N-methyldiethanolamine) , was synthesized by the chloro-aminoalkoxo exchange reaction of a heteroleptic complex In6Cl6(mdea)6 (1) and used as a facile single source molecular precursor for the sol-gel preparation of high surface area indium oxide. Successful deposition of gold nanoparticles (1 wt.-%) of average size 3.3 nm on the above metal oxide by using HAuCl4· 3H2O afforded a highly efficient Au/In2O3 catalyst for the aerobic epoxidation of trans-stilbene at low temperature. The above single source precursor approach was further extended to obtain other group 13 homo- and heterometallic oxides, namely, α-Ga2O 3, β-Ga2O3 and Al4Ga 2O9, as highly active supports for gold catalysts. The obtained Au/M2O3 (M = Ga, In) and Au/Al4Ga 2O9 catalysts were thoroughly characterized by using several physicochemical techniques such as XRD, high resolution transmission electron microscopy (HR-TEM), energy-dispersive X-ray (EDX) spectroscopy, and X-ray photoelectron spectroscopy (XPS). A comparative study of the above catalysts for the model aerobic oxidation of stilbene in methylcyclohexane was undertaken. Highly efficient catalysts for aerobic oxidation reactions were obtained by depositing gold nanoparticles on group 13 mono- or mixed metal oxides prepared from the hydrolysis of well-characterized homo- and heterometallic N-methyldiethanolaminate derivatives. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. A single source precursor route to group 13 homo- and heterometallic oxides as highly active supports for gold-catalyzed aerobic epoxidation of trans-stilbene

    KAUST Repository

    Mishra, Shashank K.

    2012-12-14

    A new Mitsubishi-type of star-shaped homoleptic derivative of indium(III), In4(mdea)6 (2, mdeaH2 = N-methyldiethanolamine) , was synthesized by the chloro-aminoalkoxo exchange reaction of a heteroleptic complex In6Cl6(mdea)6 (1) and used as a facile single source molecular precursor for the sol-gel preparation of high surface area indium oxide. Successful deposition of gold nanoparticles (1 wt.-%) of average size 3.3 nm on the above metal oxide by using HAuCl4· 3H2O afforded a highly efficient Au/In2O3 catalyst for the aerobic epoxidation of trans-stilbene at low temperature. The above single source precursor approach was further extended to obtain other group 13 homo- and heterometallic oxides, namely, α-Ga2O 3, β-Ga2O3 and Al4Ga 2O9, as highly active supports for gold catalysts. The obtained Au/M2O3 (M = Ga, In) and Au/Al4Ga 2O9 catalysts were thoroughly characterized by using several physicochemical techniques such as XRD, high resolution transmission electron microscopy (HR-TEM), energy-dispersive X-ray (EDX) spectroscopy, and X-ray photoelectron spectroscopy (XPS). A comparative study of the above catalysts for the model aerobic oxidation of stilbene in methylcyclohexane was undertaken. Highly efficient catalysts for aerobic oxidation reactions were obtained by depositing gold nanoparticles on group 13 mono- or mixed metal oxides prepared from the hydrolysis of well-characterized homo- and heterometallic N-methyldiethanolaminate derivatives. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole

    Science.gov (United States)

    Sarau Devi, A.; Aswathy, V. V.; Sheena Mary, Y.; Yohannan Panicker, C.; Armaković, Stevan; Armaković, Sanja J.; Ravindran, Reena; Van Alsenoy, C.

    2017-11-01

    The vibrational spectra and corresponding vibrational assignments of 2-(3-methoxy-4-hydroxyphenyl)benzothiazole is reported. Single crystal XRD data of the title compound is reported and the orientation of methoxy group is cis to nitrogen atom of the thiazole ring. The phenyl ring breathing modes of the title compound are assigned at 1042 and 731 cm-1 theoretically. The charge transfer within the molecule is studied using frontier molecular orbital analysis. The chemical reactivity descriptors are calculated theoretically. The NMR spectral data predicted theoretically are in good agreement with the experimental data. The strong negative region spread over the phenyl rings, nitrogen atom and oxygen atom of the hydroxyl group in the MEP plot is due to the immense conjugative and hyper conjugative resonance charge delocalization of π-electrons. Molecule sites prone to electrophilic attacks have been determined by analysis of ALIE surfaces, while Fukui functions provided further insight into the local reactivity properties of title molecule. Autoxidation properties have been investigated by calculation of bond dissociation energies (BDEs) of hydrogen abstraction, while BDEs of the rest of the single acyclic bonds were valuable for the further investigation of degradation properties. Calculation of radial distribution functions was performed in order to determine which atoms of the title molecule have pronounced interactions with water molecules. The title compound forms a stable complex with aryl hydrocarbon receptor and can be a lead compound for developing new anti-tumor drug. Antimicrobial properties of the title compound was screened against one bacterial culture Escherchia coli and four fungal cultures viz., Aspergillus niger, Pencillum chrysogenum, Saccharomyces cerevisiae and Rhyzopus stolonifer.

  5. Metrological-grade tunable coherent source in the mid-infrared for molecular precision spectroscopy

    Science.gov (United States)

    Insero, G.; Clivati, C.; D'Ambrosio, D.; Cancio Pastor, P.; Verde, M.; Schunemann, P. G.; Zondy, J.-J.; Inguscio, M.; Calonico, D.; Levi, F.; De Natale, P.; Santambrogio, G.; Borri, S.

    2018-02-01

    We report on a metrological-grade mid-IR source with a 10-14 short-term instability for high-precision spectroscopy. Our source is based on the combination of a quantum cascade laser and a coherent radiation obtained by difference-frequency generation in an orientation-patterned gallium phosphide (OP-GaP) crystal. The pump and signal lasers are locked to an optical frequency comb referenced to the primary frequency standard via an optical fiber link. We demonstrate the robustness of the apparatus by measuring a vibrational transition around 6 μm on a metastable state of CO molecuels with 11 digits of precision.

  6. Nucleation of single GaN nanorods with diameters smaller than 35 nm by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Chen, Yen-Ting; Araki, Tsutomu; Palisaitis, Justinas; Persson, Per O. Å.; Olof Holtz, Per; Birch, Jens; Chen, Li-Chyong; Chen, Kuei-Hsien; Nanishi, Yasushi

    2013-01-01

    Nucleation mechanism of catalyst-free GaN nanorod grown on Si(111) is investigated by the fabrication of uniform and narrow (<35 nm) nanorods without a pre-defined mask by molecular beam epitaxy. Direct evidences show that the nucleation of GaN nanorods stems from the sidewall of the underlying islands down to the Si(111) substrate, different from commonly reported ones on top of the island directly. Accordingly, the growth and density control of the nanorods is exploited by a “narrow-pass” approach that only narrow nanorod can be grown. The optimal size of surrounding non-nucleation area around single nanorod is estimated as 88 nm

  7. Nucleation of single GaN nanorods with diameters smaller than 35 nm by molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yen-Ting [Institute of Atomic and Molecular Sciences, Academia Sinica, 10617 Taipei, Taiwan (China); Department of Physics, Chemistry and Biology (IFM), Linköping University, S-58183 Linköping (Sweden); Araki, Tsutomu [Department of Electrical and Electronic Engineering, Ritsumeikan University, 525-8577 Shiga (Japan); Palisaitis, Justinas; Persson, Per O. Å.; Olof Holtz, Per; Birch, Jens [Department of Physics, Chemistry and Biology (IFM), Linköping University, S-58183 Linköping (Sweden); Chen, Li-Chyong [Center for Condensed Matter Sciences, National Taiwan University, 10617 Taipei, Taiwan (China); Chen, Kuei-Hsien [Institute of Atomic and Molecular Sciences, Academia Sinica, 10617 Taipei, Taiwan (China); Center for Condensed Matter Sciences, National Taiwan University, 10617 Taipei, Taiwan (China); Nanishi, Yasushi [Global Innovation Research Organization, Ritsumeikan University, 525-8577 Shiga (Japan)

    2013-11-11

    Nucleation mechanism of catalyst-free GaN nanorod grown on Si(111) is investigated by the fabrication of uniform and narrow (<35 nm) nanorods without a pre-defined mask by molecular beam epitaxy. Direct evidences show that the nucleation of GaN nanorods stems from the sidewall of the underlying islands down to the Si(111) substrate, different from commonly reported ones on top of the island directly. Accordingly, the growth and density control of the nanorods is exploited by a “narrow-pass” approach that only narrow nanorod can be grown. The optimal size of surrounding non-nucleation area around single nanorod is estimated as 88 nm.

  8. Single-exposure two-dimensional superresolution in digital holography using a vertical cavity surface-emitting laser source array.

    Science.gov (United States)

    Granero, Luis; Zalevsky, Zeev; Micó, Vicente

    2011-04-01

    We present a new implementation capable of producing two-dimensional (2D) superresolution (SR) imaging in a single exposure by aperture synthesis in digital lensless Fourier holography when using angular multiplexing provided by a vertical cavity surface-emitting laser source array. The system performs the recording in a single CCD snapshot of a multiplexed hologram coming from the incoherent addition of multiple subholograms, where each contains information about a different 2D spatial frequency band of the object's spectrum. Thus, a set of nonoverlapping bandpass images of the input object can be recovered by Fourier transformation (FT) of the multiplexed hologram. The SR is obtained by coherent addition of the information contained in each bandpass image while generating an enlarged synthetic aperture. Experimental results demonstrate improvement in resolution and image quality.

  9. Single source precursors for fabrication of I-III-VI{sub 2} thin-film solar cells via spray CVD

    Energy Technology Data Exchange (ETDEWEB)

    Hollingsworth, J.A.; Banger, K.K.; Jin, M.H.-C.; Harris, J.D.; Cowen, J.E.; Bohannan, E.W.; Switzer, J.A.; Buhro, W.E.; Hepp, A.F

    2003-05-01

    The development of thin-film solar cells on flexible, lightweight, space-qualified substrates provides an attractive cost solution to fabricating solar arrays with high specific power (W/kg). Thin-film fabrication studies demonstrate that ternary single source precursors can be used in either a hot, or cold-wall spray chemical vapour deposition reactor, for depositing CuInS{sub 2}, CuGaS{sub 2} and CuGaInS{sub 2} at reduced temperatures (400-450 sign C), which display good electrical and optical properties suitable for photovoltaic devices. X-ray diffraction studies, energy dispersive spectroscopy and scanning electron microscopy confirmed the formation of the single phase CIS, CGS, CIGS thin-films on various substrates at reduced temperatures.

  10. Single crystal EPR determination of the quantum energy level structure for Fe8 molecular clusters

    Science.gov (United States)

    Maccagnano, S.; Hill, S.; Negusse, E.; Lussier, A.; Mola, M. M.; Achey, R.; Dalal, N. S.

    2001-05-01

    Using a high sensitivity resonance cavity technique,^1 we are able to obtain high field/frequency (up to 9 tesla/210 GHz) EPR spectra for oriented single crystals of [Fe_8O_2(OH)_12(tacn)_6]Br_8.9H_2O (or Fe8 for short). Extrapolating the frequency dependence of transitions to zero-field (for any orientation of the field) allows us to directly, and accurately (to within 0.5 percent), determine the first five zero-field splittings, which are in reasonable agreement with recent inelastic neutron studies.^2 The dependence of these splittings on the applied field strength, and its orientation with respect to the crystal, enables us to identify (to within 1^o) the easy, intermediate and hard magnetic axes. Subsequent analysis of EPR spectra for field parallel to the easy axis yields a value of for gz which is appreciably different from the value assumed in a recent high field EPR study by Barra et al.^3 ^1 M.M. Mola, S. Hill, P. Goy, and M. Gross, Rev. Sci. Inst. 71, 186 (2000). ^2 R. Caciuffo, G. Amoretti, R. Sessoli, A. Caneschi, and D. Gatteschi, Phys. Rev. Lett. 81, 4744 (1998). ^3 A. L. Barra, D. Gatteschi, and R. Sessoli, cond?mat/0002386 (Feb, 2000).

  11. Electronic readout of a single nuclear spin using a molecular spin transistor

    Science.gov (United States)

    Vincent, R.; Klyastskaya, S.; Ruben, M.; Wernsdorfer, W.; Balestro, F.

    2012-02-01

    Quantum control of individual spins in condensed matter devices is an emerging field with a wide range of applications ranging from nanospintronics to quantum computing [1,2]. The electron, with its spin and orbital degrees of freedom, is conventionally used as carrier of the quantum information in the devices proposed so far. However, electrons exhibit a strong coupling to the environment leading to reduced relaxation and coherence times. Indeed quantum coherence and stable entanglement of electron spins are extremely difficult to achieve. We propose a new approach using the nuclear spin of an individual metal atom embedded in a single-molecule magnet (SMM). In order to perform the readout of the nuclear spin, the quantum tunneling of the magnetization (QTM) of the magnetic moment of the SMM in a transitor-like set-up is electronically detected. Long spin lifetimes of an individual nuclear spin were observed and the relaxation characteristics were studied. The manipulation of the nuclear spin state of individual atoms embedded in magnetic molecules opens a completely new world, where quantum logic may be integrated.[4pt] [1] L. Bogani, W. Wernsdorfer, Nature Mat. 7, 179 (2008).[0pt] [2] M. Urdampilleta, S. Klyatskaya, J.P. Cleuziou, M. Ruben, W. Wernsdorfer, Nature Mat. 10, 502 (2011).

  12. Inelastic tunneling of electrons through a quantum dot with an embedded single molecular magnet

    Science.gov (United States)

    Chang, Bo; Liang, J.-Q.

    2010-06-01

    We report a theoretical analysis of electron transport through a quantum dot with an embedded biaxial single-molecule magnet (SMM) based on mapping of the many-body interaction-system onto a one-body problem by means of the non-equilibrium Green function technique. It is found that the conducting current exhibits a stepwise behavior and the nonlinear differential conductance displays additional peaks with variation of the sweeping speed and the magnitude of magnetic field. This observation can be interpreted by the interaction of electron-spin with the SMM and the quantum tunneling of magnetization. The inelastic conductance and the corresponding tunneling processes are investigated with normal as well as ferromagnetic electrodes. In the case of ferromagnetic configuration, the coupling to the SMM leads to an asymmetric tunneling magnetoresistance (TMR), which can be enhanced or suppressed greatly in certain regions. Moreover, a sudden TMR-switch with the variation of magnetic field is observed, which is seen to be caused by the inelastic tunneling.

  13. Inelastic tunneling of electrons through a quantum dot with an embedded single molecular magnet

    Energy Technology Data Exchange (ETDEWEB)

    Chang Bo [Institute of Theoretical Physics and Department of Physics, Shanxi University, Taiyuan, Shanxi 030006 (China); Liang, J.-Q., E-mail: jqliang@sxu.edu.c [Institute of Theoretical Physics and Department of Physics, Shanxi University, Taiyuan, Shanxi 030006 (China)

    2010-06-28

    We report a theoretical analysis of electron transport through a quantum dot with an embedded biaxial single-molecule magnet (SMM) based on mapping of the many-body interaction-system onto a one-body problem by means of the non-equilibrium Green function technique. It is found that the conducting current exhibits a stepwise behavior and the nonlinear differential conductance displays additional peaks with variation of the sweeping speed and the magnitude of magnetic field. This observation can be interpreted by the interaction of electron-spin with the SMM and the quantum tunneling of magnetization. The inelastic conductance and the corresponding tunneling processes are investigated with normal as well as ferromagnetic electrodes. In the case of ferromagnetic configuration, the coupling to the SMM leads to an asymmetric tunneling magnetoresistance (TMR), which can be enhanced or suppressed greatly in certain regions. Moreover, a sudden TMR-switch with the variation of magnetic field is observed, which is seen to be caused by the inelastic tunneling.

  14. Single-Molecular Imaging of Anticoagulation Factor I from Snake Venom by Atomic Force Microscopy

    Institute of Scientific and Technical Information of China (English)

    XU,Xiao-Long(徐小龙); ZHOU,Yun-Shen(周云申); LIU,Qing-Liang(刘清亮); HOU,Jian-Guo(侯建国); YANG,Jing-Long(杨金龙); XIE,Yong-Shu(解永树)

    2002-01-01

    Anticoagulation factor I (ACF I) from the venom of Agkistrodon acutus is a binding protein to activated coagulation factor X (FXa) and possesses marked anticoagulant activity. Single ACF I molecule has been successfully imaged in air by tapping mode atomic force microscopy (AFM) with high-resolution using glutaraldehyde as a coupling agent. The physical adsorption and covalent binding of ACF I onto the mica show very different surface topographies. The former exhibits the characteristic strand-like structure with much less reproducibility, the latter displays a elliptic granular structure with better reproducibility, which suggests that the stability of ACF I molecules on the mica is enhanced by covalent bonding in the presence of glutaraldehyde. A small-scale AFM amplitude-mode image clearly shows that the covalently bonded ACF I molecule by glutaraldehyde has olive shape structure with an average size of 7.4 nm× 3.6 nm × 3.1 nm, which is very similar to the size determined from the crystal structure of ACF I.

  15. Thermal conductivities of single- and multi-layer phosphorene: a molecular dynamics study.

    Science.gov (United States)

    Zhang, Ying-Yan; Pei, Qing-Xiang; Jiang, Jin-Wu; Wei, Ning; Zhang, Yong-Wei

    2016-01-07

    As a new two-dimensional (2D) material, phosphorene has drawn growing attention owing to its novel electronic properties, such as layer-dependent direct bandgaps and high carrier mobility. Herein we investigate the in-plane and cross-plane thermal conductivities of single- and multi-layer phosphorene, focusing on geometrical (sample size, orientation and layer number) and strain (compression and tension) effects. A strong anisotropy is found in the in-plane thermal conductivity with its value along the zigzag direction being much higher than that along the armchair direction. Interestingly, the in-plane thermal conductivity of multi-layer phosphorene is insensitive to the layer number, which is in strong contrast to that of graphene where the interlayer interactions strongly influence the thermal transport. Surprisingly, tensile strain leads to an anomalous increase in the in-plane thermal conductivity of phosphorene, in particular in the armchair direction. Both the in-plane and cross-plane thermal conductivities can be modulated by external strain; however, the strain modulation along the cross-plane direction is more effective and thus more tunable than that along the in-plane direction. Our findings here are of great importance for the thermal management in phosphorene-based nanoelectronic devices and for thermoelectric applications of phosphorene.

  16. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Science.gov (United States)

    Kanada, Ryo; Kuwata, Takeshi; Kenzaki, Hiroo; Takada, Shoji

    2013-01-01

    Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT) using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  17. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Directory of Open Access Journals (Sweden)

    Ryo Kanada

    Full Text Available Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  18. NIR-emitting molecular-based nanoparticles as new two-photon absorbing nanotools for single particle tracking

    Science.gov (United States)

    Daniel, J.; Godin, A. G.; Clermont, G.; Lounis, B.; Cognet, L.; Blanchard-Desce, M.

    2015-07-01

    In order to provide a green alternative to QDs for bioimaging purposes and aiming at designing bright nanoparticles combining both large one- and two-photon brightness, a bottom-up route based on the molecular engineering of dedicated red to NIR emitting dyes that spontaneously form fluorescent organic nanoparticles (FONs) has been implemented. These fully organic nanoparticles built from original quadrupolar dyes are prepared using a simple, expeditious and green protocol that yield very small molecular-based nanoparticles (radius ~ 7 nm) suspension in water showing a nice NIR emission (λem=710 nm). These FONs typically have absorption coefficient more than two orders larger than popular NIR-emitting dyes (such as Alexa Fluor 700, Cy5.5 ….) and much larger Stokes shift values (i.e. up to over 5500 cm-1). They also show very large two-photon absorption response in the 800-1050 nm region (up to about 106 GM) of major promise for two-photon excited fluorescence microscopy. Thanks to their brightness and enhanced photostability, these FONs could be imaged as isolated nanoparticles and tracked using wide-field imaging. As such, thanks to their size and composition (absence of heavy metals), they represent highly promising alternatives to NIR-emitting QDs for use in bioimaging and single particle tracking applications. Moreover, efficient FONs coating was achieved by using a polymeric additive built from a long hydrophobic (PPO) and a short hydrophilic (PEO) segment and having a cationic head group able to interact with the highly negative surface of FONs. This electrostatically-driven interaction promotes both photoluminescence and two-photon absorption enhancement leading to an increase of two-photon brightness of about one order of magnitude. This opens the way to wide-field single particle tracking under two-photon excitation

  19. Integrated nanoplasmonic quantum interfaces for room-temperature single-photon sources

    Science.gov (United States)

    Peyskens, Frédéric; Englund, Dirk; Chang, Darrick

    2017-12-01

    We describe a general analytical framework of a nanoplasmonic cavity-emitter system interacting with a dielectric photonic waveguide. Taking into account emitter quenching and dephasing, our model directly reveals the single-photon extraction efficiency η as well as the indistinguishability I of photons coupled into the waveguide mode. Rather than minimizing the cavity modal volume, our analysis predicts an optimum modal volume to maximize η that balances waveguide coupling and spontaneous emission rate enhancement. Surprisingly, our model predicts that near-unity indistinguishability is possible, but this requires a much smaller modal volume, implying a fundamental performance trade-off between high η and I at room temperature. Finally, we show that maximizing η I requires that the system has to be driven in the weak coupling regime because quenching effects and decreased waveguide coupling drastically reduce η in the strong coupling regime.

  20. Novel Directional Nanoantennas for Single-Emitter Sources and Wireless Nano-Links

    Directory of Open Access Journals (Sweden)

    Maciej Klemm

    2012-01-01

    Full Text Available Optical nanoantennas are emerging as one of the key components in the future nanophotonic and plasmonic circuits. The first optical nanoantennas were in a form of simple spherical nanoparticles. Recently more complex Yagi-Uda nanoantenna structures were demonstrated. These nanoantennas enhance radiation of single emitters and provide well-defined directional radiation. In this contribution, we present the novel design of the directional nanoantenna, which is excited from the propagating mode of the plasmonic waveguide. The nanoantenna design is based on the travelling wave principle, well known at RF/microwave frequencies. By properly designing the propagating parts of the nanoantenna, a very efficient coupling to free space wave impedance can be achieved. Furthermore, the control over the radiation direction and beam width is relatively easy with this nanoantenna. Compared to the previously published Yagi-Uda designs, the new nanoantenna presented in this work has directivity three times higher.